----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:58:04]------------------------- 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 1.939280689999999 -6.836729960000000 0.000000000000000 b 1.939280689999999 6.836729960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.184486470000000 Atomic positions (fractional): *1 S 0.66653609369439 0.33346390630561 0.57027732220413 32.065 2 S 0.33346390630560 0.66653609369440 0.42972267779587 32.065 3 S 0.33346390630560 0.66653609369440 0.07027732220413 32.065 4 S 0.66653609369439 0.33346390630561 0.92972267779587 32.065 *5 S 0.73938268241602 0.26061731758398 0.25000000000000 32.065 6 S 0.26061731758398 0.73938268241602 0.75000000000000 32.065 *7 S 0.06013663455514 0.93986336544486 0.11410944051152 32.065 8 S 0.06013663455514 0.93986336544486 0.38589055948848 32.065 9 S 0.93986336544486 0.06013663455514 0.88589055948848 32.065 10 S 0.93986336544486 0.06013663455514 0.61410944051152 32.065 *11 Cu 0.08486215532794 0.91513784467206 0.96576775429819 63.546 12 Cu 0.91513784467206 0.08486215532794 0.03423224570181 63.546 13 Cu 0.91513784467206 0.08486215532794 0.46576775429819 63.546 *14 Cu 0.84584622543030 0.15415377456970 0.75000000000000 63.546 15 Cu 0.15415377456970 0.84584622543030 0.25000000000000 63.546 16 Cu 0.08486215532794 0.91513784467206 0.53423224570181 63.546 *17 Rb 0.56445149799383 0.43554850200617 0.75000000000000 85.468 18 Rb 0.43554850200617 0.56445149799383 0.25000000000000 85.468 *19 Ho 0.30737987722536 0.69262012277464 0.59273830924881 164.930 20 Ho 0.69262012277464 0.30737987722536 0.40726169075119 164.930 21 Ho 0.30737987722536 0.69262012277464 0.90726169075119 164.930 22 Ho 0.69262012277464 0.30737987722536 0.09273830924881 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.878561379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.673459920000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.184486470000000 Atomic positions (fractional): *1 S 0.00000000000000 0.33346390630561 0.57027732220413 32.065 > 1 2 S 0.50000000000000 0.16653609369440 0.42972267779587 32.065 > 2 3 S 0.50000000000000 0.16653609369440 0.07027732220413 32.065 > 3 4 S 0.00000000000000 0.33346390630561 0.92972267779587 32.065 > 4 *5 S 0.00000000000000 0.26061731758398 0.25000000000000 32.065 > 5 6 S 0.50000000000000 0.23938268241602 0.75000000000000 32.065 > 6 *7 S 0.50000000000000 0.43986336544486 0.11410944051152 32.065 > 7 8 S 0.50000000000000 0.43986336544486 0.38589055948848 32.065 > 8 9 S 0.00000000000000 0.06013663455514 0.88589055948848 32.065 > 9 10 S 0.00000000000000 0.06013663455514 0.61410944051152 32.065 > 10 11 S 0.50000000000000 0.83346390630560 0.57027732220413 32.065 > 1 12 S 0.00000000000000 0.66653609369440 0.42972267779587 32.065 > 2 13 S 0.00000000000000 0.66653609369440 0.07027732220413 32.065 > 3 14 S 0.50000000000000 0.83346390630560 0.92972267779587 32.065 > 4 15 S 0.50000000000000 0.76061731758398 0.25000000000000 32.065 > 5 16 S 0.00000000000000 0.73938268241602 0.75000000000000 32.065 > 6 17 S 0.00000000000000 0.93986336544486 0.11410944051152 32.065 > 7 18 S 0.00000000000000 0.93986336544486 0.38589055948848 32.065 > 8 19 S 0.50000000000000 0.56013663455514 0.88589055948848 32.065 > 9 20 S 0.50000000000000 0.56013663455514 0.61410944051152 32.065 > 10 *21 Cu 0.50000000000000 0.41513784467206 0.96576775429819 63.546 > 11 22 Cu 0.00000000000000 0.08486215532794 0.03423224570181 63.546 > 12 23 Cu 0.00000000000000 0.08486215532794 0.46576775429819 63.546 > 13 *24 Cu 0.00000000000000 0.15415377456970 0.75000000000000 63.546 > 14 25 Cu 0.50000000000000 0.34584622543030 0.25000000000000 63.546 > 15 26 Cu 0.50000000000000 0.41513784467206 0.53423224570181 63.546 > 16 27 Cu 0.00000000000000 0.91513784467206 0.96576775429819 63.546 > 11 28 Cu 0.50000000000000 0.58486215532794 0.03423224570181 63.546 > 12 29 Cu 0.50000000000000 0.58486215532794 0.46576775429819 63.546 > 13 30 Cu 0.50000000000000 0.65415377456970 0.75000000000000 63.546 > 14 31 Cu 0.00000000000000 0.84584622543030 0.25000000000000 63.546 > 15 32 Cu 0.00000000000000 0.91513784467206 0.53423224570181 63.546 > 16 *33 Rb 0.00000000000000 0.43554850200617 0.75000000000000 85.468 > 17 34 Rb 0.50000000000000 0.06445149799383 0.25000000000000 85.468 > 18 35 Rb 0.50000000000000 0.93554850200617 0.75000000000000 85.468 > 17 36 Rb 0.00000000000000 0.56445149799383 0.25000000000000 85.468 > 18 *37 Ho 0.50000000000000 0.19262012277464 0.59273830924881 164.930 > 19 38 Ho 0.00000000000000 0.30737987722536 0.40726169075119 164.930 > 20 39 Ho 0.50000000000000 0.19262012277464 0.90726169075119 164.930 > 21 40 Ho 0.00000000000000 0.30737987722536 0.09273830924881 164.930 > 22 41 Ho 0.00000000000000 0.69262012277464 0.59273830924881 164.930 > 19 42 Ho 0.50000000000000 0.80737987722536 0.40726169075119 164.930 > 20 43 Ho 0.00000000000000 0.69262012277464 0.90726169075119 164.930 > 21 44 Ho 0.50000000000000 0.80737987722536 0.09273830924881 164.930 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.635684139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.673459920000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.184486470000000 Atomic positions (fractional): *1 S 0.00000000000000 0.33346390630561 0.57027732220413 32.065 > 1 2 S 0.33333333333333 0.33346390630561 0.57027732220413 32.065 > 1 3 S 0.66666666666667 0.33346390630561 0.57027732220413 32.065 > 1 4 S 0.16666666666667 0.16653609369440 0.42972267779587 32.065 > 2 5 S 0.50000000000000 0.16653609369440 0.42972267779587 32.065 > 2 6 S 0.83333333333333 0.16653609369440 0.42972267779587 32.065 > 2 7 S 0.16666666666667 0.16653609369440 0.07027732220413 32.065 > 3 8 S 0.50000000000000 0.16653609369440 0.07027732220413 32.065 > 3 9 S 0.83333333333333 0.16653609369440 0.07027732220413 32.065 > 3 10 S 0.00000000000000 0.33346390630561 0.92972267779587 32.065 > 4 11 S 0.33333333333333 0.33346390630561 0.92972267779587 32.065 > 4 12 S 0.66666666666667 0.33346390630561 0.92972267779587 32.065 > 4 *13 S 0.00000000000000 0.26061731758398 0.25000000000000 32.065 > 5 14 S 0.33333333333333 0.26061731758398 0.25000000000000 32.065 > 5 15 S 0.66666666666667 0.26061731758398 0.25000000000000 32.065 > 5 16 S 0.16666666666667 0.23938268241602 0.75000000000000 32.065 > 6 17 S 0.50000000000000 0.23938268241602 0.75000000000000 32.065 > 6 18 S 0.83333333333333 0.23938268241602 0.75000000000000 32.065 > 6 *19 S 0.16666666666667 0.43986336544486 0.11410944051152 32.065 > 7 20 S 0.50000000000000 0.43986336544486 0.11410944051152 32.065 > 7 21 S 0.83333333333333 0.43986336544486 0.11410944051152 32.065 > 7 22 S 0.16666666666667 0.43986336544486 0.38589055948848 32.065 > 8 23 S 0.50000000000000 0.43986336544486 0.38589055948848 32.065 > 8 24 S 0.83333333333333 0.43986336544486 0.38589055948848 32.065 > 8 25 S 0.00000000000000 0.06013663455514 0.88589055948848 32.065 > 9 26 S 0.33333333333333 0.06013663455514 0.88589055948848 32.065 > 9 27 S 0.66666666666667 0.06013663455514 0.88589055948848 32.065 > 9 28 S 0.00000000000000 0.06013663455514 0.61410944051152 32.065 > 10 29 S 0.33333333333333 0.06013663455514 0.61410944051152 32.065 > 10 30 S 0.66666666666667 0.06013663455514 0.61410944051152 32.065 > 10 31 S 0.16666666666667 0.83346390630560 0.57027732220413 32.065 > 1 32 S 0.50000000000000 0.83346390630560 0.57027732220413 32.065 > 1 33 S 0.83333333333333 0.83346390630560 0.57027732220413 32.065 > 1 34 S 0.00000000000000 0.66653609369440 0.42972267779587 32.065 > 2 35 S 0.33333333333333 0.66653609369440 0.42972267779587 32.065 > 2 36 S 0.66666666666667 0.66653609369440 0.42972267779587 32.065 > 2 37 S 0.00000000000000 0.66653609369440 0.07027732220413 32.065 > 3 38 S 0.33333333333333 0.66653609369440 0.07027732220413 32.065 > 3 39 S 0.66666666666667 0.66653609369440 0.07027732220413 32.065 > 3 40 S 0.16666666666667 0.83346390630560 0.92972267779587 32.065 > 4 41 S 0.50000000000000 0.83346390630560 0.92972267779587 32.065 > 4 42 S 0.83333333333333 0.83346390630560 0.92972267779587 32.065 > 4 43 S 0.16666666666667 0.76061731758398 0.25000000000000 32.065 > 5 44 S 0.50000000000000 0.76061731758398 0.25000000000000 32.065 > 5 45 S 0.83333333333333 0.76061731758398 0.25000000000000 32.065 > 5 46 S 0.00000000000000 0.73938268241602 0.75000000000000 32.065 > 6 47 S 0.33333333333333 0.73938268241602 0.75000000000000 32.065 > 6 48 S 0.66666666666667 0.73938268241602 0.75000000000000 32.065 > 6 49 S 0.00000000000000 0.93986336544486 0.11410944051152 32.065 > 7 50 S 0.33333333333333 0.93986336544486 0.11410944051152 32.065 > 7 51 S 0.66666666666667 0.93986336544486 0.11410944051152 32.065 > 7 52 S 0.00000000000000 0.93986336544486 0.38589055948848 32.065 > 8 53 S 0.33333333333333 0.93986336544486 0.38589055948848 32.065 > 8 54 S 0.66666666666667 0.93986336544486 0.38589055948848 32.065 > 8 55 S 0.16666666666667 0.56013663455514 0.88589055948848 32.065 > 9 56 S 0.50000000000000 0.56013663455514 0.88589055948848 32.065 > 9 57 S 0.83333333333333 0.56013663455514 0.88589055948848 32.065 > 9 58 S 0.16666666666667 0.56013663455514 0.61410944051152 32.065 > 10 59 S 0.50000000000000 0.56013663455514 0.61410944051152 32.065 > 10 60 S 0.83333333333333 0.56013663455514 0.61410944051152 32.065 > 10 *61 Cu 0.16666666666667 0.41513784467206 0.96576775429819 63.546 > 11 62 Cu 0.50000000000000 0.41513784467206 0.96576775429819 63.546 > 11 63 Cu 0.83333333333333 0.41513784467206 0.96576775429819 63.546 > 11 64 Cu 0.00000000000000 0.08486215532794 0.03423224570181 63.546 > 12 65 Cu 0.33333333333333 0.08486215532794 0.03423224570181 63.546 > 12 66 Cu 0.66666666666667 0.08486215532794 0.03423224570181 63.546 > 12 67 Cu 0.00000000000000 0.08486215532794 0.46576775429819 63.546 > 13 68 Cu 0.33333333333333 0.08486215532794 0.46576775429819 63.546 > 13 69 Cu 0.66666666666667 0.08486215532794 0.46576775429819 63.546 > 13 *70 Cu 0.00000000000000 0.15415377456970 0.75000000000000 63.546 > 14 71 Cu 0.33333333333333 0.15415377456970 0.75000000000000 63.546 > 14 72 Cu 0.66666666666667 0.15415377456970 0.75000000000000 63.546 > 14 73 Cu 0.16666666666667 0.34584622543030 0.25000000000000 63.546 > 15 74 Cu 0.50000000000000 0.34584622543030 0.25000000000000 63.546 > 15 75 Cu 0.83333333333333 0.34584622543030 0.25000000000000 63.546 > 15 76 Cu 0.16666666666667 0.41513784467206 0.53423224570181 63.546 > 16 77 Cu 0.50000000000000 0.41513784467206 0.53423224570181 63.546 > 16 78 Cu 0.83333333333333 0.41513784467206 0.53423224570181 63.546 > 16 79 Cu 0.00000000000000 0.91513784467206 0.96576775429819 63.546 > 11 80 Cu 0.33333333333333 0.91513784467206 0.96576775429819 63.546 > 11 81 Cu 0.66666666666667 0.91513784467206 0.96576775429819 63.546 > 11 82 Cu 0.16666666666667 0.58486215532794 0.03423224570181 63.546 > 12 83 Cu 0.50000000000000 0.58486215532794 0.03423224570181 63.546 > 12 84 Cu 0.83333333333333 0.58486215532794 0.03423224570181 63.546 > 12 85 Cu 0.16666666666667 0.58486215532794 0.46576775429819 63.546 > 13 86 Cu 0.50000000000000 0.58486215532794 0.46576775429819 63.546 > 13 87 Cu 0.83333333333333 0.58486215532794 0.46576775429819 63.546 > 13 88 Cu 0.16666666666667 0.65415377456970 0.75000000000000 63.546 > 14 89 Cu 0.50000000000000 0.65415377456970 0.75000000000000 63.546 > 14 90 Cu 0.83333333333333 0.65415377456970 0.75000000000000 63.546 > 14 91 Cu 0.00000000000000 0.84584622543030 0.25000000000000 63.546 > 15 92 Cu 0.33333333333333 0.84584622543030 0.25000000000000 63.546 > 15 93 Cu 0.66666666666667 0.84584622543030 0.25000000000000 63.546 > 15 94 Cu 0.00000000000000 0.91513784467206 0.53423224570181 63.546 > 16 95 Cu 0.33333333333333 0.91513784467206 0.53423224570181 63.546 > 16 96 Cu 0.66666666666667 0.91513784467206 0.53423224570181 63.546 > 16 *97 Rb 0.00000000000000 0.43554850200617 0.75000000000000 85.468 > 17 98 Rb 0.33333333333333 0.43554850200617 0.75000000000000 85.468 > 17 99 Rb 0.66666666666667 0.43554850200617 0.75000000000000 85.468 > 17 100 Rb 0.16666666666667 0.06445149799383 0.25000000000000 85.468 > 18 101 Rb 0.50000000000000 0.06445149799383 0.25000000000000 85.468 > 18 102 Rb 0.83333333333333 0.06445149799383 0.25000000000000 85.468 > 18 103 Rb 0.16666666666667 0.93554850200617 0.75000000000000 85.468 > 17 104 Rb 0.50000000000000 0.93554850200617 0.75000000000000 85.468 > 17 105 Rb 0.83333333333333 0.93554850200617 0.75000000000000 85.468 > 17 106 Rb 0.00000000000000 0.56445149799383 0.25000000000000 85.468 > 18 107 Rb 0.33333333333333 0.56445149799383 0.25000000000000 85.468 > 18 108 Rb 0.66666666666667 0.56445149799383 0.25000000000000 85.468 > 18 *109 Ho 0.16666666666667 0.19262012277464 0.59273830924881 164.930 > 19 110 Ho 0.50000000000000 0.19262012277464 0.59273830924881 164.930 > 19 111 Ho 0.83333333333333 0.19262012277464 0.59273830924881 164.930 > 19 112 Ho 0.00000000000000 0.30737987722536 0.40726169075119 164.930 > 20 113 Ho 0.33333333333333 0.30737987722536 0.40726169075119 164.930 > 20 114 Ho 0.66666666666667 0.30737987722536 0.40726169075119 164.930 > 20 115 Ho 0.16666666666667 0.19262012277464 0.90726169075119 164.930 > 21 116 Ho 0.50000000000000 0.19262012277464 0.90726169075119 164.930 > 21 117 Ho 0.83333333333333 0.19262012277464 0.90726169075119 164.930 > 21 118 Ho 0.00000000000000 0.30737987722536 0.09273830924881 164.930 > 22 119 Ho 0.33333333333333 0.30737987722536 0.09273830924881 164.930 > 22 120 Ho 0.66666666666667 0.30737987722536 0.09273830924881 164.930 > 22 121 Ho 0.00000000000000 0.69262012277464 0.59273830924881 164.930 > 19 122 Ho 0.33333333333333 0.69262012277464 0.59273830924881 164.930 > 19 123 Ho 0.66666666666667 0.69262012277464 0.59273830924881 164.930 > 19 124 Ho 0.16666666666667 0.80737987722536 0.40726169075119 164.930 > 20 125 Ho 0.50000000000000 0.80737987722536 0.40726169075119 164.930 > 20 126 Ho 0.83333333333333 0.80737987722536 0.40726169075119 164.930 > 20 127 Ho 0.00000000000000 0.69262012277464 0.90726169075119 164.930 > 21 128 Ho 0.33333333333333 0.69262012277464 0.90726169075119 164.930 > 21 129 Ho 0.66666666666667 0.69262012277464 0.90726169075119 164.930 > 21 130 Ho 0.16666666666667 0.80737987722536 0.09273830924881 164.930 > 22 131 Ho 0.50000000000000 0.80737987722536 0.09273830924881 164.930 > 22 132 Ho 0.83333333333333 0.80737987722536 0.09273830924881 164.930 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8980710 0.0000000 0.0000000 0.0000000 7.7699949 0.0000000 0.0000000 0.0000000 9.1405378 -------------------------- Born effective charges -------------------------- 1 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 0.1938536 0.0000000 0.3425652 -2.1087184 2 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 0.1938536 0.0000000 0.3425652 -2.1087184 3 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 -0.1938536 0.0000000 -0.3425652 -2.1087184 4 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 -0.1938536 0.0000000 -0.3425652 -2.1087184 5 S -1.4926550 0.0000000 0.0000000 0.0000000 -1.6527899 0.0000000 0.0000000 0.0000000 -4.0963702 6 S -1.4926550 0.0000000 0.0000000 0.0000000 -1.6527899 0.0000000 0.0000000 0.0000000 -4.0963702 7 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 -0.0410864 0.0000000 0.4582114 -2.4019012 8 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 0.0410864 0.0000000 -0.4582114 -2.4019012 9 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 -0.0410864 0.0000000 0.4582114 -2.4019012 10 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 0.0410864 0.0000000 -0.4582114 -2.4019012 11 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 -0.3640737 0.0000000 -0.2403683 0.8675352 12 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 -0.3640737 0.0000000 -0.2403683 0.8675352 13 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 0.3640737 0.0000000 0.2403683 0.8675352 14 Cu 0.4732869 0.0000000 0.0000000 0.0000000 0.4530830 0.0000000 0.0000000 0.0000000 1.2018671 15 Cu 0.4732869 0.0000000 0.0000000 0.0000000 0.4530830 0.0000000 0.0000000 0.0000000 1.2018671 16 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 0.3640737 0.0000000 0.2403683 0.8675352 17 Rb 1.0794551 0.0000000 0.0000000 0.0000000 1.4850826 0.0000000 0.0000000 0.0000000 1.6421379 18 Rb 1.0794551 0.0000000 0.0000000 0.0000000 1.4850826 0.0000000 0.0000000 0.0000000 1.6421379 19 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 -0.9009926 0.0000000 -0.0947193 4.2692669 20 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 -0.9009926 0.0000000 -0.0947193 4.2692669 21 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 0.9009926 0.0000000 0.0947193 4.2692669 22 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 0.9009926 0.0000000 0.0947193 4.2692669 ---------------------------------------------------------------------------- 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: 3.399 Solver_block: 200 / 400 - Time: 3.391 Solver_block: 300 / 400 - Time: 3.387 Solver_block: 400 / 400 - Time: 3.391 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.620 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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 (yy) -0.00000000 (yy) 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 03:58:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:58:38]------------------------- 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 1.939280689999999 -6.836729960000000 0.000000000000000 b 1.939280689999999 6.836729960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.184486470000000 Atomic positions (fractional): 1 S 0.66653609369439 0.33346390630561 0.57027732220413 32.065 2 S 0.33346390630560 0.66653609369440 0.42972267779587 32.065 3 S 0.33346390630560 0.66653609369440 0.07027732220413 32.065 4 S 0.66653609369439 0.33346390630561 0.92972267779587 32.065 5 S 0.73938268241602 0.26061731758398 0.25000000000000 32.065 6 S 0.26061731758398 0.73938268241602 0.75000000000000 32.065 7 S 0.06013663455514 0.93986336544486 0.11410944051152 32.065 8 S 0.06013663455514 0.93986336544486 0.38589055948848 32.065 9 S 0.93986336544486 0.06013663455514 0.88589055948848 32.065 10 S 0.93986336544486 0.06013663455514 0.61410944051152 32.065 11 Cu 0.08486215532794 0.91513784467206 0.96576775429819 63.546 12 Cu 0.91513784467206 0.08486215532794 0.03423224570181 63.546 13 Cu 0.91513784467206 0.08486215532794 0.46576775429819 63.546 14 Cu 0.84584622543030 0.15415377456970 0.75000000000000 63.546 15 Cu 0.15415377456970 0.84584622543030 0.25000000000000 63.546 16 Cu 0.08486215532794 0.91513784467206 0.53423224570181 63.546 17 Rb 0.56445149799383 0.43554850200617 0.75000000000000 85.468 18 Rb 0.43554850200617 0.56445149799383 0.25000000000000 85.468 19 Ho 0.30737987722536 0.69262012277464 0.59273830924881 164.930 20 Ho 0.69262012277464 0.30737987722536 0.40726169075119 164.930 21 Ho 0.30737987722536 0.69262012277464 0.90726169075119 164.930 22 Ho 0.69262012277464 0.30737987722536 0.09273830924881 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.635684139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.673459920000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.184486470000000 Atomic positions (fractional): 1 S 0.00000000000000 0.33346390630561 0.57027732220413 32.065 > 1 2 S 0.33333333333333 0.33346390630561 0.57027732220413 32.065 > 1 3 S 0.66666666666667 0.33346390630561 0.57027732220413 32.065 > 1 4 S 0.16666666666667 0.16653609369440 0.42972267779587 32.065 > 4 5 S 0.50000000000000 0.16653609369440 0.42972267779587 32.065 > 4 6 S 0.83333333333333 0.16653609369440 0.42972267779587 32.065 > 4 7 S 0.16666666666667 0.16653609369440 0.07027732220413 32.065 > 7 8 S 0.50000000000000 0.16653609369440 0.07027732220413 32.065 > 7 9 S 0.83333333333333 0.16653609369440 0.07027732220413 32.065 > 7 10 S 0.00000000000000 0.33346390630561 0.92972267779587 32.065 > 10 11 S 0.33333333333333 0.33346390630561 0.92972267779587 32.065 > 10 12 S 0.66666666666667 0.33346390630561 0.92972267779587 32.065 > 10 13 S 0.00000000000000 0.26061731758398 0.25000000000000 32.065 > 13 14 S 0.33333333333333 0.26061731758398 0.25000000000000 32.065 > 13 15 S 0.66666666666667 0.26061731758398 0.25000000000000 32.065 > 13 16 S 0.16666666666667 0.23938268241602 0.75000000000000 32.065 > 16 17 S 0.50000000000000 0.23938268241602 0.75000000000000 32.065 > 16 18 S 0.83333333333333 0.23938268241602 0.75000000000000 32.065 > 16 19 S 0.16666666666667 0.43986336544486 0.11410944051152 32.065 > 19 20 S 0.50000000000000 0.43986336544486 0.11410944051152 32.065 > 19 21 S 0.83333333333333 0.43986336544486 0.11410944051152 32.065 > 19 22 S 0.16666666666667 0.43986336544486 0.38589055948848 32.065 > 22 23 S 0.50000000000000 0.43986336544486 0.38589055948848 32.065 > 22 24 S 0.83333333333333 0.43986336544486 0.38589055948848 32.065 > 22 25 S 0.00000000000000 0.06013663455514 0.88589055948848 32.065 > 25 26 S 0.33333333333333 0.06013663455514 0.88589055948848 32.065 > 25 27 S 0.66666666666667 0.06013663455514 0.88589055948848 32.065 > 25 28 S 0.00000000000000 0.06013663455514 0.61410944051152 32.065 > 28 29 S 0.33333333333333 0.06013663455514 0.61410944051152 32.065 > 28 30 S 0.66666666666667 0.06013663455514 0.61410944051152 32.065 > 28 31 S 0.16666666666667 0.83346390630560 0.57027732220413 32.065 > 1 32 S 0.50000000000000 0.83346390630560 0.57027732220413 32.065 > 1 33 S 0.83333333333333 0.83346390630560 0.57027732220413 32.065 > 1 34 S 0.00000000000000 0.66653609369440 0.42972267779587 32.065 > 4 35 S 0.33333333333333 0.66653609369440 0.42972267779587 32.065 > 4 36 S 0.66666666666667 0.66653609369440 0.42972267779587 32.065 > 4 37 S 0.00000000000000 0.66653609369440 0.07027732220413 32.065 > 7 38 S 0.33333333333333 0.66653609369440 0.07027732220413 32.065 > 7 39 S 0.66666666666667 0.66653609369440 0.07027732220413 32.065 > 7 40 S 0.16666666666667 0.83346390630560 0.92972267779587 32.065 > 10 41 S 0.50000000000000 0.83346390630560 0.92972267779587 32.065 > 10 42 S 0.83333333333333 0.83346390630560 0.92972267779587 32.065 > 10 43 S 0.16666666666667 0.76061731758398 0.25000000000000 32.065 > 13 44 S 0.50000000000000 0.76061731758398 0.25000000000000 32.065 > 13 45 S 0.83333333333333 0.76061731758398 0.25000000000000 32.065 > 13 46 S 0.00000000000000 0.73938268241602 0.75000000000000 32.065 > 16 47 S 0.33333333333333 0.73938268241602 0.75000000000000 32.065 > 16 48 S 0.66666666666667 0.73938268241602 0.75000000000000 32.065 > 16 49 S 0.00000000000000 0.93986336544486 0.11410944051152 32.065 > 19 50 S 0.33333333333333 0.93986336544486 0.11410944051152 32.065 > 19 51 S 0.66666666666667 0.93986336544486 0.11410944051152 32.065 > 19 52 S 0.00000000000000 0.93986336544486 0.38589055948848 32.065 > 22 53 S 0.33333333333333 0.93986336544486 0.38589055948848 32.065 > 22 54 S 0.66666666666667 0.93986336544486 0.38589055948848 32.065 > 22 55 S 0.16666666666667 0.56013663455514 0.88589055948848 32.065 > 25 56 S 0.50000000000000 0.56013663455514 0.88589055948848 32.065 > 25 57 S 0.83333333333333 0.56013663455514 0.88589055948848 32.065 > 25 58 S 0.16666666666667 0.56013663455514 0.61410944051152 32.065 > 28 59 S 0.50000000000000 0.56013663455514 0.61410944051152 32.065 > 28 60 S 0.83333333333333 0.56013663455514 0.61410944051152 32.065 > 28 61 Cu 0.16666666666667 0.41513784467206 0.96576775429819 63.546 > 61 62 Cu 0.50000000000000 0.41513784467206 0.96576775429819 63.546 > 61 63 Cu 0.83333333333333 0.41513784467206 0.96576775429819 63.546 > 61 64 Cu 0.00000000000000 0.08486215532794 0.03423224570181 63.546 > 64 65 Cu 0.33333333333333 0.08486215532794 0.03423224570181 63.546 > 64 66 Cu 0.66666666666667 0.08486215532794 0.03423224570181 63.546 > 64 67 Cu 0.00000000000000 0.08486215532794 0.46576775429819 63.546 > 67 68 Cu 0.33333333333333 0.08486215532794 0.46576775429819 63.546 > 67 69 Cu 0.66666666666667 0.08486215532794 0.46576775429819 63.546 > 67 70 Cu 0.00000000000000 0.15415377456970 0.75000000000000 63.546 > 70 71 Cu 0.33333333333333 0.15415377456970 0.75000000000000 63.546 > 70 72 Cu 0.66666666666667 0.15415377456970 0.75000000000000 63.546 > 70 73 Cu 0.16666666666667 0.34584622543030 0.25000000000000 63.546 > 73 74 Cu 0.50000000000000 0.34584622543030 0.25000000000000 63.546 > 73 75 Cu 0.83333333333333 0.34584622543030 0.25000000000000 63.546 > 73 76 Cu 0.16666666666667 0.41513784467206 0.53423224570181 63.546 > 76 77 Cu 0.50000000000000 0.41513784467206 0.53423224570181 63.546 > 76 78 Cu 0.83333333333333 0.41513784467206 0.53423224570181 63.546 > 76 79 Cu 0.00000000000000 0.91513784467206 0.96576775429819 63.546 > 61 80 Cu 0.33333333333333 0.91513784467206 0.96576775429819 63.546 > 61 81 Cu 0.66666666666667 0.91513784467206 0.96576775429819 63.546 > 61 82 Cu 0.16666666666667 0.58486215532794 0.03423224570181 63.546 > 64 83 Cu 0.50000000000000 0.58486215532794 0.03423224570181 63.546 > 64 84 Cu 0.83333333333333 0.58486215532794 0.03423224570181 63.546 > 64 85 Cu 0.16666666666667 0.58486215532794 0.46576775429819 63.546 > 67 86 Cu 0.50000000000000 0.58486215532794 0.46576775429819 63.546 > 67 87 Cu 0.83333333333333 0.58486215532794 0.46576775429819 63.546 > 67 88 Cu 0.16666666666667 0.65415377456970 0.75000000000000 63.546 > 70 89 Cu 0.50000000000000 0.65415377456970 0.75000000000000 63.546 > 70 90 Cu 0.83333333333333 0.65415377456970 0.75000000000000 63.546 > 70 91 Cu 0.00000000000000 0.84584622543030 0.25000000000000 63.546 > 73 92 Cu 0.33333333333333 0.84584622543030 0.25000000000000 63.546 > 73 93 Cu 0.66666666666667 0.84584622543030 0.25000000000000 63.546 > 73 94 Cu 0.00000000000000 0.91513784467206 0.53423224570181 63.546 > 76 95 Cu 0.33333333333333 0.91513784467206 0.53423224570181 63.546 > 76 96 Cu 0.66666666666667 0.91513784467206 0.53423224570181 63.546 > 76 97 Rb 0.00000000000000 0.43554850200617 0.75000000000000 85.468 > 97 98 Rb 0.33333333333333 0.43554850200617 0.75000000000000 85.468 > 97 99 Rb 0.66666666666667 0.43554850200617 0.75000000000000 85.468 > 97 100 Rb 0.16666666666667 0.06445149799383 0.25000000000000 85.468 > 100 101 Rb 0.50000000000000 0.06445149799383 0.25000000000000 85.468 > 100 102 Rb 0.83333333333333 0.06445149799383 0.25000000000000 85.468 > 100 103 Rb 0.16666666666667 0.93554850200617 0.75000000000000 85.468 > 97 104 Rb 0.50000000000000 0.93554850200617 0.75000000000000 85.468 > 97 105 Rb 0.83333333333333 0.93554850200617 0.75000000000000 85.468 > 97 106 Rb 0.00000000000000 0.56445149799383 0.25000000000000 85.468 > 100 107 Rb 0.33333333333333 0.56445149799383 0.25000000000000 85.468 > 100 108 Rb 0.66666666666667 0.56445149799383 0.25000000000000 85.468 > 100 109 Ho 0.16666666666667 0.19262012277464 0.59273830924881 164.930 > 109 110 Ho 0.50000000000000 0.19262012277464 0.59273830924881 164.930 > 109 111 Ho 0.83333333333333 0.19262012277464 0.59273830924881 164.930 > 109 112 Ho 0.00000000000000 0.30737987722536 0.40726169075119 164.930 > 112 113 Ho 0.33333333333333 0.30737987722536 0.40726169075119 164.930 > 112 114 Ho 0.66666666666667 0.30737987722536 0.40726169075119 164.930 > 112 115 Ho 0.16666666666667 0.19262012277464 0.90726169075119 164.930 > 115 116 Ho 0.50000000000000 0.19262012277464 0.90726169075119 164.930 > 115 117 Ho 0.83333333333333 0.19262012277464 0.90726169075119 164.930 > 115 118 Ho 0.00000000000000 0.30737987722536 0.09273830924881 164.930 > 118 119 Ho 0.33333333333333 0.30737987722536 0.09273830924881 164.930 > 118 120 Ho 0.66666666666667 0.30737987722536 0.09273830924881 164.930 > 118 121 Ho 0.00000000000000 0.69262012277464 0.59273830924881 164.930 > 109 122 Ho 0.33333333333333 0.69262012277464 0.59273830924881 164.930 > 109 123 Ho 0.66666666666667 0.69262012277464 0.59273830924881 164.930 > 109 124 Ho 0.16666666666667 0.80737987722536 0.40726169075119 164.930 > 112 125 Ho 0.50000000000000 0.80737987722536 0.40726169075119 164.930 > 112 126 Ho 0.83333333333333 0.80737987722536 0.40726169075119 164.930 > 112 127 Ho 0.00000000000000 0.69262012277464 0.90726169075119 164.930 > 115 128 Ho 0.33333333333333 0.69262012277464 0.90726169075119 164.930 > 115 129 Ho 0.66666666666667 0.69262012277464 0.90726169075119 164.930 > 115 130 Ho 0.16666666666667 0.80737987722536 0.09273830924881 164.930 > 118 131 Ho 0.50000000000000 0.80737987722536 0.09273830924881 164.930 > 118 132 Ho 0.83333333333333 0.80737987722536 0.09273830924881 164.930 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8980710 0.0000000 0.0000000 0.0000000 7.7699949 0.0000000 0.0000000 0.0000000 9.1405378 -------------------------- Born effective charges -------------------------- 1 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 0.1938536 0.0000000 0.3425652 -2.1087184 2 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 0.1938536 0.0000000 0.3425652 -2.1087184 3 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 -0.1938536 0.0000000 -0.3425652 -2.1087184 4 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 -0.1938536 0.0000000 -0.3425652 -2.1087184 5 S -1.4926550 0.0000000 0.0000000 0.0000000 -1.6527899 0.0000000 0.0000000 0.0000000 -4.0963702 6 S -1.4926550 0.0000000 0.0000000 0.0000000 -1.6527899 0.0000000 0.0000000 0.0000000 -4.0963702 7 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 -0.0410864 0.0000000 0.4582114 -2.4019012 8 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 0.0410864 0.0000000 -0.4582114 -2.4019012 9 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 -0.0410864 0.0000000 0.4582114 -2.4019012 10 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 0.0410864 0.0000000 -0.4582114 -2.4019012 11 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 -0.3640737 0.0000000 -0.2403683 0.8675352 12 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 -0.3640737 0.0000000 -0.2403683 0.8675352 13 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 0.3640737 0.0000000 0.2403683 0.8675352 14 Cu 0.4732869 0.0000000 0.0000000 0.0000000 0.4530830 0.0000000 0.0000000 0.0000000 1.2018671 15 Cu 0.4732869 0.0000000 0.0000000 0.0000000 0.4530830 0.0000000 0.0000000 0.0000000 1.2018671 16 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 0.3640737 0.0000000 0.2403683 0.8675352 17 Rb 1.0794551 0.0000000 0.0000000 0.0000000 1.4850826 0.0000000 0.0000000 0.0000000 1.6421379 18 Rb 1.0794551 0.0000000 0.0000000 0.0000000 1.4850826 0.0000000 0.0000000 0.0000000 1.6421379 19 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 -0.9009926 0.0000000 -0.0947193 4.2692669 20 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 -0.9009926 0.0000000 -0.0947193 4.2692669 21 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 0.9009926 0.0000000 0.0947193 4.2692669 22 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 0.9009926 0.0000000 0.0947193 4.2692669 ---------------------------------------------------------------------------- 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[ 19, 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[ 61, 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[ 70, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 03:59:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:59:05]------------------------- 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 1.939280689999999 -6.836729960000000 0.000000000000000 b 1.939280689999999 6.836729960000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.184486470000000 Atomic positions (fractional): 1 S 0.66653609369439 0.33346390630561 0.57027732220413 32.065 2 S 0.33346390630560 0.66653609369440 0.42972267779587 32.065 3 S 0.33346390630560 0.66653609369440 0.07027732220413 32.065 4 S 0.66653609369439 0.33346390630561 0.92972267779587 32.065 5 S 0.73938268241602 0.26061731758398 0.25000000000000 32.065 6 S 0.26061731758398 0.73938268241602 0.75000000000000 32.065 7 S 0.06013663455514 0.93986336544486 0.11410944051152 32.065 8 S 0.06013663455514 0.93986336544486 0.38589055948848 32.065 9 S 0.93986336544486 0.06013663455514 0.88589055948848 32.065 10 S 0.93986336544486 0.06013663455514 0.61410944051152 32.065 11 Cu 0.08486215532794 0.91513784467206 0.96576775429819 63.546 12 Cu 0.91513784467206 0.08486215532794 0.03423224570181 63.546 13 Cu 0.91513784467206 0.08486215532794 0.46576775429819 63.546 14 Cu 0.84584622543030 0.15415377456970 0.75000000000000 63.546 15 Cu 0.15415377456970 0.84584622543030 0.25000000000000 63.546 16 Cu 0.08486215532794 0.91513784467206 0.53423224570181 63.546 17 Rb 0.56445149799383 0.43554850200617 0.75000000000000 85.468 18 Rb 0.43554850200617 0.56445149799383 0.25000000000000 85.468 19 Ho 0.30737987722536 0.69262012277464 0.59273830924881 164.930 20 Ho 0.69262012277464 0.30737987722536 0.40726169075119 164.930 21 Ho 0.30737987722536 0.69262012277464 0.90726169075119 164.930 22 Ho 0.69262012277464 0.30737987722536 0.09273830924881 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.635684139999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.673459920000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.184486470000000 Atomic positions (fractional): 1 S 0.00000000000000 0.33346390630561 0.57027732220413 32.065 > 1 2 S 0.33333333333333 0.33346390630561 0.57027732220413 32.065 > 1 3 S 0.66666666666667 0.33346390630561 0.57027732220413 32.065 > 1 4 S 0.16666666666667 0.16653609369440 0.42972267779587 32.065 > 4 5 S 0.50000000000000 0.16653609369440 0.42972267779587 32.065 > 4 6 S 0.83333333333333 0.16653609369440 0.42972267779587 32.065 > 4 7 S 0.16666666666667 0.16653609369440 0.07027732220413 32.065 > 7 8 S 0.50000000000000 0.16653609369440 0.07027732220413 32.065 > 7 9 S 0.83333333333333 0.16653609369440 0.07027732220413 32.065 > 7 10 S 0.00000000000000 0.33346390630561 0.92972267779587 32.065 > 10 11 S 0.33333333333333 0.33346390630561 0.92972267779587 32.065 > 10 12 S 0.66666666666667 0.33346390630561 0.92972267779587 32.065 > 10 13 S 0.00000000000000 0.26061731758398 0.25000000000000 32.065 > 13 14 S 0.33333333333333 0.26061731758398 0.25000000000000 32.065 > 13 15 S 0.66666666666667 0.26061731758398 0.25000000000000 32.065 > 13 16 S 0.16666666666667 0.23938268241602 0.75000000000000 32.065 > 16 17 S 0.50000000000000 0.23938268241602 0.75000000000000 32.065 > 16 18 S 0.83333333333333 0.23938268241602 0.75000000000000 32.065 > 16 19 S 0.16666666666667 0.43986336544486 0.11410944051152 32.065 > 19 20 S 0.50000000000000 0.43986336544486 0.11410944051152 32.065 > 19 21 S 0.83333333333333 0.43986336544486 0.11410944051152 32.065 > 19 22 S 0.16666666666667 0.43986336544486 0.38589055948848 32.065 > 22 23 S 0.50000000000000 0.43986336544486 0.38589055948848 32.065 > 22 24 S 0.83333333333333 0.43986336544486 0.38589055948848 32.065 > 22 25 S 0.00000000000000 0.06013663455514 0.88589055948848 32.065 > 25 26 S 0.33333333333333 0.06013663455514 0.88589055948848 32.065 > 25 27 S 0.66666666666667 0.06013663455514 0.88589055948848 32.065 > 25 28 S 0.00000000000000 0.06013663455514 0.61410944051152 32.065 > 28 29 S 0.33333333333333 0.06013663455514 0.61410944051152 32.065 > 28 30 S 0.66666666666667 0.06013663455514 0.61410944051152 32.065 > 28 31 S 0.16666666666667 0.83346390630560 0.57027732220413 32.065 > 1 32 S 0.50000000000000 0.83346390630560 0.57027732220413 32.065 > 1 33 S 0.83333333333333 0.83346390630560 0.57027732220413 32.065 > 1 34 S 0.00000000000000 0.66653609369440 0.42972267779587 32.065 > 4 35 S 0.33333333333333 0.66653609369440 0.42972267779587 32.065 > 4 36 S 0.66666666666667 0.66653609369440 0.42972267779587 32.065 > 4 37 S 0.00000000000000 0.66653609369440 0.07027732220413 32.065 > 7 38 S 0.33333333333333 0.66653609369440 0.07027732220413 32.065 > 7 39 S 0.66666666666667 0.66653609369440 0.07027732220413 32.065 > 7 40 S 0.16666666666667 0.83346390630560 0.92972267779587 32.065 > 10 41 S 0.50000000000000 0.83346390630560 0.92972267779587 32.065 > 10 42 S 0.83333333333333 0.83346390630560 0.92972267779587 32.065 > 10 43 S 0.16666666666667 0.76061731758398 0.25000000000000 32.065 > 13 44 S 0.50000000000000 0.76061731758398 0.25000000000000 32.065 > 13 45 S 0.83333333333333 0.76061731758398 0.25000000000000 32.065 > 13 46 S 0.00000000000000 0.73938268241602 0.75000000000000 32.065 > 16 47 S 0.33333333333333 0.73938268241602 0.75000000000000 32.065 > 16 48 S 0.66666666666667 0.73938268241602 0.75000000000000 32.065 > 16 49 S 0.00000000000000 0.93986336544486 0.11410944051152 32.065 > 19 50 S 0.33333333333333 0.93986336544486 0.11410944051152 32.065 > 19 51 S 0.66666666666667 0.93986336544486 0.11410944051152 32.065 > 19 52 S 0.00000000000000 0.93986336544486 0.38589055948848 32.065 > 22 53 S 0.33333333333333 0.93986336544486 0.38589055948848 32.065 > 22 54 S 0.66666666666667 0.93986336544486 0.38589055948848 32.065 > 22 55 S 0.16666666666667 0.56013663455514 0.88589055948848 32.065 > 25 56 S 0.50000000000000 0.56013663455514 0.88589055948848 32.065 > 25 57 S 0.83333333333333 0.56013663455514 0.88589055948848 32.065 > 25 58 S 0.16666666666667 0.56013663455514 0.61410944051152 32.065 > 28 59 S 0.50000000000000 0.56013663455514 0.61410944051152 32.065 > 28 60 S 0.83333333333333 0.56013663455514 0.61410944051152 32.065 > 28 61 Cu 0.16666666666667 0.41513784467206 0.96576775429819 63.546 > 61 62 Cu 0.50000000000000 0.41513784467206 0.96576775429819 63.546 > 61 63 Cu 0.83333333333333 0.41513784467206 0.96576775429819 63.546 > 61 64 Cu 0.00000000000000 0.08486215532794 0.03423224570181 63.546 > 64 65 Cu 0.33333333333333 0.08486215532794 0.03423224570181 63.546 > 64 66 Cu 0.66666666666667 0.08486215532794 0.03423224570181 63.546 > 64 67 Cu 0.00000000000000 0.08486215532794 0.46576775429819 63.546 > 67 68 Cu 0.33333333333333 0.08486215532794 0.46576775429819 63.546 > 67 69 Cu 0.66666666666667 0.08486215532794 0.46576775429819 63.546 > 67 70 Cu 0.00000000000000 0.15415377456970 0.75000000000000 63.546 > 70 71 Cu 0.33333333333333 0.15415377456970 0.75000000000000 63.546 > 70 72 Cu 0.66666666666667 0.15415377456970 0.75000000000000 63.546 > 70 73 Cu 0.16666666666667 0.34584622543030 0.25000000000000 63.546 > 73 74 Cu 0.50000000000000 0.34584622543030 0.25000000000000 63.546 > 73 75 Cu 0.83333333333333 0.34584622543030 0.25000000000000 63.546 > 73 76 Cu 0.16666666666667 0.41513784467206 0.53423224570181 63.546 > 76 77 Cu 0.50000000000000 0.41513784467206 0.53423224570181 63.546 > 76 78 Cu 0.83333333333333 0.41513784467206 0.53423224570181 63.546 > 76 79 Cu 0.00000000000000 0.91513784467206 0.96576775429819 63.546 > 61 80 Cu 0.33333333333333 0.91513784467206 0.96576775429819 63.546 > 61 81 Cu 0.66666666666667 0.91513784467206 0.96576775429819 63.546 > 61 82 Cu 0.16666666666667 0.58486215532794 0.03423224570181 63.546 > 64 83 Cu 0.50000000000000 0.58486215532794 0.03423224570181 63.546 > 64 84 Cu 0.83333333333333 0.58486215532794 0.03423224570181 63.546 > 64 85 Cu 0.16666666666667 0.58486215532794 0.46576775429819 63.546 > 67 86 Cu 0.50000000000000 0.58486215532794 0.46576775429819 63.546 > 67 87 Cu 0.83333333333333 0.58486215532794 0.46576775429819 63.546 > 67 88 Cu 0.16666666666667 0.65415377456970 0.75000000000000 63.546 > 70 89 Cu 0.50000000000000 0.65415377456970 0.75000000000000 63.546 > 70 90 Cu 0.83333333333333 0.65415377456970 0.75000000000000 63.546 > 70 91 Cu 0.00000000000000 0.84584622543030 0.25000000000000 63.546 > 73 92 Cu 0.33333333333333 0.84584622543030 0.25000000000000 63.546 > 73 93 Cu 0.66666666666667 0.84584622543030 0.25000000000000 63.546 > 73 94 Cu 0.00000000000000 0.91513784467206 0.53423224570181 63.546 > 76 95 Cu 0.33333333333333 0.91513784467206 0.53423224570181 63.546 > 76 96 Cu 0.66666666666667 0.91513784467206 0.53423224570181 63.546 > 76 97 Rb 0.00000000000000 0.43554850200617 0.75000000000000 85.468 > 97 98 Rb 0.33333333333333 0.43554850200617 0.75000000000000 85.468 > 97 99 Rb 0.66666666666667 0.43554850200617 0.75000000000000 85.468 > 97 100 Rb 0.16666666666667 0.06445149799383 0.25000000000000 85.468 > 100 101 Rb 0.50000000000000 0.06445149799383 0.25000000000000 85.468 > 100 102 Rb 0.83333333333333 0.06445149799383 0.25000000000000 85.468 > 100 103 Rb 0.16666666666667 0.93554850200617 0.75000000000000 85.468 > 97 104 Rb 0.50000000000000 0.93554850200617 0.75000000000000 85.468 > 97 105 Rb 0.83333333333333 0.93554850200617 0.75000000000000 85.468 > 97 106 Rb 0.00000000000000 0.56445149799383 0.25000000000000 85.468 > 100 107 Rb 0.33333333333333 0.56445149799383 0.25000000000000 85.468 > 100 108 Rb 0.66666666666667 0.56445149799383 0.25000000000000 85.468 > 100 109 Ho 0.16666666666667 0.19262012277464 0.59273830924881 164.930 > 109 110 Ho 0.50000000000000 0.19262012277464 0.59273830924881 164.930 > 109 111 Ho 0.83333333333333 0.19262012277464 0.59273830924881 164.930 > 109 112 Ho 0.00000000000000 0.30737987722536 0.40726169075119 164.930 > 112 113 Ho 0.33333333333333 0.30737987722536 0.40726169075119 164.930 > 112 114 Ho 0.66666666666667 0.30737987722536 0.40726169075119 164.930 > 112 115 Ho 0.16666666666667 0.19262012277464 0.90726169075119 164.930 > 115 116 Ho 0.50000000000000 0.19262012277464 0.90726169075119 164.930 > 115 117 Ho 0.83333333333333 0.19262012277464 0.90726169075119 164.930 > 115 118 Ho 0.00000000000000 0.30737987722536 0.09273830924881 164.930 > 118 119 Ho 0.33333333333333 0.30737987722536 0.09273830924881 164.930 > 118 120 Ho 0.66666666666667 0.30737987722536 0.09273830924881 164.930 > 118 121 Ho 0.00000000000000 0.69262012277464 0.59273830924881 164.930 > 109 122 Ho 0.33333333333333 0.69262012277464 0.59273830924881 164.930 > 109 123 Ho 0.66666666666667 0.69262012277464 0.59273830924881 164.930 > 109 124 Ho 0.16666666666667 0.80737987722536 0.40726169075119 164.930 > 112 125 Ho 0.50000000000000 0.80737987722536 0.40726169075119 164.930 > 112 126 Ho 0.83333333333333 0.80737987722536 0.40726169075119 164.930 > 112 127 Ho 0.00000000000000 0.69262012277464 0.90726169075119 164.930 > 115 128 Ho 0.33333333333333 0.69262012277464 0.90726169075119 164.930 > 115 129 Ho 0.66666666666667 0.69262012277464 0.90726169075119 164.930 > 115 130 Ho 0.16666666666667 0.80737987722536 0.09273830924881 164.930 > 118 131 Ho 0.50000000000000 0.80737987722536 0.09273830924881 164.930 > 118 132 Ho 0.83333333333333 0.80737987722536 0.09273830924881 164.930 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8980710 0.0000000 0.0000000 0.0000000 7.7699949 0.0000000 0.0000000 0.0000000 9.1405378 -------------------------- Born effective charges -------------------------- 1 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 0.1938536 0.0000000 0.3425652 -2.1087184 2 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 0.1938536 0.0000000 0.3425652 -2.1087184 3 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 -0.1938536 0.0000000 -0.3425652 -2.1087184 4 S -2.8684132 0.0000000 0.0000000 0.0000000 -2.0779828 -0.1938536 0.0000000 -0.3425652 -2.1087184 5 S -1.4926550 0.0000000 0.0000000 0.0000000 -1.6527899 0.0000000 0.0000000 0.0000000 -4.0963702 6 S -1.4926550 0.0000000 0.0000000 0.0000000 -1.6527899 0.0000000 0.0000000 0.0000000 -4.0963702 7 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 -0.0410864 0.0000000 0.4582114 -2.4019012 8 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 0.0410864 0.0000000 -0.4582114 -2.4019012 9 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 -0.0410864 0.0000000 0.4582114 -2.4019012 10 S -2.3312115 0.0000000 0.0000000 0.0000000 -2.2868291 0.0410864 0.0000000 -0.4582114 -2.4019012 11 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 -0.3640737 0.0000000 -0.2403683 0.8675352 12 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 -0.3640737 0.0000000 -0.2403683 0.8675352 13 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 0.3640737 0.0000000 0.2403683 0.8675352 14 Cu 0.4732869 0.0000000 0.0000000 0.0000000 0.4530830 0.0000000 0.0000000 0.0000000 1.2018671 15 Cu 0.4732869 0.0000000 0.0000000 0.0000000 0.4530830 0.0000000 0.0000000 0.0000000 1.2018671 16 Cu 0.7264492 0.0000000 0.0000000 0.0000000 1.0459786 0.3640737 0.0000000 0.2403683 0.8675352 17 Rb 1.0794551 0.0000000 0.0000000 0.0000000 1.4850826 0.0000000 0.0000000 0.0000000 1.6421379 18 Rb 1.0794551 0.0000000 0.0000000 0.0000000 1.4850826 0.0000000 0.0000000 0.0000000 1.6421379 19 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 -0.9009926 0.0000000 -0.0947193 4.2692669 20 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 -0.9009926 0.0000000 -0.0947193 4.2692669 21 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 0.9009926 0.0000000 0.0947193 4.2692669 22 Ho 4.4431320 0.0000000 0.0000000 0.0000000 3.1761454 0.9009926 0.0000000 0.0947193 4.2692669 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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: 0.55, Number of G-points: 301, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 0.982 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.082 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.532 ( 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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 22.061 -5.494 0.000) 22.734 0.504 ( 24.065 -4.217 0.000) 24.432 0.951 ( 43.279 -11.589 0.000) 44.804 1.063 ( 6.501 -3.892 0.000) 7.577 1.291 ( 11.978 -1.711 0.000) 12.100 1.573 ( 3.337 -1.400 0.000) 3.619 1.655 ( 0.236 2.832 0.000) 2.842 1.715 ( 5.110 4.778 0.000) 6.995 1.755 ( 8.186 -3.817 0.000) 9.032 2.027 ( 6.911 0.491 0.000) 6.928 2.101 ( 8.136 -5.883 0.000) 10.040 2.185 ( 0.604 1.400 0.000) 1.525 2.230 ( -0.730 -1.191 0.000) 1.397 2.252 ( 8.365 -0.530 0.000) 8.382 2.364 ( 10.197 0.087 0.000) 10.197 2.547 ( -2.776 -0.575 0.000) 2.835 2.576 ( -1.090 0.394 0.000) 1.159 2.656 ( -1.815 -0.001 0.000) 1.815 2.703 ( 0.067 4.528 0.000) 4.528 2.742 ( 1.019 -2.068 0.000) 2.305 2.783 ( 5.164 0.696 0.000) 5.211 2.792 ( 6.605 -0.818 0.000) 6.655 2.807 ( 3.989 2.640 0.000) 4.784 2.844 ( 2.693 -3.590 0.000) 4.487 3.007 ( 7.607 0.945 0.000) 7.665 3.030 ( 5.231 2.798 0.000) 5.932 3.055 ( 3.798 0.362 0.000) 3.815 3.135 ( 7.065 5.925 0.000) 9.220 3.165 ( 0.555 0.228 0.000) 0.600 3.177 ( -0.364 -4.623 0.000) 4.637 3.281 ( -1.119 -6.623 0.000) 6.717 3.700 ( 1.134 -0.441 0.000) 1.217 3.897 ( -0.335 1.323 0.000) 1.365 4.039 ( -0.720 0.701 0.000) 1.004 4.315 ( -2.758 0.313 0.000) 2.775 4.374 ( -1.861 0.117 0.000) 1.864 5.612 ( 1.882 -0.822 0.000) 2.053 6.032 ( -5.669 2.255 0.000) 6.101 6.301 ( 0.834 -0.229 0.000) 0.865 6.387 ( 9.725 -0.794 0.000) 9.757 6.474 ( 5.366 -0.625 0.000) 5.403 6.489 ( 7.284 -0.594 0.000) 7.308 6.682 ( 0.668 4.117 0.000) 4.171 6.851 ( 8.135 22.211 0.000) 23.654 6.917 ( 1.071 -5.657 0.000) 5.757 7.232 ( -4.421 -7.307 0.000) 8.540 7.277 ( -0.300 -0.040 0.000) 0.303 7.370 ( -2.981 -12.478 0.000) 12.829 7.564 ( 0.355 -0.873 0.000) 0.943 7.643 ( 0.417 -3.258 0.000) 3.284 8.037 ( -0.871 -0.838 0.000) 1.208 8.134 ( -1.708 0.187 0.000) 1.718 8.162 ( -1.347 0.064 0.000) 1.348 8.376 ( -2.861 0.551 0.000) 2.914 8.463 ( 7.153 1.754 0.000) 7.365 8.481 ( 5.532 -0.810 0.000) 5.591 8.637 ( 6.029 1.500 0.000) 6.213 8.663 ( -0.265 0.039 0.000) 0.267 8.862 ( -0.930 -0.737 0.000) 1.186 8.898 ( 4.794 3.429 0.000) 5.895 8.980 ( -3.273 1.801 0.000) 3.736 9.061 ( -0.876 -0.596 0.000) 1.060 9.144 ( 4.043 -0.653 0.000) 4.096 9.247 ( 2.533 2.348 0.000) 3.454 10.121 ( -1.356 -0.022 0.000) 1.356 10.466 ( -5.654 1.610 0.000) 5.879 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 20.387 -4.613 0.000) 20.902 0.994 ( 23.416 -1.592 0.000) 23.470 1.248 ( 8.942 -2.782 0.000) 9.364 1.437 ( 3.591 -0.679 0.000) 3.655 1.678 ( 3.133 -0.893 0.000) 3.258 1.685 ( 7.064 -2.449 0.000) 7.476 1.783 ( 23.109 -6.329 0.000) 23.960 1.855 ( 20.970 2.764 0.000) 21.152 2.075 ( 15.550 -1.335 0.000) 15.607 2.184 ( 8.730 2.558 0.000) 9.097 2.216 ( 6.383 2.364 0.000) 6.806 2.233 ( 0.815 -1.497 0.000) 1.705 2.321 ( 9.748 -5.061 0.000) 10.984 2.412 ( 5.755 -0.239 0.000) 5.760 2.509 ( -0.888 -1.143 0.000) 1.447 2.560 ( -0.259 -0.017 0.000) 0.259 2.591 ( 9.384 1.752 0.000) 9.546 2.642 ( 0.362 -1.185 0.000) 1.239 2.699 ( 3.589 2.342 0.000) 4.286 2.766 ( 0.152 -1.769 0.000) 1.775 2.844 ( 2.858 0.265 0.000) 2.871 2.863 ( 2.475 1.750 0.000) 3.032 2.964 ( 4.950 0.449 0.000) 4.970 2.972 ( 10.678 -1.298 0.000) 10.757 3.105 ( 8.110 4.022 0.000) 9.053 3.175 ( 6.178 2.527 0.000) 6.675 3.177 ( 4.537 -1.342 0.000) 4.731 3.228 ( 9.163 2.662 0.000) 9.541 3.232 ( 5.310 -2.180 0.000) 5.740 3.244 ( 5.330 -6.139 0.000) 8.130 3.350 ( 4.350 -5.556 0.000) 7.056 3.731 ( 1.813 0.478 0.000) 1.875 3.867 ( -1.911 2.276 0.000) 2.972 4.007 ( -1.727 2.379 0.000) 2.940 4.249 ( -3.384 0.364 0.000) 3.403 4.323 ( -3.039 0.190 0.000) 3.045 5.673 ( 3.544 -0.957 0.000) 3.671 5.905 ( -4.967 2.030 0.000) 5.365 6.331 ( 2.351 0.315 0.000) 2.372 6.510 ( 0.287 0.862 0.000) 0.909 6.606 ( 7.239 -0.545 0.000) 7.259 6.672 ( 9.986 -0.291 0.000) 9.990 6.762 ( 10.573 4.326 0.000) 11.424 6.905 ( 6.036 8.634 0.000) 10.535 6.994 ( 3.184 -7.721 0.000) 8.352 7.192 ( -3.085 -5.186 0.000) 6.034 7.289 ( 1.695 -0.513 0.000) 1.771 7.365 ( -0.723 -0.360 0.000) 0.807 7.591 ( 1.370 -1.981 0.000) 2.409 7.688 ( 2.196 -2.963 0.000) 3.688 8.022 ( -1.062 -0.996 0.000) 1.456 8.109 ( -0.726 0.192 0.000) 0.751 8.131 ( -1.501 0.127 0.000) 1.507 8.304 ( -3.814 0.611 0.000) 3.863 8.511 ( -0.904 3.283 0.000) 3.405 8.636 ( 6.638 2.400 0.000) 7.059 8.731 ( 8.178 -1.392 0.000) 8.296 8.740 ( 2.433 4.129 0.000) 4.793 8.866 ( 1.814 -2.700 0.000) 3.253 8.887 ( -1.635 6.964 0.000) 7.153 8.981 ( 3.516 -2.396 0.000) 4.255 9.107 ( 5.708 -2.056 0.000) 6.067 9.233 ( 4.553 -0.044 0.000) 4.554 9.299 ( 3.133 -0.707 0.000) 3.212 10.086 ( -1.981 -0.109 0.000) 1.984 10.320 ( -7.343 1.946 0.000) 7.597 ======================= Grid point 3 (4/98) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 15.415 -2.730 0.000) 15.654 1.405 ( 6.819 0.332 0.000) 6.827 1.437 ( 20.789 1.256 0.000) 20.827 1.517 ( 4.307 -2.207 0.000) 4.839 1.803 ( 8.454 -1.641 0.000) 8.611 1.861 ( 8.582 -3.054 0.000) 9.109 1.970 ( 8.770 4.098 0.000) 9.680 2.177 ( 1.817 2.631 0.000) 3.197 2.199 ( 1.613 2.139 0.000) 2.679 2.329 ( 6.235 1.712 0.000) 6.466 2.346 ( 6.491 1.202 0.000) 6.601 2.434 ( 5.912 -0.052 0.000) 5.912 2.470 ( 2.523 0.813 0.000) 2.651 2.508 ( 1.008 -1.624 0.000) 1.912 2.558 ( 0.705 1.336 0.000) 1.510 2.597 ( 12.350 -1.614 0.000) 12.455 2.678 ( 1.212 -2.224 0.000) 2.533 2.684 ( 6.423 2.183 0.000) 6.784 2.746 ( -1.855 0.081 0.000) 1.857 2.829 ( 1.737 0.064 0.000) 1.738 2.932 ( 12.393 -2.610 0.000) 12.664 2.939 ( 4.835 -1.235 0.000) 4.990 3.011 ( 1.683 2.904 0.000) 3.356 3.188 ( 5.860 -3.876 0.000) 7.026 3.281 ( 10.459 2.982 0.000) 10.875 3.290 ( 10.468 -3.543 0.000) 11.051 3.307 ( 7.827 2.430 0.000) 8.196 3.394 ( 7.835 -3.644 0.000) 8.641 3.422 ( 7.767 -0.409 0.000) 7.778 3.423 ( 10.940 -1.840 0.000) 11.094 3.488 ( 8.377 -2.229 0.000) 8.669 3.763 ( 2.029 1.604 0.000) 2.587 3.795 ( -3.906 1.723 0.000) 4.269 3.946 ( -3.160 0.991 0.000) 3.311 4.190 ( -2.070 -0.065 0.000) 2.071 4.260 ( -2.799 0.288 0.000) 2.814 5.751 ( 3.758 0.198 0.000) 3.763 5.841 ( -0.344 0.678 0.000) 0.761 6.394 ( 4.261 0.810 0.000) 4.337 6.473 ( -1.800 0.847 0.000) 1.989 6.756 ( 7.617 0.656 0.000) 7.645 6.854 ( 8.243 1.704 0.000) 8.418 6.940 ( 8.231 2.748 0.000) 8.678 6.986 ( 5.442 4.618 0.000) 7.138 7.128 ( 5.388 -6.449 0.000) 8.404 7.171 ( -1.016 -2.981 0.000) 3.149 7.359 ( 5.109 -0.460 0.000) 5.130 7.367 ( 1.225 0.374 0.000) 1.280 7.635 ( 1.955 -1.627 0.000) 2.543 7.747 ( 2.190 -1.381 0.000) 2.589 8.009 ( -0.741 -0.897 0.000) 1.164 8.098 ( -0.379 0.370 0.000) 0.530 8.107 ( -0.754 0.430 0.000) 0.867 8.227 ( -3.447 0.544 0.000) 3.490 8.430 ( -4.408 3.540 0.000) 5.654 8.652 ( -6.093 5.265 0.000) 8.052 8.656 ( -1.546 4.259 0.000) 4.531 8.792 ( -4.576 5.760 0.000) 7.357 8.947 ( 11.454 -1.070 0.000) 11.504 9.002 ( 8.851 -2.748 0.000) 9.267 9.160 ( 11.284 -2.015 0.000) 11.462 9.256 ( 7.608 0.455 0.000) 7.621 9.322 ( 4.379 -0.241 0.000) 4.386 9.382 ( 4.443 -2.778 0.000) 5.240 10.052 ( -1.390 -0.400 0.000) 1.446 10.177 ( -5.699 1.238 0.000) 5.832 ======================= Grid point 4 (5/98) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 3.000 0.831 0.000) 3.113 1.566 ( 4.571 -0.236 0.000) 4.577 1.702 ( 12.687 -3.164 0.000) 13.076 1.792 ( 16.125 3.430 0.000) 16.486 1.993 ( 9.166 -0.019 0.000) 9.166 2.025 ( 5.918 0.039 0.000) 5.918 2.112 ( 7.432 2.271 0.000) 7.771 2.171 ( -2.105 3.810 0.000) 4.353 2.189 ( 1.042 2.351 0.000) 2.571 2.345 ( 0.388 5.519 0.000) 5.533 2.441 ( -0.932 1.258 0.000) 1.565 2.459 ( 3.744 -0.887 0.000) 3.847 2.480 ( -2.910 -2.246 0.000) 3.676 2.495 ( 0.310 3.739 0.000) 3.752 2.605 ( 3.810 1.860 0.000) 4.240 2.683 ( -3.610 -1.249 0.000) 3.820 2.699 ( 0.236 -1.035 0.000) 1.061 2.740 ( 3.212 -2.373 0.000) 3.993 2.781 ( 2.727 1.290 0.000) 3.017 2.831 ( -0.128 -0.823 0.000) 0.833 2.980 ( -0.704 -0.858 0.000) 1.110 3.006 ( -0.869 2.625 0.000) 2.765 3.255 ( 7.532 -1.062 0.000) 7.607 3.328 ( 11.247 -3.784 0.000) 11.867 3.375 ( 0.871 0.966 0.000) 1.301 3.405 ( 0.329 -0.497 0.000) 0.596 3.536 ( 9.740 2.993 0.000) 10.190 3.554 ( 8.887 1.838 0.000) 9.075 3.630 ( 7.696 -2.819 0.000) 8.196 3.665 ( 7.724 -0.428 0.000) 7.735 3.680 ( 12.966 0.887 0.000) 12.996 3.740 ( 3.071 -1.783 0.000) 3.551 3.805 ( 4.607 0.296 0.000) 4.617 3.899 ( -0.783 -2.494 0.000) 2.614 4.176 ( 0.266 -1.077 0.000) 1.110 4.220 ( -1.116 -0.089 0.000) 1.120 5.807 ( 2.404 2.160 0.000) 3.232 5.880 ( 3.857 -0.417 0.000) 3.879 6.459 ( 0.492 -1.288 0.000) 1.379 6.484 ( 5.075 0.834 0.000) 5.143 6.888 ( 6.368 3.185 0.000) 7.120 6.967 ( 4.931 5.077 0.000) 7.078 7.048 ( 2.755 2.367 0.000) 3.632 7.065 ( 5.425 0.053 0.000) 5.425 7.209 ( 3.842 -1.566 0.000) 4.149 7.250 ( 4.037 -4.332 0.000) 5.921 7.412 ( 3.232 -0.234 0.000) 3.240 7.487 ( 7.181 0.659 0.000) 7.211 7.681 ( 1.677 -1.235 0.000) 2.083 7.781 ( 0.702 -0.123 0.000) 0.713 8.002 ( -0.492 -0.656 0.000) 0.821 8.085 ( -0.696 0.672 0.000) 0.968 8.097 ( 0.048 1.363 0.000) 1.364 8.165 ( -2.340 0.356 0.000) 2.366 8.312 ( -5.344 3.149 0.000) 6.203 8.487 ( -7.261 4.682 0.000) 8.640 8.572 ( -4.011 4.002 0.000) 5.666 8.654 ( -6.235 4.325 0.000) 7.589 9.163 ( 9.367 -0.199 0.000) 9.369 9.189 ( 8.076 -1.221 0.000) 8.167 9.362 ( 6.167 1.184 0.000) 6.280 9.375 ( 4.858 0.680 0.000) 4.905 9.434 ( 7.881 -1.938 0.000) 8.116 9.512 ( 6.670 -2.929 0.000) 7.285 10.043 ( 0.159 -0.816 0.000) 0.832 10.089 ( -2.656 0.297 0.000) 2.672 ======================= Grid point 5 (6/98) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 1.713 0.626 0.000) 1.824 1.634 ( 2.467 -0.484 0.000) 2.514 1.942 ( 9.629 -1.053 0.000) 9.686 2.024 ( 8.512 4.399 0.000) 9.581 2.053 ( -2.001 5.211 0.000) 5.582 2.118 ( 1.438 3.321 0.000) 3.619 2.126 ( 3.765 2.570 0.000) 4.559 2.212 ( 2.941 -0.167 0.000) 2.946 2.231 ( 4.262 -1.226 0.000) 4.435 2.313 ( -1.143 2.789 0.000) 3.014 2.398 ( -2.909 1.035 0.000) 3.088 2.426 ( -2.966 -1.580 0.000) 3.361 2.471 ( 1.036 2.556 0.000) 2.758 2.531 ( 2.108 2.651 0.000) 3.387 2.638 ( -1.525 -2.960 0.000) 3.330 2.663 ( 2.421 -0.211 0.000) 2.430 2.709 ( 0.596 -0.122 0.000) 0.609 2.781 ( 0.458 -0.105 0.000) 0.470 2.808 ( 0.791 -0.580 0.000) 0.981 2.842 ( -0.061 -2.889 0.000) 2.890 2.951 ( -1.711 1.791 0.000) 2.477 2.954 ( -2.795 0.364 0.000) 2.818 3.350 ( 1.499 -0.110 0.000) 1.503 3.361 ( -1.209 0.693 0.000) 1.394 3.378 ( 0.564 -1.128 0.000) 1.262 3.500 ( 4.085 0.948 0.000) 4.193 3.529 ( -3.658 2.236 0.000) 4.287 3.592 ( -1.858 3.386 0.000) 3.862 3.735 ( 3.654 -2.261 0.000) 4.297 3.788 ( 3.055 -0.796 0.000) 3.157 3.924 ( 9.540 1.621 0.000) 9.677 3.938 ( 11.313 -1.253 0.000) 11.382 3.973 ( 9.040 -0.379 0.000) 9.048 3.990 ( 7.670 -2.891 0.000) 8.197 4.202 ( 1.181 -1.775 0.000) 2.132 4.215 ( 0.187 -1.032 0.000) 1.049 5.827 ( 1.241 2.717 0.000) 2.987 5.972 ( 4.349 -0.682 0.000) 4.402 6.500 ( 2.052 -2.636 0.000) 3.340 6.577 ( 4.382 0.231 0.000) 4.388 6.951 ( 2.194 5.329 0.000) 5.763 6.994 ( 1.165 5.705 0.000) 5.823 7.092 ( 2.530 -0.372 0.000) 2.557 7.157 ( 3.523 -1.007 0.000) 3.664 7.321 ( 6.078 -0.584 0.000) 6.106 7.352 ( 4.315 -2.439 0.000) 4.956 7.491 ( 4.268 -0.378 0.000) 4.285 7.610 ( 5.352 1.520 0.000) 5.563 7.713 ( 1.013 -0.799 0.000) 1.290 7.781 ( -0.480 0.185 0.000) 0.515 7.997 ( -0.355 -0.678 0.000) 0.766 8.063 ( -0.919 1.087 0.000) 1.423 8.075 ( -1.481 1.628 0.000) 2.201 8.142 ( 0.251 0.964 0.000) 0.996 8.195 ( -4.545 1.939 0.000) 4.942 8.328 ( -6.124 2.817 0.000) 6.741 8.465 ( -4.463 3.064 0.000) 5.414 8.510 ( -5.901 2.656 0.000) 6.471 9.310 ( 5.351 0.014 0.000) 5.351 9.321 ( 4.790 -0.076 0.000) 4.790 9.434 ( 2.609 0.299 0.000) 2.626 9.442 ( 2.456 0.430 0.000) 2.493 9.602 ( 6.864 -0.714 0.000) 6.901 9.653 ( 5.526 -1.808 0.000) 5.814 10.062 ( 0.868 -0.593 0.000) 1.051 10.065 ( 0.179 -0.474 0.000) 0.507 ======================= Grid point 6 (7/98) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.577 0.219 0.000) 0.617 1.670 ( 0.913 -0.213 0.000) 0.937 1.976 ( -1.789 2.482 0.000) 3.060 2.069 ( 0.279 1.991 0.000) 2.010 2.085 ( 4.477 0.498 0.000) 4.504 2.136 ( -0.620 0.459 0.000) 0.772 2.181 ( 3.636 1.966 0.000) 4.133 2.264 ( -1.204 0.690 0.000) 1.387 2.291 ( 3.845 0.229 0.000) 3.852 2.297 ( 0.681 -1.012 0.000) 1.220 2.337 ( -2.096 0.308 0.000) 2.118 2.377 ( -2.766 -0.791 0.000) 2.877 2.487 ( 1.213 1.519 0.000) 1.944 2.537 ( 0.043 0.517 0.000) 0.519 2.644 ( 0.217 -0.964 0.000) 0.988 2.693 ( 0.362 -0.581 0.000) 0.685 2.731 ( 1.265 0.122 0.000) 1.271 2.778 ( -0.271 0.214 0.000) 0.345 2.825 ( 0.388 -0.546 0.000) 0.670 2.853 ( -0.133 -1.432 0.000) 1.439 2.901 ( -1.334 1.181 0.000) 1.782 2.916 ( -1.200 -0.037 0.000) 1.200 3.325 ( -1.278 -0.478 0.000) 1.364 3.337 ( -0.698 0.256 0.000) 0.744 3.447 ( 3.233 0.851 0.000) 3.343 3.464 ( -1.615 0.714 0.000) 1.765 3.528 ( -0.561 0.683 0.000) 0.884 3.535 ( -1.380 0.121 0.000) 1.385 3.793 ( 1.355 -0.889 0.000) 1.621 3.818 ( 0.344 -0.276 0.000) 0.441 4.048 ( 3.368 0.803 0.000) 3.462 4.094 ( 2.990 0.189 0.000) 2.996 4.098 ( 4.062 0.019 0.000) 4.063 4.130 ( 3.751 -0.405 0.000) 3.773 4.231 ( 0.669 -1.078 0.000) 1.269 4.233 ( 0.642 -1.124 0.000) 1.295 5.832 ( 0.448 1.181 0.000) 1.263 6.038 ( 1.756 -0.297 0.000) 1.781 6.549 ( 1.175 -1.469 0.000) 1.881 6.645 ( 2.041 -0.225 0.000) 2.054 6.941 ( -0.095 2.543 0.000) 2.545 6.973 ( -0.284 2.548 0.000) 2.564 7.136 ( 1.229 -0.319 0.000) 1.270 7.212 ( 1.397 -0.535 0.000) 1.495 7.424 ( 3.222 -0.163 0.000) 3.226 7.433 ( 2.338 -0.721 0.000) 2.446 7.564 ( 2.301 -0.179 0.000) 2.308 7.672 ( 1.704 0.876 0.000) 1.916 7.730 ( 0.355 -0.268 0.000) 0.445 7.769 ( -0.400 0.079 0.000) 0.408 7.995 ( -0.192 -0.771 0.000) 0.795 8.036 ( -0.923 1.274 0.000) 1.573 8.037 ( -1.225 0.549 0.000) 1.342 8.132 ( -1.029 0.251 0.000) 1.059 8.135 ( -0.480 1.360 0.000) 1.442 8.240 ( -1.499 0.411 0.000) 1.554 8.379 ( -2.386 1.231 0.000) 2.685 8.408 ( -2.765 0.805 0.000) 2.880 9.377 ( 1.557 -0.026 0.000) 1.557 9.383 ( 1.571 0.147 0.000) 1.578 9.468 ( 0.886 -0.009 0.000) 0.886 9.472 ( 0.797 0.158 0.000) 0.813 9.700 ( 2.617 -0.140 0.000) 2.620 9.734 ( 1.857 -0.618 0.000) 1.957 10.076 ( 0.650 -0.066 0.000) 0.654 10.083 ( 0.341 -0.428 0.000) 0.547 ======================= Grid point 14 (8/98) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 21.338 -0.000 0.000) 21.338 0.988 ( 24.620 -0.000 0.000) 24.620 1.231 ( 10.122 -0.000 0.000) 10.122 1.434 ( 3.760 -0.000 0.000) 3.760 1.670 ( 6.901 -0.000 0.000) 6.901 1.674 ( 2.612 -0.000 0.000) 2.612 1.736 ( 32.128 -0.000 0.000) 32.128 1.884 ( 14.216 -0.000 0.000) 14.216 2.066 ( 17.067 -0.000 0.000) 17.067 2.202 ( 10.051 -0.000 0.000) 10.051 2.219 ( 0.333 -0.000 0.000) 0.333 2.231 ( 5.778 -0.000 0.000) 5.778 2.287 ( 10.501 -0.000 0.000) 10.501 2.410 ( 6.134 -0.000 0.000) 6.134 2.504 ( -1.067 0.000 0.000) 1.067 2.560 ( -0.243 0.000 0.000) 0.243 2.600 ( 11.549 -0.000 0.000) 11.549 2.635 ( -0.221 0.000 0.000) 0.221 2.723 ( -0.042 0.000 0.000) 0.042 2.748 ( 1.462 -0.000 0.000) 1.462 2.846 ( 2.431 -0.000 0.000) 2.431 2.873 ( 2.566 -0.000 0.000) 2.566 2.965 ( 10.776 -0.000 0.000) 10.776 2.965 ( 6.157 -0.000 0.000) 6.157 3.151 ( 8.625 -0.000 0.000) 8.625 3.157 ( 1.624 -0.000 0.000) 1.624 3.198 ( 7.668 -0.000 0.000) 7.668 3.199 ( 7.456 -0.000 0.000) 7.456 3.210 ( 4.793 -0.000 0.000) 4.793 3.260 ( 4.354 -0.000 0.000) 4.354 3.303 ( 7.140 -0.000 0.000) 7.140 3.733 ( 2.125 -0.000 0.000) 2.125 3.880 ( -2.106 0.000 0.000) 2.106 4.021 ( -1.969 0.000 0.000) 1.969 4.251 ( -3.471 0.000 0.000) 3.471 4.324 ( -3.041 0.000 0.000) 3.041 5.667 ( 3.801 -0.000 0.000) 3.801 5.917 ( -5.539 0.000 0.000) 5.539 6.333 ( 2.476 -0.000 0.000) 2.476 6.514 ( 0.764 -0.000 0.000) 0.764 6.603 ( 7.456 -0.000 0.000) 7.456 6.670 ( 10.235 -0.000 0.000) 10.235 6.797 ( 10.729 -0.000 0.000) 10.729 6.941 ( 3.089 -0.000 0.000) 3.089 6.969 ( 2.904 -0.000 0.000) 2.904 7.150 ( -1.641 0.000 0.000) 1.641 7.286 ( 1.641 -0.000 0.000) 1.641 7.362 ( 0.400 -0.000 0.000) 0.400 7.580 ( 1.624 -0.000 0.000) 1.624 7.670 ( 2.910 -0.000 0.000) 2.910 8.016 ( -0.934 0.000 0.000) 0.934 8.110 ( -0.726 0.000 0.000) 0.726 8.132 ( -1.483 0.000 0.000) 1.483 8.307 ( -3.918 0.000 0.000) 3.918 8.530 ( -1.097 0.000 0.000) 1.097 8.650 ( 7.919 -0.000 0.000) 7.919 8.722 ( 8.079 -0.000 0.000) 8.079 8.764 ( 2.950 -0.000 0.000) 2.950 8.849 ( 1.199 -0.000 0.000) 1.199 8.948 ( -2.998 0.000 0.000) 2.998 8.951 ( 2.896 -0.000 0.000) 2.896 9.091 ( 7.001 -0.000 0.000) 7.001 9.232 ( 4.662 -0.000 0.000) 4.662 9.295 ( 2.475 -0.000 0.000) 2.475 10.086 ( -2.016 0.000 0.000) 2.016 10.331 ( -7.688 0.000 0.000) 7.688 ======================= Grid point 15 (9/98) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 17.064 -1.065 0.000) 17.098 1.408 ( 7.634 0.209 0.000) 7.637 1.451 ( 21.763 0.835 0.000) 21.779 1.500 ( 3.423 -0.729 0.000) 3.500 1.791 ( 8.925 -0.545 0.000) 8.942 1.837 ( 9.088 -1.118 0.000) 9.156 2.004 ( 8.606 1.588 0.000) 8.752 2.198 ( 1.989 1.060 0.000) 2.254 2.222 ( 1.009 1.714 0.000) 1.989 2.302 ( 10.479 -2.381 0.000) 10.746 2.396 ( 4.836 3.642 0.000) 6.054 2.433 ( 6.008 -0.012 0.000) 6.008 2.470 ( 0.380 -0.306 0.000) 0.487 2.479 ( 5.923 -2.746 0.000) 6.529 2.580 ( 2.823 1.752 0.000) 3.322 2.586 ( 11.778 -0.283 0.000) 11.781 2.654 ( 1.409 -1.683 0.000) 2.195 2.695 ( 0.589 -0.277 0.000) 0.651 2.771 ( 3.176 4.005 0.000) 5.111 2.814 ( 3.400 -2.788 0.000) 4.397 2.917 ( 8.275 -0.419 0.000) 8.285 2.930 ( 4.548 -0.400 0.000) 4.566 3.034 ( 1.639 1.135 0.000) 1.993 3.156 ( 5.397 -1.523 0.000) 5.607 3.261 ( 10.958 -1.372 0.000) 11.044 3.313 ( 10.708 2.658 0.000) 11.033 3.328 ( 5.552 1.058 0.000) 5.652 3.354 ( 7.951 -3.135 0.000) 8.547 3.407 ( 14.645 -0.879 0.000) 14.671 3.422 ( 5.871 0.224 0.000) 5.875 3.468 ( 10.730 -1.135 0.000) 10.789 3.776 ( 2.140 0.560 0.000) 2.212 3.809 ( -4.764 0.601 0.000) 4.802 3.954 ( -4.454 0.376 0.000) 4.470 4.190 ( -2.366 -0.023 0.000) 2.366 4.263 ( -2.832 0.094 0.000) 2.834 5.753 ( 4.461 0.078 0.000) 4.462 5.847 ( -0.967 0.258 0.000) 1.001 6.400 ( 4.285 0.264 0.000) 4.293 6.479 ( -2.534 0.240 0.000) 2.545 6.760 ( 8.115 0.110 0.000) 8.116 6.865 ( 8.994 0.319 0.000) 9.000 6.987 ( 7.792 5.323 0.000) 9.437 7.037 ( 4.902 3.609 0.000) 6.087 7.055 ( 6.466 -6.311 0.000) 9.035 7.135 ( -0.719 -2.830 0.000) 2.919 7.355 ( 5.422 -0.162 0.000) 5.424 7.370 ( 0.961 0.138 0.000) 0.971 7.623 ( 2.335 -0.549 0.000) 2.399 7.736 ( 2.996 -0.544 0.000) 3.045 8.002 ( -0.563 -0.334 0.000) 0.655 8.101 ( -0.302 0.155 0.000) 0.339 8.110 ( -0.557 0.166 0.000) 0.581 8.231 ( -3.590 0.149 0.000) 3.593 8.459 ( -4.798 1.362 0.000) 4.988 8.691 ( -2.113 1.711 0.000) 2.719 8.694 ( -6.595 2.029 0.000) 6.900 8.841 ( -6.028 2.440 0.000) 6.503 8.938 ( 12.000 -0.438 0.000) 12.008 8.979 ( 9.787 -1.210 0.000) 9.861 9.142 ( 12.581 -1.008 0.000) 12.622 9.262 ( 8.969 0.456 0.000) 8.980 9.321 ( 4.202 0.076 0.000) 4.202 9.355 ( 3.368 -1.619 0.000) 3.737 10.049 ( -1.512 -0.148 0.000) 1.519 10.187 ( -6.212 0.455 0.000) 6.229 ======================= Grid point 16 (10/98) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.089 0.500 0.000) 3.130 1.565 ( 3.879 0.004 0.000) 3.879 1.674 ( 14.285 -1.832 0.000) 14.402 1.825 ( 16.535 2.189 0.000) 16.679 1.993 ( 10.124 -0.018 0.000) 10.124 2.019 ( 8.062 -0.602 0.000) 8.084 2.138 ( 5.797 2.018 0.000) 6.139 2.205 ( -1.608 2.172 0.000) 2.703 2.212 ( 0.359 1.634 0.000) 1.673 2.389 ( -1.329 1.831 0.000) 2.263 2.448 ( -1.503 -0.141 0.000) 1.510 2.459 ( 5.580 1.106 0.000) 5.689 2.461 ( -1.998 -0.822 0.000) 2.160 2.533 ( 1.198 2.814 0.000) 3.058 2.626 ( 2.507 1.724 0.000) 3.043 2.668 ( -3.835 -1.234 0.000) 4.029 2.686 ( 0.875 -1.167 0.000) 1.459 2.710 ( 2.431 -2.427 0.000) 3.435 2.793 ( 0.885 0.415 0.000) 0.978 2.831 ( -0.064 0.660 0.000) 0.663 2.969 ( -0.504 -0.739 0.000) 0.894 3.032 ( -1.002 1.677 0.000) 1.954 3.244 ( 6.902 -0.723 0.000) 6.940 3.290 ( 14.832 -2.757 0.000) 15.086 3.384 ( 0.735 0.528 0.000) 0.905 3.402 ( 0.093 -0.141 0.000) 0.169 3.560 ( 10.951 1.433 0.000) 11.044 3.572 ( 14.802 1.383 0.000) 14.867 3.602 ( 9.387 -2.119 0.000) 9.623 3.668 ( 7.916 0.735 0.000) 7.950 3.684 ( 5.664 -0.233 0.000) 5.669 3.726 ( 5.706 -0.627 0.000) 5.741 3.810 ( 2.755 0.662 0.000) 2.833 3.871 ( -2.323 -2.182 0.000) 3.187 4.166 ( -0.168 -0.637 0.000) 0.659 4.219 ( -1.429 -0.030 0.000) 1.429 5.827 ( 3.048 1.294 0.000) 3.312 5.876 ( 3.580 -0.215 0.000) 3.587 6.446 ( -0.473 -0.869 0.000) 0.989 6.491 ( 4.864 0.427 0.000) 4.882 6.912 ( 7.226 1.140 0.000) 7.315 7.011 ( 6.162 2.157 0.000) 6.528 7.082 ( 4.375 3.325 0.000) 5.495 7.084 ( 1.310 3.539 0.000) 3.773 7.186 ( 4.770 -2.420 0.000) 5.349 7.198 ( 4.896 -4.942 0.000) 6.957 7.409 ( 3.055 -0.136 0.000) 3.058 7.493 ( 7.681 0.353 0.000) 7.689 7.670 ( 1.979 -0.605 0.000) 2.069 7.779 ( 1.035 -0.102 0.000) 1.040 7.996 ( -0.332 -0.356 0.000) 0.486 8.091 ( -0.597 0.406 0.000) 0.722 8.110 ( 0.758 1.003 0.000) 1.257 8.166 ( -2.734 -0.077 0.000) 2.735 8.341 ( -5.921 1.861 0.000) 6.206 8.530 ( -8.168 2.783 0.000) 8.629 8.608 ( -4.607 2.239 0.000) 5.122 8.693 ( -7.259 2.534 0.000) 7.689 9.162 ( 9.724 0.098 0.000) 9.724 9.176 ( 8.777 -0.976 0.000) 8.831 9.378 ( 7.365 1.425 0.000) 7.502 9.386 ( 3.908 1.269 0.000) 4.109 9.413 ( 7.762 -1.741 0.000) 7.955 9.478 ( 7.384 -2.848 0.000) 7.914 10.035 ( 0.060 -0.481 0.000) 0.485 10.092 ( -3.045 0.166 0.000) 3.050 ======================= Grid point 17 (11/98) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 1.490 0.474 0.000) 1.564 1.629 ( 2.561 -0.367 0.000) 2.587 1.932 ( 10.562 -0.700 0.000) 10.585 2.068 ( 8.588 3.222 0.000) 9.172 2.106 ( -1.116 4.020 0.000) 4.172 2.152 ( 0.611 2.795 0.000) 2.861 2.153 ( 4.663 2.163 0.000) 5.140 2.209 ( 1.484 -0.327 0.000) 1.520 2.217 ( 3.102 -1.223 0.000) 3.334 2.338 ( -2.553 1.574 0.000) 3.000 2.404 ( -3.500 -0.301 0.000) 3.513 2.413 ( -2.240 -0.296 0.000) 2.259 2.497 ( 0.606 2.384 0.000) 2.460 2.567 ( 0.259 3.031 0.000) 3.042 2.603 ( -0.135 -3.015 0.000) 3.018 2.662 ( 1.510 -0.134 0.000) 1.515 2.708 ( 1.164 -0.006 0.000) 1.164 2.759 ( 0.863 -2.970 0.000) 3.093 2.811 ( 0.793 -0.159 0.000) 0.808 2.823 ( -0.095 -0.046 0.000) 0.106 2.943 ( -2.233 -0.696 0.000) 2.338 2.983 ( -2.406 2.178 0.000) 3.245 3.348 ( 0.220 -0.293 0.000) 0.366 3.365 ( 2.645 -1.105 0.000) 2.867 3.368 ( -1.413 0.564 0.000) 1.521 3.510 ( 4.988 0.902 0.000) 5.069 3.551 ( -4.766 1.586 0.000) 5.023 3.625 ( -4.784 2.074 0.000) 5.214 3.716 ( 4.737 -0.839 0.000) 4.811 3.780 ( 3.408 -0.609 0.000) 3.462 3.920 ( 11.915 -1.278 0.000) 11.984 3.947 ( 10.168 1.561 0.000) 10.287 3.956 ( 9.763 -2.591 0.000) 10.101 3.971 ( 8.944 -0.327 0.000) 8.950 4.184 ( 1.069 -1.442 0.000) 1.795 4.205 ( -0.231 -0.673 0.000) 0.712 5.854 ( 0.832 2.085 0.000) 2.245 5.965 ( 4.433 -0.473 0.000) 4.459 6.473 ( 2.070 -2.026 0.000) 2.896 6.579 ( 4.009 0.158 0.000) 4.012 7.005 ( 2.299 4.122 0.000) 4.720 7.055 ( 0.113 4.930 0.000) 4.932 7.087 ( 1.277 -0.466 0.000) 1.359 7.146 ( 3.287 -0.988 0.000) 3.433 7.315 ( 6.617 -0.542 0.000) 6.639 7.325 ( 5.722 -2.216 0.000) 6.136 7.487 ( 4.324 -0.264 0.000) 4.332 7.624 ( 5.356 0.987 0.000) 5.446 7.706 ( 1.312 -0.464 0.000) 1.392 7.782 ( -0.556 0.025 0.000) 0.557 7.990 ( -0.440 -0.423 0.000) 0.610 8.074 ( -0.610 0.824 0.000) 1.025 8.093 ( -2.075 1.464 0.000) 2.540 8.150 ( 1.126 0.443 0.000) 1.210 8.214 ( -5.522 1.393 0.000) 5.695 8.355 ( -7.556 2.019 0.000) 7.821 8.494 ( -5.352 2.041 0.000) 5.729 8.535 ( -7.003 1.842 0.000) 7.241 9.310 ( 5.303 0.026 0.000) 5.304 9.320 ( 5.199 -0.049 0.000) 5.200 9.438 ( 2.259 0.427 0.000) 2.299 9.447 ( 2.255 0.375 0.000) 2.286 9.596 ( 7.447 -0.339 0.000) 7.455 9.632 ( 6.182 -1.785 0.000) 6.435 10.054 ( 1.234 -0.657 0.000) 1.398 10.063 ( -0.102 -0.138 0.000) 0.171 ======================= Grid point 18 (12/98) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.340 0.179 0.000) 0.385 1.668 ( 1.137 -0.155 0.000) 1.148 2.011 ( -3.620 3.511 0.000) 5.043 2.090 ( 4.910 0.304 0.000) 4.919 2.095 ( -1.510 2.670 0.000) 3.067 2.141 ( -2.109 0.395 0.000) 2.146 2.197 ( 1.763 0.814 0.000) 1.941 2.268 ( -2.615 -0.114 0.000) 2.617 2.287 ( 1.770 -0.765 0.000) 1.928 2.293 ( 4.154 0.232 0.000) 4.161 2.341 ( -2.369 0.380 0.000) 2.400 2.368 ( -2.396 -0.807 0.000) 2.529 2.485 ( -1.651 -1.628 0.000) 2.319 2.538 ( -0.636 -0.210 0.000) 0.670 2.646 ( 1.944 1.225 0.000) 2.298 2.686 ( 0.737 -0.633 0.000) 0.972 2.733 ( 1.198 0.283 0.000) 1.231 2.776 ( -0.166 -0.515 0.000) 0.541 2.818 ( 0.615 -0.426 0.000) 0.749 2.848 ( 1.831 0.290 0.000) 1.854 2.898 ( -2.295 -0.717 0.000) 2.405 2.932 ( -1.200 1.783 0.000) 2.149 3.317 ( -1.075 -0.864 0.000) 1.379 3.339 ( -0.985 0.211 0.000) 1.008 3.458 ( 3.901 1.080 0.000) 4.048 3.471 ( -2.414 0.469 0.000) 2.460 3.519 ( -3.765 -1.037 0.000) 3.905 3.548 ( -0.518 1.128 0.000) 1.241 3.786 ( 2.236 -0.335 0.000) 2.261 3.816 ( 0.823 -0.125 0.000) 0.832 4.056 ( 2.649 0.729 0.000) 2.747 4.097 ( 3.103 0.337 0.000) 3.122 4.098 ( 4.040 -0.019 0.000) 4.040 4.124 ( 4.283 -0.632 0.000) 4.330 4.220 ( 1.754 -0.923 0.000) 1.982 4.220 ( 1.459 -0.988 0.000) 1.762 5.844 ( -0.806 0.960 0.000) 1.253 6.035 ( 2.029 -0.290 0.000) 2.050 6.533 ( 2.543 -1.223 0.000) 2.822 6.642 ( 2.071 -0.208 0.000) 2.081 6.969 ( -2.581 2.318 0.000) 3.469 6.999 ( -2.925 2.017 0.000) 3.553 7.130 ( 1.512 -0.663 0.000) 1.651 7.206 ( 1.900 -0.577 0.000) 1.986 7.425 ( 3.636 0.311 0.000) 3.649 7.428 ( 3.416 -0.113 0.000) 3.418 7.562 ( 2.416 -0.216 0.000) 2.426 7.681 ( 0.842 0.573 0.000) 1.019 7.727 ( 0.639 -0.169 0.000) 0.661 7.769 ( -0.557 -0.137 0.000) 0.574 7.985 ( -0.266 -0.851 0.000) 0.892 8.043 ( -1.891 0.500 0.000) 1.957 8.055 ( -0.859 1.897 0.000) 2.082 8.132 ( -1.846 -0.300 0.000) 1.870 8.155 ( -0.917 1.960 0.000) 2.164 8.240 ( -2.614 -0.368 0.000) 2.640 8.390 ( -3.708 0.785 0.000) 3.790 8.416 ( -3.769 0.478 0.000) 3.799 9.377 ( 1.562 -0.022 0.000) 1.563 9.385 ( 1.479 0.154 0.000) 1.487 9.468 ( 0.847 0.068 0.000) 0.850 9.474 ( 0.637 0.114 0.000) 0.647 9.700 ( 2.839 0.056 0.000) 2.840 9.727 ( 2.513 -0.697 0.000) 2.608 10.075 ( 0.739 -0.090 0.000) 0.744 10.079 ( 0.761 -0.319 0.000) 0.825 ======================= Grid point 19 (13/98) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -0.820 -0.209 0.000) 0.846 1.673 ( -0.687 0.225 0.000) 0.723 1.958 ( -0.540 -0.724 0.000) 0.903 2.051 ( -2.345 -1.178 0.000) 2.625 2.079 ( -4.152 -0.624 0.000) 4.199 2.131 ( -0.728 -0.386 0.000) 0.824 2.155 ( -5.436 -2.541 0.000) 6.001 2.252 ( 0.812 -1.385 0.000) 1.605 2.289 ( -3.556 -0.172 0.000) 3.560 2.308 ( -0.593 0.896 0.000) 1.074 2.334 ( 1.689 -0.237 0.000) 1.706 2.385 ( 3.226 0.664 0.000) 3.293 2.457 ( -2.442 -3.289 0.000) 4.096 2.529 ( -0.825 -0.853 0.000) 1.187 2.662 ( 0.693 1.792 0.000) 1.921 2.698 ( 0.224 0.212 0.000) 0.308 2.732 ( -1.400 0.323 0.000) 1.436 2.773 ( -0.219 -0.535 0.000) 0.578 2.832 ( 0.537 0.833 0.000) 0.991 2.876 ( 1.525 2.305 0.000) 2.764 2.879 ( -0.180 -2.210 0.000) 2.217 2.926 ( 1.545 1.212 0.000) 1.963 3.327 ( 1.680 -0.120 0.000) 1.684 3.334 ( 0.431 -0.253 0.000) 0.500 3.438 ( -3.403 -0.861 0.000) 3.510 3.455 ( 0.744 -0.809 0.000) 1.099 3.510 ( -1.225 -1.447 0.000) 1.896 3.542 ( 1.509 0.646 0.000) 1.641 3.805 ( -0.370 1.160 0.000) 1.218 3.822 ( -0.005 0.398 0.000) 0.398 4.039 ( -4.172 -0.726 0.000) 4.235 4.093 ( -3.088 -0.069 0.000) 3.088 4.097 ( -3.817 -0.029 0.000) 3.817 4.133 ( -2.994 0.143 0.000) 2.998 4.243 ( 0.223 0.992 0.000) 1.017 4.245 ( 0.198 0.999 0.000) 1.019 5.819 ( -1.665 -1.135 0.000) 2.015 6.041 ( -1.437 0.226 0.000) 1.455 6.565 ( 0.267 1.373 0.000) 1.398 6.647 ( -1.905 0.173 0.000) 1.912 6.913 ( -2.465 -2.233 0.000) 3.326 6.944 ( -2.326 -2.491 0.000) 3.408 7.137 ( -1.047 -0.052 0.000) 1.048 7.218 ( -0.867 0.427 0.000) 0.967 7.429 ( -2.937 0.739 0.000) 3.029 7.444 ( -1.512 1.136 0.000) 1.891 7.565 ( -2.181 -0.021 0.000) 2.181 7.662 ( -2.609 -0.981 0.000) 2.787 7.733 ( -0.004 0.311 0.000) 0.311 7.767 ( 0.249 -0.323 0.000) 0.407 7.997 ( 0.792 -0.633 0.000) 1.013 8.032 ( 0.755 -0.407 0.000) 0.857 8.034 ( 0.097 0.906 0.000) 0.912 8.125 ( -0.557 -0.408 0.000) 0.691 8.126 ( 0.420 -0.824 0.000) 0.925 8.231 ( 0.606 -1.157 0.000) 1.307 8.363 ( 0.986 -1.464 0.000) 1.765 8.398 ( 1.785 -0.944 0.000) 2.019 9.377 ( -1.499 -0.001 0.000) 1.499 9.382 ( -1.712 -0.075 0.000) 1.714 9.468 ( -0.861 0.053 0.000) 0.862 9.471 ( -0.969 -0.135 0.000) 0.978 9.703 ( -2.386 0.259 0.000) 2.400 9.740 ( -1.255 0.446 0.000) 1.332 10.076 ( -0.512 0.059 0.000) 0.515 10.088 ( 0.034 0.408 0.000) 0.409 ======================= Grid point 20 (14/98) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -1.931 -0.622 0.000) 2.029 1.639 ( -2.404 0.480 0.000) 2.451 1.955 ( -8.300 1.251 0.000) 8.394 1.973 ( -9.055 -4.736 0.000) 10.219 1.994 ( 1.774 -5.071 0.000) 5.373 2.080 ( -2.116 -3.258 0.000) 3.885 2.097 ( -3.648 -2.557 0.000) 4.455 2.213 ( -3.621 0.144 0.000) 3.624 2.244 ( -5.155 0.865 0.000) 5.227 2.280 ( -0.007 -2.872 0.000) 2.872 2.384 ( 2.259 -1.299 0.000) 2.606 2.436 ( -1.142 -3.435 0.000) 3.620 2.444 ( 3.484 1.538 0.000) 3.808 2.514 ( -1.342 -0.535 0.000) 1.445 2.665 ( 1.024 1.744 0.000) 2.022 2.667 ( -3.196 0.525 0.000) 3.239 2.710 ( -0.135 0.136 0.000) 0.191 2.768 ( -1.151 -1.604 0.000) 1.974 2.827 ( -0.179 2.236 0.000) 2.243 2.878 ( 0.145 3.101 0.000) 3.104 2.911 ( 1.300 -3.903 0.000) 4.114 2.968 ( 2.924 1.453 0.000) 3.265 3.350 ( -2.402 -0.159 0.000) 2.407 3.353 ( 0.998 -0.652 0.000) 1.192 3.390 ( 1.064 0.858 0.000) 1.366 3.482 ( -3.002 -2.478 0.000) 3.893 3.502 ( 2.623 -2.450 0.000) 3.589 3.561 ( -0.540 -1.609 0.000) 1.698 3.762 ( -2.918 2.379 0.000) 3.764 3.797 ( -2.775 0.782 0.000) 2.884 3.904 ( -9.913 -1.702 0.000) 10.058 3.954 ( -9.872 1.281 0.000) 9.955 3.977 ( -8.381 0.364 0.000) 8.389 4.021 ( -6.469 2.450 0.000) 6.918 4.222 ( -1.243 1.699 0.000) 2.105 4.228 ( -0.653 1.228 0.000) 1.391 5.796 ( -1.640 -2.663 0.000) 3.127 5.980 ( -4.206 0.746 0.000) 4.272 6.530 ( -2.231 2.547 0.000) 3.386 6.574 ( -4.907 -0.257 0.000) 4.914 6.889 ( -2.744 -5.338 0.000) 6.002 6.931 ( -1.782 -5.358 0.000) 5.647 7.095 ( -2.918 0.105 0.000) 2.920 7.169 ( -3.472 1.079 0.000) 3.635 7.328 ( -5.857 0.790 0.000) 5.910 7.378 ( -3.585 2.077 0.000) 4.143 7.494 ( -4.284 0.155 0.000) 4.287 7.591 ( -5.296 -1.733 0.000) 5.573 7.724 ( -0.588 1.031 0.000) 1.187 7.777 ( 0.452 -0.372 0.000) 0.585 8.005 ( 0.329 0.789 0.000) 0.855 8.052 ( 1.186 -0.785 0.000) 1.422 8.059 ( 1.182 -1.086 0.000) 1.605 8.129 ( 0.245 -1.264 0.000) 1.288 8.172 ( 3.471 -2.218 0.000) 4.119 8.293 ( 4.527 -3.254 0.000) 5.575 8.427 ( 3.426 -3.524 0.000) 4.915 8.478 ( 4.706 -2.809 0.000) 5.481 9.310 ( -5.351 0.009 0.000) 5.351 9.322 ( -4.387 0.090 0.000) 4.388 9.432 ( -2.848 -0.097 0.000) 2.850 9.438 ( -2.550 -0.339 0.000) 2.573 9.611 ( -6.348 0.784 0.000) 6.396 9.671 ( -5.012 1.459 0.000) 5.220 10.065 ( -0.234 0.170 0.000) 0.289 10.074 ( -0.738 0.899 0.000) 1.163 ======================= Grid point 21 (15/98) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -2.964 -0.881 0.000) 3.092 1.570 ( -4.787 0.413 0.000) 4.804 1.743 ( -10.927 4.082 0.000) 11.664 1.754 ( -14.791 -3.210 0.000) 15.136 1.993 ( -7.539 -0.134 0.000) 7.540 2.009 ( -3.281 -2.923 0.000) 4.394 2.097 ( -9.094 -0.275 0.000) 9.098 2.120 ( 2.588 -5.146 0.000) 5.760 2.163 ( -2.084 -2.197 0.000) 3.029 2.280 ( -1.960 -5.369 0.000) 5.715 2.422 ( 0.638 -2.031 0.000) 2.129 2.447 ( -2.306 -3.628 0.000) 4.299 2.478 ( 0.018 1.328 0.000) 1.328 2.506 ( 3.416 2.202 0.000) 4.064 2.587 ( -5.050 -1.204 0.000) 5.191 2.694 ( 2.452 0.572 0.000) 2.518 2.709 ( 0.074 0.629 0.000) 0.633 2.736 ( -3.635 -2.512 0.000) 4.419 2.792 ( -2.331 2.870 0.000) 3.697 2.848 ( -1.325 2.033 0.000) 2.427 2.956 ( 0.581 -4.185 0.000) 4.225 3.006 ( 1.197 1.913 0.000) 2.256 3.263 ( -6.608 0.198 0.000) 6.611 3.362 ( -1.360 -1.291 0.000) 1.875 3.367 ( -8.338 2.606 0.000) 8.735 3.415 ( -1.860 1.411 0.000) 2.334 3.498 ( -6.253 -3.148 0.000) 7.001 3.531 ( -4.372 -2.167 0.000) 4.880 3.662 ( -6.431 2.597 0.000) 6.935 3.670 ( -13.882 -0.738 0.000) 13.902 3.677 ( -8.549 1.651 0.000) 8.707 3.761 ( -4.833 1.684 0.000) 5.118 3.804 ( -6.350 0.077 0.000) 6.350 3.925 ( -0.906 2.209 0.000) 2.388 4.190 ( -0.787 1.239 0.000) 1.467 4.221 ( 0.634 0.177 0.000) 0.658 5.780 ( -1.607 -2.415 0.000) 2.901 5.886 ( -4.237 0.570 0.000) 4.276 6.473 ( -5.433 -1.180 0.000) 5.560 6.473 ( -1.874 1.066 0.000) 2.156 6.842 ( -5.139 -4.731 0.000) 6.985 6.909 ( -3.750 -4.912 0.000) 6.180 7.032 ( -3.637 -0.692 0.000) 3.702 7.071 ( -5.813 0.869 0.000) 5.878 7.222 ( -3.648 0.809 0.000) 3.737 7.294 ( -3.309 3.382 0.000) 4.731 7.414 ( -3.491 0.068 0.000) 3.492 7.478 ( -6.433 -0.824 0.000) 6.485 7.698 ( -1.191 1.796 0.000) 2.155 7.782 ( -0.218 0.087 0.000) 0.234 8.010 ( 0.677 0.889 0.000) 1.117 8.077 ( 0.890 -0.608 0.000) 1.078 8.082 ( 0.532 -1.144 0.000) 1.261 8.158 ( 2.103 -0.935 0.000) 2.301 8.273 ( 4.627 -3.673 0.000) 5.907 8.429 ( 6.137 -5.490 0.000) 8.234 8.521 ( 3.287 -4.956 0.000) 5.947 8.600 ( 5.067 -4.900 0.000) 7.049 9.166 ( -8.965 0.331 0.000) 8.971 9.203 ( -7.214 1.199 0.000) 7.313 9.353 ( -5.782 -0.532 0.000) 5.806 9.369 ( -4.794 -0.406 0.000) 4.811 9.456 ( -7.725 1.824 0.000) 7.937 9.541 ( -6.438 2.225 0.000) 6.812 10.053 ( -0.271 0.926 0.000) 0.965 10.085 ( 2.108 -0.359 0.000) 2.139 ======================= Grid point 22 (16/98) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -11.248 2.703 0.000) 11.568 1.404 ( -7.345 0.443 0.000) 7.358 1.432 ( -18.129 0.735 0.000) 18.144 1.551 ( -5.112 3.973 0.000) 6.475 1.828 ( -7.491 2.708 0.000) 7.965 1.899 ( -9.334 2.221 0.000) 9.595 1.922 ( -7.276 -2.821 0.000) 7.804 2.143 ( -1.762 -3.350 0.000) 3.785 2.172 ( -0.428 -2.805 0.000) 2.837 2.264 ( -4.409 -6.599 0.000) 7.936 2.362 ( -5.291 0.395 0.000) 5.306 2.433 ( -3.024 -0.531 0.000) 3.070 2.445 ( -7.853 -2.989 0.000) 8.402 2.513 ( 1.555 -0.350 0.000) 1.594 2.558 ( 1.586 1.073 0.000) 1.915 2.604 ( -12.725 -0.960 0.000) 12.761 2.685 ( -6.157 3.082 0.000) 6.885 2.700 ( -0.696 1.523 0.000) 1.675 2.747 ( 2.488 -0.364 0.000) 2.515 2.822 ( -1.436 -0.831 0.000) 1.659 2.958 ( -5.373 1.994 0.000) 5.731 2.972 ( -1.366 -3.814 0.000) 4.051 2.976 ( -15.389 5.025 0.000) 16.188 3.237 ( -3.823 3.487 0.000) 5.174 3.248 ( -12.455 -1.772 0.000) 12.581 3.275 ( -9.218 -3.212 0.000) 9.761 3.337 ( -9.609 4.789 0.000) 10.736 3.423 ( -5.900 1.351 0.000) 6.053 3.442 ( -10.932 3.282 0.000) 11.414 3.445 ( -7.144 2.085 0.000) 7.442 3.514 ( -6.380 2.154 0.000) 6.734 3.741 ( -2.164 -2.383 0.000) 3.218 3.771 ( 2.349 -2.634 0.000) 3.529 3.933 ( 1.125 -1.284 0.000) 1.707 4.191 ( 1.519 0.094 0.000) 1.521 4.256 ( 2.680 -0.468 0.000) 2.720 5.749 ( -2.503 -0.234 0.000) 2.514 5.832 ( -0.715 -0.860 0.000) 1.119 6.382 ( -4.257 -1.357 0.000) 4.468 6.459 ( 0.385 -1.650 0.000) 1.694 6.742 ( -6.502 -1.782 0.000) 6.742 6.828 ( -6.672 -2.561 0.000) 7.146 6.925 ( -8.817 -0.189 0.000) 8.819 6.943 ( -6.429 -2.687 0.000) 6.968 7.197 ( 1.691 1.589 0.000) 2.321 7.198 ( -3.857 5.897 0.000) 7.046 7.362 ( -1.690 -0.504 0.000) 1.764 7.365 ( -4.517 0.677 0.000) 4.567 7.659 ( -1.317 2.602 0.000) 2.917 7.765 ( -0.963 1.683 0.000) 1.939 8.021 ( 0.990 1.178 0.000) 1.539 8.094 ( 0.587 -0.256 0.000) 0.640 8.101 ( 1.041 -0.520 0.000) 1.164 8.218 ( 3.225 -1.084 0.000) 3.402 8.384 ( 3.906 -4.557 0.000) 6.002 8.582 ( 5.405 -6.820 0.000) 8.702 8.600 ( 1.210 -5.495 0.000) 5.627 8.720 ( 3.383 -6.682 0.000) 7.489 8.961 ( -10.831 1.258 0.000) 10.903 9.036 ( -7.748 3.028 0.000) 8.318 9.183 ( -9.917 1.801 0.000) 10.079 9.253 ( -6.669 -0.029 0.000) 6.669 9.327 ( -4.920 0.624 0.000) 4.959 9.411 ( -5.150 2.272 0.000) 5.629 10.058 ( 1.179 0.543 0.000) 1.298 10.160 ( 4.827 -1.694 0.000) 5.115 ======================= Grid point 23 (17/98) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -18.020 7.733 0.000) 19.609 1.037 ( -19.250 6.548 0.000) 20.333 1.287 ( -5.925 3.799 0.000) 7.038 1.453 ( -3.338 2.423 0.000) 4.125 1.696 ( -4.226 2.283 0.000) 4.804 1.711 ( -8.121 0.283 0.000) 8.126 1.781 ( -7.882 -1.061 0.000) 7.953 1.927 ( -28.681 11.166 0.000) 30.778 2.091 ( -10.596 1.102 0.000) 10.654 2.154 ( -7.464 -2.408 0.000) 7.843 2.185 ( -9.003 -2.846 0.000) 9.442 2.244 ( -1.743 0.630 0.000) 1.853 2.369 ( -7.114 1.901 0.000) 7.364 2.410 ( -4.434 -0.871 0.000) 4.518 2.532 ( 0.075 2.455 0.000) 2.456 2.564 ( -0.316 0.873 0.000) 0.928 2.566 ( -4.916 -1.223 0.000) 5.066 2.659 ( -1.486 1.627 0.000) 2.204 2.688 ( -8.807 0.357 0.000) 8.814 2.781 ( 0.584 0.833 0.000) 1.017 2.837 ( -2.214 -2.527 0.000) 3.359 2.841 ( -3.855 -0.209 0.000) 3.860 2.948 ( -3.026 -2.523 0.000) 3.940 2.993 ( -10.647 2.348 0.000) 10.903 3.072 ( -9.333 -1.797 0.000) 9.505 3.149 ( -6.333 -1.839 0.000) 6.595 3.199 ( -4.918 2.724 0.000) 5.622 3.208 ( -11.643 -1.011 0.000) 11.687 3.256 ( -6.548 1.870 0.000) 6.810 3.319 ( -3.318 6.849 0.000) 7.610 3.408 ( -3.483 4.468 0.000) 5.665 3.721 ( -0.996 -1.186 0.000) 1.548 3.830 ( 1.350 -4.213 0.000) 4.424 3.970 ( 0.947 -4.055 0.000) 4.164 4.243 ( 3.099 -0.750 0.000) 3.188 4.319 ( 3.032 -0.459 0.000) 3.066 5.688 ( -2.791 1.828 0.000) 3.336 5.874 ( 3.514 -3.315 0.000) 4.831 6.325 ( -2.092 -0.839 0.000) 2.254 6.491 ( 0.544 -2.629 0.000) 2.684 6.614 ( -6.526 0.726 0.000) 6.566 6.673 ( -9.413 -0.163 0.000) 9.415 6.726 ( -10.942 -1.543 0.000) 11.050 6.813 ( -9.350 -6.882 0.000) 11.610 7.091 ( -2.146 9.001 0.000) 9.253 7.242 ( 3.395 3.568 0.000) 4.925 7.298 ( -1.779 1.087 0.000) 2.085 7.365 ( 2.367 -0.412 0.000) 2.402 7.622 ( -0.635 3.416 0.000) 3.475 7.731 ( -0.347 4.471 0.000) 4.485 8.037 ( 1.390 1.582 0.000) 2.106 8.107 ( 0.750 -0.072 0.000) 0.754 8.130 ( 1.553 -0.218 0.000) 1.568 8.293 ( 3.543 -1.269 0.000) 3.763 8.464 ( 0.858 -4.740 0.000) 4.817 8.601 ( -4.526 -3.736 0.000) 5.869 8.678 ( -1.422 -6.490 0.000) 6.644 8.750 ( -8.337 1.875 0.000) 8.545 8.804 ( 1.498 -7.482 0.000) 7.631 8.903 ( -2.705 3.630 0.000) 4.527 9.007 ( -5.342 2.282 0.000) 5.809 9.126 ( -4.865 1.365 0.000) 5.052 9.232 ( -4.704 -0.284 0.000) 4.713 9.311 ( -4.147 1.230 0.000) 4.326 10.088 ( 1.883 0.178 0.000) 1.892 10.289 ( 6.427 -3.313 0.000) 7.231 ======================= Grid point 24 (18/98) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -17.407 12.662 0.000) 21.525 0.611 ( -17.111 14.557 0.000) 22.465 1.141 ( -4.088 9.017 0.000) 9.901 1.165 ( -34.088 23.963 0.000) 41.668 1.329 ( -9.754 4.933 0.000) 10.931 1.594 ( -3.396 0.429 0.000) 3.423 1.619 ( -3.341 -3.008 0.000) 4.495 1.653 ( -5.924 -2.896 0.000) 6.594 1.815 ( -6.207 6.277 0.000) 8.828 2.019 ( -6.183 -0.887 0.000) 6.246 2.158 ( -0.467 -3.204 0.000) 3.238 2.185 ( -5.465 6.545 0.000) 8.527 2.256 ( 0.362 3.552 0.000) 3.571 2.261 ( -8.391 1.050 0.000) 8.457 2.365 ( -10.571 0.574 0.000) 10.586 2.564 ( 3.272 2.371 0.000) 4.040 2.566 ( 0.584 -1.281 0.000) 1.407 2.648 ( 0.407 -4.808 0.000) 4.825 2.657 ( 1.448 0.128 0.000) 1.454 2.751 ( -3.801 -0.391 0.000) 3.821 2.780 ( -3.760 0.370 0.000) 3.778 2.784 ( -3.677 -1.484 0.000) 3.965 2.803 ( -7.504 1.298 0.000) 7.615 2.880 ( -2.171 2.197 0.000) 3.089 2.984 ( -2.497 -3.881 0.000) 4.615 2.991 ( -7.236 -1.787 0.000) 7.453 3.065 ( -6.050 2.114 0.000) 6.409 3.068 ( -6.880 -4.984 0.000) 8.495 3.167 ( -1.649 -0.053 0.000) 1.650 3.250 ( 0.037 7.597 0.000) 7.597 3.346 ( 0.371 4.086 0.000) 4.103 3.708 ( -0.474 0.844 0.000) 0.968 3.868 ( 0.303 -3.794 0.000) 3.806 4.017 ( 1.874 -3.502 0.000) 3.971 4.308 ( 2.616 -1.000 0.000) 2.800 4.371 ( 1.874 -0.312 0.000) 1.900 5.630 ( -1.621 2.414 0.000) 2.908 5.986 ( 4.473 -5.559 0.000) 7.135 6.304 ( -0.432 0.081 0.000) 0.440 6.404 ( -9.007 2.174 0.000) 9.266 6.488 ( -5.047 1.756 0.000) 5.344 6.501 ( -6.729 1.394 0.000) 6.872 6.618 ( -1.194 -6.189 0.000) 6.303 6.628 ( -16.935 -14.240 0.000) 22.126 7.013 ( -0.430 10.410 0.000) 10.419 7.271 ( 1.124 1.900 0.000) 2.207 7.279 ( 0.046 0.321 0.000) 0.324 7.476 ( 8.697 2.479 0.000) 9.044 7.606 ( 2.675 5.472 0.000) 6.091 7.723 ( 5.096 10.503 0.000) 11.675 8.055 ( 1.288 2.251 0.000) 2.593 8.130 ( 1.556 -0.443 0.000) 1.618 8.161 ( 1.353 -0.137 0.000) 1.360 8.364 ( 2.514 -1.590 0.000) 2.974 8.437 ( -5.632 -2.684 0.000) 6.239 8.486 ( -5.489 0.102 0.000) 5.489 8.604 ( -6.941 -4.024 0.000) 8.023 8.662 ( -0.523 -0.061 0.000) 0.527 8.834 ( -4.437 -6.572 0.000) 7.930 8.877 ( 0.575 1.859 0.000) 1.946 8.964 ( 1.721 -0.868 0.000) 1.927 9.066 ( -1.434 0.291 0.000) 1.463 9.142 ( -5.151 -1.608 0.000) 5.396 9.228 ( -3.834 0.070 0.000) 3.834 10.121 ( 1.340 0.049 0.000) 1.341 10.432 ( 5.111 -4.298 0.000) 6.678 ======================= Grid point 25 (19/98) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 0.000 21.821 0.000) 21.821 0.280 ( 0.000 24.445 0.000) 24.445 0.496 ( 0.000 43.608 0.000) 43.608 1.051 ( 0.000 11.565 0.000) 11.565 1.133 ( 0.000 3.829 0.000) 3.829 1.552 ( 0.000 2.966 0.000) 2.966 1.618 ( -0.000 -5.195 0.000) 5.195 1.623 ( -0.000 -8.050 0.000) 8.050 1.746 ( 0.000 6.219 0.000) 6.219 1.953 ( -0.000 -0.012 0.000) 0.012 2.069 ( 0.000 10.506 0.000) 10.506 2.156 ( 0.000 0.708 0.000) 0.708 2.171 ( -0.000 -2.342 0.000) 2.342 2.249 ( -0.000 -0.786 0.000) 0.786 2.253 ( 0.000 2.146 0.000) 2.146 2.584 ( -0.000 -1.364 0.000) 1.364 2.603 ( 0.000 3.394 0.000) 3.394 2.642 ( -0.000 -0.333 0.000) 0.333 2.701 ( -0.000 -1.120 0.000) 1.120 2.703 ( -0.000 -0.794 0.000) 0.794 2.707 ( -0.000 -3.837 0.000) 3.837 2.717 ( 0.000 0.043 0.000) 0.043 2.730 ( 0.000 0.480 0.000) 0.480 2.856 ( 0.000 3.196 0.000) 3.196 2.937 ( -0.000 -0.399 0.000) 0.399 2.953 ( -0.000 -0.252 0.000) 0.252 2.964 ( -0.000 -0.618 0.000) 0.618 3.012 ( -0.000 -2.908 0.000) 2.908 3.166 ( -0.000 -0.179 0.000) 0.179 3.214 ( 0.000 6.412 0.000) 6.412 3.382 ( -0.000 -1.740 0.000) 1.740 3.696 ( 0.000 1.489 0.000) 1.489 3.888 ( -0.000 -2.588 0.000) 2.588 4.098 ( -0.000 -4.189 0.000) 4.189 4.342 ( -0.000 -0.794 0.000) 0.794 4.393 ( -0.000 -0.092 0.000) 0.092 5.602 ( 0.000 1.871 0.000) 1.871 6.073 ( -0.000 -5.584 0.000) 5.584 6.266 ( 0.000 2.266 0.000) 2.266 6.281 ( 0.000 2.174 0.000) 2.174 6.299 ( 0.000 0.835 0.000) 0.835 6.418 ( 0.000 1.574 0.000) 1.574 6.421 ( 0.000 1.622 0.000) 1.622 6.651 ( -0.000 -6.273 0.000) 6.273 6.952 ( 0.000 9.506 0.000) 9.506 7.272 ( 0.000 1.022 0.000) 1.022 7.283 ( -0.000 -0.140 0.000) 0.140 7.549 ( -0.000 -1.773 0.000) 1.773 7.647 ( 0.000 2.510 0.000) 2.510 8.056 ( 0.000 2.068 0.000) 2.068 8.106 ( -0.000 -1.602 0.000) 1.602 8.158 ( -0.000 -0.478 0.000) 0.478 8.182 ( 0.000 0.729 0.000) 0.729 8.348 ( -0.000 -1.177 0.000) 1.177 8.364 ( -0.000 -1.158 0.000) 1.158 8.411 ( 0.000 0.396 0.000) 0.396 8.431 ( 0.000 0.539 0.000) 0.539 8.667 ( -0.000 -0.666 0.000) 0.666 8.732 ( -0.000 -0.306 0.000) 0.306 8.878 ( 0.000 1.108 0.000) 1.108 9.004 ( 0.000 0.003 0.000) 0.003 9.037 ( 0.000 0.051 0.000) 0.051 9.053 ( -0.000 -3.557 0.000) 3.557 9.171 ( 0.000 2.907 0.000) 2.907 10.135 ( 0.000 0.029 0.000) 0.029 10.511 ( -0.000 -3.621 0.000) 3.621 ======================= Grid point 28 (20/98) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 3.158 -0.000 0.000) 3.158 1.565 ( 3.348 -0.000 0.000) 3.348 1.663 ( 15.086 -0.000 0.000) 15.086 1.838 ( 16.574 -0.000 0.000) 16.574 1.993 ( 10.434 -0.000 0.000) 10.434 2.016 ( 8.679 -0.000 0.000) 8.679 2.151 ( 5.330 -0.000 0.000) 5.330 2.218 ( -1.461 0.000 0.000) 1.461 2.222 ( 0.104 -0.000 0.000) 0.104 2.396 ( -1.248 0.000 0.000) 1.248 2.444 ( -2.158 0.000 0.000) 2.158 2.459 ( -1.169 0.000 0.000) 1.169 2.469 ( 6.131 -0.000 0.000) 6.131 2.551 ( 1.088 -0.000 0.000) 1.088 2.638 ( 1.641 -0.000 0.000) 1.641 2.659 ( -2.622 0.000 0.000) 2.622 2.678 ( 1.499 -0.000 0.000) 1.499 2.695 ( 0.952 -0.000 0.000) 0.952 2.794 ( -0.488 0.000 0.000) 0.488 2.836 ( 0.440 -0.000 0.000) 0.440 2.965 ( -0.424 0.000 0.000) 0.424 3.041 ( -1.072 0.000 0.000) 1.072 3.240 ( 5.010 -0.000 0.000) 5.010 3.273 ( 17.851 -0.000 0.000) 17.851 3.387 ( 0.727 -0.000 0.000) 0.727 3.401 ( 0.183 -0.000 0.000) 0.183 3.570 ( 9.652 -0.000 0.000) 9.652 3.581 ( 18.541 -0.000 0.000) 18.541 3.587 ( 11.279 -0.000 0.000) 11.279 3.673 ( 8.755 -0.000 0.000) 8.755 3.681 ( -0.983 0.000 0.000) 0.983 3.723 ( 9.059 -0.000 0.000) 9.059 3.816 ( 2.020 -0.000 0.000) 2.020 3.856 ( -3.247 0.000 0.000) 3.247 4.163 ( -0.342 0.000 0.000) 0.342 4.219 ( -1.537 0.000 0.000) 1.537 5.834 ( 3.301 -0.000 0.000) 3.301 5.875 ( 3.479 -0.000 0.000) 3.479 6.441 ( -0.825 0.000 0.000) 0.825 6.494 ( 4.795 -0.000 0.000) 4.795 6.918 ( 7.455 -0.000 0.000) 7.455 7.020 ( 6.506 -0.000 0.000) 6.506 7.111 ( -0.796 0.000 0.000) 0.796 7.122 ( 2.025 -0.000 0.000) 2.025 7.151 ( 7.271 -0.000 0.000) 7.271 7.166 ( 6.760 -0.000 0.000) 6.760 7.409 ( 2.995 -0.000 0.000) 2.995 7.494 ( 7.853 -0.000 0.000) 7.853 7.667 ( 2.080 -0.000 0.000) 2.080 7.779 ( 1.153 -0.000 0.000) 1.153 7.994 ( -0.268 0.000 0.000) 0.268 8.093 ( -0.566 0.000 0.000) 0.566 8.117 ( 1.182 -0.000 0.000) 1.182 8.166 ( -3.031 0.000 0.000) 3.031 8.352 ( -6.145 0.000 0.000) 6.145 8.546 ( -8.522 0.000 0.000) 8.522 8.621 ( -4.845 0.000 0.000) 4.845 8.708 ( -7.678 0.000 0.000) 7.678 9.164 ( 10.096 -0.000 0.000) 10.096 9.169 ( 8.828 -0.000 0.000) 8.828 9.391 ( 9.626 -0.000 0.000) 9.626 9.395 ( 3.076 -0.000 0.000) 3.076 9.400 ( 5.712 -0.000 0.000) 5.712 9.458 ( 8.375 -0.000 0.000) 8.375 10.032 ( 0.022 -0.000 0.000) 0.022 10.093 ( -3.187 0.000 0.000) 3.187 ======================= Grid point 29 (21/98) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.344 0.178 0.000) 1.356 1.626 ( 2.634 -0.138 0.000) 2.638 1.927 ( 11.044 -0.245 0.000) 11.047 2.094 ( 8.891 1.158 0.000) 8.967 2.140 ( 0.273 1.664 0.000) 1.687 2.172 ( 6.888 1.045 0.000) 6.967 2.178 ( 1.097 1.534 0.000) 1.886 2.204 ( 0.639 -1.000 0.000) 1.187 2.205 ( -1.149 -0.345 0.000) 1.199 2.349 ( -2.986 0.428 0.000) 3.017 2.397 ( -2.632 -0.470 0.000) 2.674 2.415 ( -2.903 0.202 0.000) 2.910 2.526 ( -1.512 2.648 0.000) 3.049 2.561 ( -2.865 -2.843 0.000) 4.036 2.603 ( 3.209 1.572 0.000) 3.574 2.660 ( 0.935 -0.062 0.000) 0.937 2.708 ( 1.521 0.026 0.000) 1.521 2.729 ( 1.700 -1.779 0.000) 2.461 2.806 ( 1.469 -0.260 0.000) 1.492 2.829 ( -0.750 0.417 0.000) 0.858 2.937 ( -2.095 -0.233 0.000) 2.108 3.000 ( -2.574 0.761 0.000) 2.684 3.345 ( -1.971 -0.127 0.000) 1.975 3.356 ( 5.452 -0.508 0.000) 5.475 3.373 ( -1.543 0.222 0.000) 1.559 3.519 ( 5.479 0.489 0.000) 5.501 3.563 ( -5.574 0.581 0.000) 5.604 3.636 ( -5.697 0.177 0.000) 5.699 3.716 ( 3.988 0.347 0.000) 4.003 3.775 ( 3.721 -0.234 0.000) 3.729 3.909 ( 13.050 -0.534 0.000) 13.061 3.934 ( 10.964 -1.170 0.000) 11.026 3.960 ( 9.971 0.654 0.000) 9.992 3.969 ( 9.375 -0.091 0.000) 9.375 4.172 ( 0.953 -0.580 0.000) 1.116 4.200 ( -0.477 -0.233 0.000) 0.531 5.871 ( 0.561 0.792 0.000) 0.970 5.961 ( 4.468 -0.169 0.000) 4.472 6.457 ( 2.141 -0.769 0.000) 2.275 6.580 ( 3.817 0.056 0.000) 3.818 7.039 ( 4.273 1.761 0.000) 4.622 7.082 ( -1.639 -0.396 0.000) 1.686 7.101 ( -1.293 3.003 0.000) 3.269 7.133 ( 3.169 -1.371 0.000) 3.453 7.306 ( 7.320 -0.978 0.000) 7.385 7.310 ( 7.238 -0.243 0.000) 7.242 7.485 ( 4.359 -0.084 0.000) 4.359 7.631 ( 5.338 0.331 0.000) 5.348 7.703 ( 1.461 -0.147 0.000) 1.469 7.782 ( -0.617 -0.016 0.000) 0.617 7.987 ( -0.486 -0.141 0.000) 0.506 8.081 ( -0.425 0.298 0.000) 0.519 8.106 ( -2.790 0.616 0.000) 2.857 8.153 ( 2.042 0.074 0.000) 2.043 8.225 ( -6.105 0.515 0.000) 6.127 8.371 ( -8.414 0.748 0.000) 8.447 8.510 ( -5.868 0.712 0.000) 5.911 8.550 ( -7.665 0.651 0.000) 7.692 9.310 ( 5.245 0.013 0.000) 5.245 9.320 ( 5.474 -0.017 0.000) 5.474 9.442 ( 1.968 0.220 0.000) 1.980 9.450 ( 2.038 0.150 0.000) 2.044 9.595 ( 7.907 0.118 0.000) 7.908 9.615 ( 6.666 -0.976 0.000) 6.737 10.049 ( 1.316 -0.247 0.000) 1.339 10.062 ( -0.125 -0.048 0.000) 0.134 ======================= Grid point 30 (22/98) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.168 0.100 0.000) 0.196 1.667 ( 1.304 -0.079 0.000) 1.306 2.049 ( -4.598 2.862 0.000) 5.416 2.092 ( 5.252 0.137 0.000) 5.254 2.126 ( -3.234 2.472 0.000) 4.071 2.144 ( -3.255 0.218 0.000) 3.263 2.199 ( 1.097 -0.395 0.000) 1.166 2.262 ( -5.584 -0.756 0.000) 5.635 2.282 ( 3.902 -0.101 0.000) 3.904 2.296 ( 4.410 0.151 0.000) 4.412 2.346 ( -2.486 0.470 0.000) 2.530 2.359 ( -2.196 -0.724 0.000) 2.312 2.461 ( -3.254 -2.155 0.000) 3.902 2.535 ( -0.859 -0.302 0.000) 0.911 2.662 ( 2.116 1.116 0.000) 2.392 2.680 ( 0.908 -0.393 0.000) 0.989 2.736 ( 1.207 0.200 0.000) 1.224 2.770 ( 1.011 -0.372 0.000) 1.077 2.816 ( 0.438 -0.001 0.000) 0.438 2.853 ( 2.972 0.526 0.000) 3.019 2.892 ( -2.497 -0.402 0.000) 2.529 2.948 ( -1.622 1.059 0.000) 1.938 3.308 ( -0.959 -0.627 0.000) 1.146 3.341 ( -1.219 0.121 0.000) 1.225 3.468 ( 4.922 0.497 0.000) 4.947 3.474 ( -2.963 0.212 0.000) 2.971 3.510 ( -5.559 -0.395 0.000) 5.573 3.557 ( -0.871 0.389 0.000) 0.954 3.785 ( 2.711 0.006 0.000) 2.711 3.815 ( 1.248 -0.032 0.000) 1.248 4.063 ( 2.258 0.467 0.000) 2.306 4.097 ( 3.695 -0.051 0.000) 3.696 4.102 ( 3.462 0.511 0.000) 3.499 4.117 ( 4.387 -0.726 0.000) 4.447 4.211 ( 2.080 -0.583 0.000) 2.160 4.211 ( 2.750 -0.537 0.000) 2.802 5.853 ( -1.765 0.535 0.000) 1.844 6.032 ( 2.207 -0.181 0.000) 2.214 6.522 ( 3.531 -0.692 0.000) 3.599 6.640 ( 2.042 -0.125 0.000) 2.046 6.991 ( -4.580 1.503 0.000) 4.820 7.017 ( -4.951 1.115 0.000) 5.075 7.122 ( 1.964 -0.673 0.000) 2.076 7.200 ( 2.351 -0.443 0.000) 2.392 7.429 ( 4.309 0.203 0.000) 4.314 7.430 ( 4.087 0.415 0.000) 4.108 7.560 ( 2.405 -0.172 0.000) 2.412 7.685 ( 0.224 0.235 0.000) 0.325 7.726 ( 0.814 -0.072 0.000) 0.817 7.767 ( -0.681 -0.165 0.000) 0.700 7.978 ( -0.435 -0.466 0.000) 0.638 8.048 ( -2.436 0.286 0.000) 2.453 8.075 ( -0.157 1.548 0.000) 1.556 8.126 ( -2.977 -0.611 0.000) 3.039 8.177 ( -0.324 1.885 0.000) 1.912 8.232 ( -4.209 -0.920 0.000) 4.308 8.397 ( -4.661 0.349 0.000) 4.674 8.419 ( -4.508 0.183 0.000) 4.512 9.376 ( 1.548 -0.009 0.000) 1.548 9.386 ( 1.425 0.096 0.000) 1.429 9.469 ( 0.781 0.095 0.000) 0.787 9.475 ( 0.517 0.034 0.000) 0.518 9.701 ( 2.905 0.215 0.000) 2.913 9.719 ( 3.135 -0.584 0.000) 3.188 10.073 ( 0.784 -0.126 0.000) 0.794 10.076 ( 1.091 -0.105 0.000) 1.096 ======================= Grid point 31 (23/98) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.016 -0.150 0.000) 1.027 1.675 ( -0.511 0.174 0.000) 0.540 1.959 ( -2.778 0.888 0.000) 2.916 2.040 ( -4.715 -0.885 0.000) 4.798 2.072 ( -4.046 -0.536 0.000) 4.082 2.127 ( -6.499 -2.226 0.000) 6.870 2.128 ( -1.615 -0.241 0.000) 1.633 2.235 ( 0.680 -1.583 0.000) 1.723 2.287 ( -3.331 -0.097 0.000) 3.332 2.317 ( -0.572 0.660 0.000) 0.873 2.332 ( 1.277 -0.155 0.000) 1.286 2.391 ( 3.637 0.442 0.000) 3.663 2.421 ( -2.403 -2.784 0.000) 3.678 2.520 ( -0.785 -0.654 0.000) 1.022 2.678 ( 0.459 1.050 0.000) 1.145 2.698 ( 0.679 -0.074 0.000) 0.683 2.738 ( -1.266 0.608 0.000) 1.404 2.767 ( -0.775 -0.493 0.000) 0.919 2.844 ( 1.706 1.249 0.000) 2.114 2.856 ( -1.290 -1.763 0.000) 2.184 2.900 ( 1.981 1.758 0.000) 2.649 2.939 ( 1.458 1.013 0.000) 1.775 3.324 ( 2.200 -0.291 0.000) 2.219 3.331 ( 0.225 -0.198 0.000) 0.300 3.424 ( -3.667 -1.461 0.000) 3.947 3.447 ( 0.011 -0.648 0.000) 0.649 3.501 ( -2.745 -0.187 0.000) 2.751 3.547 ( 1.782 0.305 0.000) 1.808 3.817 ( 0.441 0.917 0.000) 1.018 3.826 ( 0.080 0.383 0.000) 0.391 4.032 ( -4.814 -0.509 0.000) 4.840 4.092 ( -3.315 0.013 0.000) 3.315 4.097 ( -3.536 -0.022 0.000) 3.536 4.134 ( -2.240 -0.031 0.000) 2.240 4.253 ( 0.832 0.694 0.000) 1.083 4.254 ( 0.894 0.677 0.000) 1.121 5.807 ( -2.593 -0.819 0.000) 2.719 6.043 ( -1.151 0.128 0.000) 1.158 6.578 ( 1.475 0.961 0.000) 1.761 6.649 ( -1.696 0.084 0.000) 1.698 6.892 ( -4.611 -1.475 0.000) 4.841 6.919 ( -4.373 -1.787 0.000) 4.724 7.135 ( -0.937 -0.267 0.000) 0.974 7.221 ( -0.393 0.241 0.000) 0.461 7.440 ( -2.686 1.079 0.000) 2.894 7.457 ( -1.091 1.106 0.000) 1.554 7.563 ( -2.225 -0.334 0.000) 2.250 7.651 ( -3.359 -0.831 0.000) 3.460 7.736 ( 0.317 0.249 0.000) 0.403 7.762 ( 0.128 -0.387 0.000) 0.408 7.987 ( 1.129 -0.799 0.000) 1.383 8.028 ( 0.653 -0.203 0.000) 0.684 8.050 ( -0.426 1.848 0.000) 1.897 8.114 ( -0.026 -1.317 0.000) 1.318 8.126 ( -1.817 0.544 0.000) 1.896 8.215 ( -0.041 -1.602 0.000) 1.603 8.348 ( -0.190 -1.242 0.000) 1.256 8.389 ( 1.073 -0.748 0.000) 1.308 9.377 ( -1.431 -0.030 0.000) 1.432 9.381 ( -1.845 -0.003 0.000) 1.845 9.469 ( -0.883 -0.006 0.000) 0.883 9.470 ( -1.031 -0.023 0.000) 1.032 9.706 ( -2.232 0.246 0.000) 2.245 9.744 ( -0.788 0.252 0.000) 0.828 10.077 ( -0.392 0.043 0.000) 0.394 10.092 ( 0.319 0.289 0.000) 0.430 ======================= Grid point 32 (24/98) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -2.096 -0.487 0.000) 2.152 1.644 ( -2.386 0.374 0.000) 2.416 1.920 ( -8.442 -4.487 0.000) 9.561 1.945 ( -0.579 -3.508 0.000) 3.555 1.970 ( -6.651 1.263 0.000) 6.770 2.047 ( -2.542 -2.538 0.000) 3.592 2.070 ( -4.058 -2.204 0.000) 4.618 2.215 ( -3.856 0.200 0.000) 3.861 2.234 ( -4.862 -2.503 0.000) 5.469 2.269 ( -1.169 1.015 0.000) 1.548 2.370 ( 1.580 -1.243 0.000) 2.011 2.398 ( -1.284 -3.168 0.000) 3.418 2.460 ( 3.749 1.154 0.000) 3.922 2.513 ( -0.287 0.288 0.000) 0.407 2.676 ( -3.526 1.064 0.000) 3.683 2.678 ( 0.291 0.624 0.000) 0.689 2.711 ( 0.059 0.016 0.000) 0.061 2.751 ( -1.590 -1.327 0.000) 2.071 2.854 ( 0.370 2.549 0.000) 2.576 2.867 ( 0.558 -3.834 0.000) 3.875 2.908 ( -0.070 2.108 0.000) 2.109 2.985 ( 3.297 1.449 0.000) 3.601 3.347 ( 0.806 -0.521 0.000) 0.960 3.348 ( -3.006 -0.068 0.000) 3.007 3.396 ( 2.291 0.165 0.000) 2.297 3.447 ( -2.970 -3.288 0.000) 4.431 3.476 ( 1.782 -2.134 0.000) 2.780 3.556 ( -1.342 0.297 0.000) 1.374 3.786 ( -2.721 1.694 0.000) 3.206 3.805 ( -2.611 0.699 0.000) 2.703 3.888 ( -9.977 -1.228 0.000) 10.052 3.966 ( -9.033 0.833 0.000) 9.071 3.981 ( -7.756 0.362 0.000) 7.764 4.044 ( -5.520 1.616 0.000) 5.752 4.239 ( -1.268 1.325 0.000) 1.834 4.242 ( -1.031 1.138 0.000) 1.536 5.769 ( -1.942 -2.069 0.000) 2.838 5.988 ( -4.027 0.637 0.000) 4.077 6.555 ( -2.668 1.899 0.000) 3.275 6.571 ( -5.513 -0.228 0.000) 5.518 6.835 ( -3.262 -4.232 0.000) 5.343 6.877 ( -1.876 -4.030 0.000) 4.445 7.094 ( -3.078 -0.274 0.000) 3.091 7.180 ( -3.346 0.896 0.000) 3.464 7.340 ( -5.756 1.287 0.000) 5.898 7.398 ( -3.345 1.546 0.000) 3.685 7.493 ( -4.440 -0.435 0.000) 4.462 7.572 ( -5.222 -1.595 0.000) 5.460 7.735 ( -0.126 0.967 0.000) 0.975 7.773 ( 0.510 -0.445 0.000) 0.677 8.013 ( 0.763 0.424 0.000) 0.873 8.049 ( 1.016 0.438 0.000) 1.107 8.053 ( 1.172 -0.013 0.000) 1.173 8.115 ( 0.349 -1.132 0.000) 1.184 8.146 ( 2.520 -2.409 0.000) 3.486 8.255 ( 3.049 -3.395 0.000) 4.563 8.389 ( 2.481 -3.170 0.000) 4.025 8.449 ( 3.744 -2.223 0.000) 4.354 9.310 ( -5.321 0.024 0.000) 5.321 9.323 ( -4.069 0.082 0.000) 4.070 9.431 ( -2.947 -0.082 0.000) 2.949 9.435 ( -2.588 -0.101 0.000) 2.590 9.619 ( -5.991 0.633 0.000) 6.025 9.685 ( -4.697 0.972 0.000) 4.796 10.067 ( -0.255 0.111 0.000) 0.278 10.084 ( -0.672 0.729 0.000) 0.991 ======================= Grid point 33 (25/98) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -2.930 -0.708 0.000) 3.015 1.575 ( -4.723 0.396 0.000) 4.740 1.725 ( -12.225 -1.685 0.000) 12.340 1.793 ( -9.011 4.645 0.000) 10.138 1.965 ( -2.099 -4.476 0.000) 4.944 1.989 ( -5.468 -0.778 0.000) 5.523 2.059 ( 1.756 -5.394 0.000) 5.672 2.093 ( -8.638 -1.148 0.000) 8.714 2.142 ( -3.403 -1.393 0.000) 3.677 2.238 ( -2.925 -1.647 0.000) 3.357 2.397 ( 0.084 -2.406 0.000) 2.408 2.406 ( -0.965 -3.480 0.000) 3.611 2.494 ( -0.772 1.215 0.000) 1.439 2.526 ( 3.329 1.104 0.000) 3.507 2.582 ( -5.627 0.325 0.000) 5.637 2.694 ( 1.142 -0.719 0.000) 1.350 2.709 ( -3.589 -1.761 0.000) 3.997 2.713 ( 0.167 0.186 0.000) 0.250 2.827 ( -1.652 3.160 0.000) 3.566 2.872 ( -2.301 2.089 0.000) 3.108 2.905 ( 0.509 -4.639 0.000) 4.666 3.031 ( 1.727 2.399 0.000) 2.955 3.257 ( -6.468 -1.226 0.000) 6.583 3.346 ( -2.379 -1.567 0.000) 2.848 3.374 ( -5.773 -1.236 0.000) 5.904 3.440 ( -3.112 2.750 0.000) 4.153 3.477 ( -2.980 -0.448 0.000) 3.014 3.506 ( -1.619 -2.209 0.000) 2.738 3.665 ( -12.441 -0.111 0.000) 12.441 3.686 ( -6.463 1.726 0.000) 6.689 3.697 ( -8.019 1.608 0.000) 8.178 3.776 ( -6.875 1.108 0.000) 6.964 3.807 ( -7.724 0.622 0.000) 7.749 3.947 ( -2.438 1.666 0.000) 2.953 4.203 ( -1.263 1.128 0.000) 1.693 4.224 ( 0.053 0.254 0.000) 0.259 5.754 ( -0.866 -2.114 0.000) 2.285 5.892 ( -4.627 0.613 0.000) 4.667 6.458 ( -5.904 -1.356 0.000) 6.058 6.481 ( -3.394 0.398 0.000) 3.418 6.789 ( -4.102 -4.428 0.000) 6.036 6.861 ( -2.478 -3.481 0.000) 4.273 7.028 ( -3.798 -0.234 0.000) 3.805 7.082 ( -6.028 0.933 0.000) 6.100 7.230 ( -3.905 0.812 0.000) 3.989 7.326 ( -2.668 2.381 0.000) 3.576 7.412 ( -3.733 -0.465 0.000) 3.762 7.469 ( -5.626 -0.880 0.000) 5.695 7.720 ( -0.582 1.996 0.000) 2.079 7.783 ( 0.318 0.057 0.000) 0.323 8.021 ( 0.816 1.082 0.000) 1.355 8.073 ( 0.853 -0.447 0.000) 0.963 8.073 ( 1.211 -0.040 0.000) 1.211 8.146 ( 1.993 -1.083 0.000) 2.268 8.231 ( 3.957 -3.710 0.000) 5.424 8.365 ( 5.048 -5.643 0.000) 7.571 8.465 ( 2.606 -4.869 0.000) 5.523 8.548 ( 4.135 -4.159 0.000) 5.865 9.170 ( -8.615 0.316 0.000) 8.620 9.215 ( -6.439 0.979 0.000) 6.513 9.349 ( -5.575 -0.103 0.000) 5.576 9.365 ( -4.649 -0.241 0.000) 4.655 9.474 ( -7.450 1.464 0.000) 7.592 9.562 ( -6.498 1.386 0.000) 6.645 10.063 ( -0.306 0.801 0.000) 0.858 10.082 ( 1.475 -0.323 0.000) 1.510 ======================= Grid point 34 (26/98) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -5.044 0.582 0.000) 5.078 1.420 ( -9.782 2.184 0.000) 10.023 1.460 ( -13.650 4.304 0.000) 14.312 1.607 ( -5.440 5.940 0.000) 8.054 1.863 ( -5.925 3.459 0.000) 6.860 1.865 ( -10.183 -3.828 0.000) 10.878 1.952 ( -4.497 3.361 0.000) 5.614 2.103 ( -2.047 -3.555 0.000) 4.102 2.132 ( 0.340 -4.212 0.000) 4.225 2.192 ( -3.265 -5.965 0.000) 6.800 2.347 ( -5.220 -2.437 0.000) 5.761 2.397 ( -3.818 -4.363 0.000) 5.797 2.434 ( -7.845 -0.343 0.000) 7.853 2.510 ( 1.692 -0.462 0.000) 1.754 2.575 ( 2.029 1.716 0.000) 2.658 2.589 ( -10.470 -0.976 0.000) 10.515 2.712 ( -0.271 0.734 0.000) 0.782 2.731 ( -0.955 1.529 0.000) 1.803 2.740 ( -2.535 2.178 0.000) 3.342 2.816 ( -2.139 -0.119 0.000) 2.143 2.926 ( -1.126 -4.141 0.000) 4.291 2.985 ( -5.621 2.764 0.000) 6.264 3.032 ( -15.075 4.019 0.000) 15.602 3.216 ( -9.168 -1.481 0.000) 9.287 3.236 ( -9.580 -3.737 0.000) 10.283 3.294 ( -5.995 4.776 0.000) 7.664 3.394 ( -8.272 5.245 0.000) 9.794 3.438 ( -6.794 1.358 0.000) 6.928 3.469 ( -4.034 1.982 0.000) 4.495 3.479 ( -11.243 2.948 0.000) 11.623 3.533 ( -5.533 1.250 0.000) 5.672 3.712 ( -2.944 -2.641 0.000) 3.955 3.737 ( 0.335 -3.279 0.000) 3.296 3.919 ( -0.917 -1.247 0.000) 1.548 4.193 ( 0.817 0.108 0.000) 0.824 4.250 ( 2.456 -0.561 0.000) 2.519 5.746 ( -0.966 -0.189 0.000) 0.984 5.823 ( -1.921 -0.781 0.000) 2.074 6.364 ( -4.295 -1.752 0.000) 4.639 6.436 ( -1.378 -2.284 0.000) 2.668 6.718 ( -5.010 -2.421 0.000) 5.565 6.804 ( -5.040 -1.684 0.000) 5.313 6.926 ( -7.068 -0.570 0.000) 7.091 6.929 ( -9.049 0.568 0.000) 9.067 7.208 ( 2.114 0.380 0.000) 2.148 7.259 ( -2.277 4.815 0.000) 5.327 7.356 ( -2.085 -0.601 0.000) 2.170 7.373 ( -3.727 0.692 0.000) 3.791 7.693 ( -0.559 3.229 0.000) 3.277 7.783 ( 0.218 1.518 0.000) 1.533 8.034 ( 1.093 1.107 0.000) 1.556 8.094 ( 1.052 0.458 0.000) 1.147 8.096 ( 1.268 -0.396 0.000) 1.329 8.203 ( 2.993 -1.413 0.000) 3.310 8.331 ( 3.499 -4.615 0.000) 5.792 8.503 ( 4.743 -7.122 0.000) 8.557 8.536 ( 1.193 -5.708 0.000) 5.831 8.649 ( 2.889 -5.809 0.000) 6.488 8.974 ( -10.310 1.114 0.000) 10.370 9.068 ( -6.844 2.610 0.000) 7.325 9.200 ( -8.800 1.227 0.000) 8.885 9.254 ( -6.219 0.144 0.000) 6.221 9.336 ( -5.614 0.961 0.000) 5.696 9.431 ( -5.643 1.283 0.000) 5.787 10.064 ( 0.932 0.564 0.000) 1.089 10.141 ( 3.835 -1.747 0.000) 4.214 ======================= Grid point 35 (27/98) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -15.045 8.801 0.000) 17.430 1.144 ( -13.243 12.200 0.000) 18.006 1.322 ( -2.953 2.082 0.000) 3.613 1.498 ( -2.826 5.651 0.000) 6.318 1.679 ( -9.854 -3.814 0.000) 10.566 1.732 ( -5.173 4.180 0.000) 6.651 1.821 ( -6.366 6.198 0.000) 8.885 2.016 ( -15.863 2.121 0.000) 16.004 2.088 ( -2.860 -1.913 0.000) 3.441 2.147 ( -5.450 1.724 0.000) 5.716 2.161 ( -13.699 -1.310 0.000) 13.761 2.258 ( -5.656 2.513 0.000) 6.189 2.350 ( -5.739 -4.336 0.000) 7.193 2.394 ( -2.817 -1.677 0.000) 3.278 2.533 ( -1.257 -0.756 0.000) 1.467 2.579 ( -1.248 1.603 0.000) 2.031 2.603 ( -3.502 5.485 0.000) 6.507 2.676 ( -2.495 1.275 0.000) 2.802 2.700 ( -9.290 1.147 0.000) 9.360 2.787 ( 0.685 0.344 0.000) 0.767 2.814 ( -2.874 -0.974 0.000) 3.034 2.839 ( -5.263 -0.155 0.000) 5.266 2.911 ( -2.447 -3.585 0.000) 4.340 3.019 ( -9.544 1.929 0.000) 9.737 3.060 ( -8.097 -0.626 0.000) 8.121 3.145 ( -8.307 1.529 0.000) 8.447 3.202 ( -13.215 -0.187 0.000) 13.216 3.240 ( -5.271 4.535 0.000) 6.954 3.273 ( -7.508 1.120 0.000) 7.591 3.395 ( -1.514 6.554 0.000) 6.727 3.445 ( -3.927 1.895 0.000) 4.360 3.702 ( -0.035 -2.286 0.000) 2.287 3.774 ( 0.483 -5.636 0.000) 5.657 3.920 ( -0.360 -4.503 0.000) 4.517 4.232 ( 2.600 -1.061 0.000) 2.809 4.312 ( 3.030 -0.692 0.000) 3.108 5.713 ( -1.597 2.483 0.000) 2.953 5.834 ( 1.739 -3.562 0.000) 3.964 6.312 ( -1.868 -1.425 0.000) 2.349 6.450 ( 0.439 -4.414 0.000) 4.436 6.620 ( -5.287 0.370 0.000) 5.300 6.673 ( -8.678 0.397 0.000) 8.687 6.724 ( -10.435 0.672 0.000) 10.457 6.758 ( -10.667 -2.886 0.000) 11.051 7.190 ( -0.694 8.175 0.000) 8.205 7.274 ( 3.195 2.127 0.000) 3.838 7.314 ( -1.663 1.766 0.000) 2.426 7.356 ( 3.119 -1.154 0.000) 3.325 7.665 ( 0.025 4.220 0.000) 4.220 7.781 ( 1.485 4.051 0.000) 4.314 8.054 ( 1.667 1.308 0.000) 2.119 8.110 ( 0.947 0.846 0.000) 1.270 8.127 ( 1.617 -0.260 0.000) 1.638 8.275 ( 3.206 -1.803 0.000) 3.678 8.409 ( 1.110 -4.890 0.000) 5.014 8.555 ( -2.637 -4.256 0.000) 5.007 8.599 ( -0.477 -7.281 0.000) 7.296 8.726 ( 1.812 -6.169 0.000) 6.430 8.771 ( -8.522 1.715 0.000) 8.693 8.943 ( -3.277 3.438 0.000) 4.749 9.031 ( -6.251 1.934 0.000) 6.543 9.138 ( -4.746 0.690 0.000) 4.796 9.228 ( -5.348 -0.334 0.000) 5.358 9.324 ( -4.602 1.011 0.000) 4.712 10.090 ( 1.741 0.193 0.000) 1.752 10.248 ( 5.227 -3.786 0.000) 6.454 ======================= Grid point 36 (28/98) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -12.800 14.779 0.000) 19.551 0.808 ( -11.260 19.236 0.000) 22.289 1.242 ( -1.927 8.023 0.000) 8.251 1.402 ( -5.254 8.107 0.000) 9.661 1.436 ( -21.199 20.173 0.000) 29.264 1.571 ( -6.296 1.008 0.000) 6.376 1.595 ( -6.248 -1.016 0.000) 6.330 1.693 ( -5.542 7.801 0.000) 9.569 1.891 ( -4.987 7.224 0.000) 8.778 2.011 ( -5.520 -0.376 0.000) 5.532 2.117 ( -0.249 -3.971 0.000) 3.978 2.219 ( -1.322 0.074 0.000) 1.324 2.275 ( -8.079 1.311 0.000) 8.184 2.292 ( -1.867 0.939 0.000) 2.090 2.392 ( -9.553 4.605 0.000) 10.605 2.546 ( -0.615 -2.331 0.000) 2.411 2.573 ( 2.223 -2.184 0.000) 3.117 2.627 ( 1.414 2.223 0.000) 2.635 2.660 ( 1.040 0.369 0.000) 1.103 2.744 ( -5.005 -0.499 0.000) 5.030 2.772 ( -3.310 -0.760 0.000) 3.397 2.788 ( -2.371 0.821 0.000) 2.509 2.827 ( -8.241 3.272 0.000) 8.867 2.878 ( -1.983 -2.315 0.000) 3.048 2.961 ( -2.073 -0.238 0.000) 2.086 2.970 ( -6.955 -1.798 0.000) 7.183 3.021 ( -5.846 -3.654 0.000) 6.894 3.103 ( -5.591 4.526 0.000) 7.193 3.159 ( -3.816 -1.224 0.000) 4.008 3.340 ( 0.063 8.163 0.000) 8.163 3.375 ( -1.657 1.199 0.000) 2.046 3.714 ( 0.314 -0.010 0.000) 0.314 3.814 ( 0.203 -5.807 0.000) 5.811 3.961 ( 1.511 -6.151 0.000) 6.334 4.293 ( 2.317 -1.703 0.000) 2.875 4.366 ( 1.917 -0.548 0.000) 1.994 5.666 ( -1.113 3.813 0.000) 3.972 5.916 ( 2.922 -6.668 0.000) 7.280 6.300 ( -0.130 -0.721 0.000) 0.733 6.433 ( -6.980 2.523 0.000) 7.422 6.509 ( -4.184 -1.263 0.000) 4.371 6.512 ( -4.417 2.525 0.000) 5.088 6.530 ( -14.508 -4.078 0.000) 15.070 6.562 ( -4.277 -2.273 0.000) 4.844 7.136 ( 0.433 10.980 0.000) 10.988 7.286 ( -0.319 1.089 0.000) 1.134 7.290 ( 0.481 1.461 0.000) 1.539 7.480 ( 5.981 -0.483 0.000) 6.000 7.659 ( 2.327 4.191 0.000) 4.793 7.832 ( 9.084 7.685 0.000) 11.898 8.084 ( 2.164 2.740 0.000) 3.492 8.126 ( 1.102 -0.111 0.000) 1.107 8.159 ( 1.450 -0.122 0.000) 1.455 8.341 ( 1.914 -2.383 0.000) 3.057 8.404 ( -4.205 -3.131 0.000) 5.243 8.483 ( -4.395 -0.521 0.000) 4.426 8.553 ( -6.923 -4.828 0.000) 8.441 8.662 ( -1.753 -0.040 0.000) 1.753 8.769 ( -2.092 -4.864 0.000) 5.295 8.901 ( 0.021 2.286 0.000) 2.286 8.958 ( -0.068 -0.221 0.000) 0.231 9.068 ( -2.344 0.104 0.000) 2.346 9.119 ( -6.627 -1.982 0.000) 6.917 9.241 ( -2.775 1.522 0.000) 3.164 10.122 ( 1.308 0.039 0.000) 1.308 10.374 ( 4.230 -5.683 0.000) 7.084 ======================= Grid point 37 (29/98) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 20.491 0.000) 20.491 0.546 ( 0.000 22.642 0.000) 22.642 0.975 ( 0.000 41.228 0.000) 41.228 1.193 ( 0.000 6.416 0.000) 6.416 1.215 ( 0.000 16.301 0.000) 16.301 1.540 ( -0.000 -5.833 0.000) 5.833 1.564 ( -0.000 -4.333 0.000) 4.333 1.600 ( 0.000 5.389 0.000) 5.389 1.822 ( 0.000 7.365 0.000) 7.365 1.953 ( 0.000 0.013 0.000) 0.013 2.136 ( -0.000 -3.529 0.000) 3.529 2.168 ( 0.000 1.229 0.000) 1.229 2.188 ( 0.000 9.118 0.000) 9.118 2.235 ( -0.000 -1.576 0.000) 1.576 2.288 ( 0.000 4.269 0.000) 4.269 2.561 ( -0.000 -2.779 0.000) 2.779 2.635 ( -0.000 -0.867 0.000) 0.867 2.646 ( -0.000 -1.598 0.000) 1.598 2.672 ( 0.000 3.945 0.000) 3.945 2.690 ( -0.000 -1.556 0.000) 1.556 2.690 ( -0.000 -0.668 0.000) 0.668 2.718 ( 0.000 0.088 0.000) 0.088 2.739 ( 0.000 1.041 0.000) 1.041 2.872 ( -0.000 -1.064 0.000) 1.064 2.929 ( -0.000 -0.905 0.000) 0.905 2.949 ( -0.000 -0.460 0.000) 0.460 2.955 ( -0.000 -1.065 0.000) 1.065 3.011 ( 0.000 3.451 0.000) 3.451 3.148 ( -0.000 -3.371 0.000) 3.371 3.297 ( 0.000 7.993 0.000) 7.993 3.366 ( -0.000 -0.922 0.000) 0.922 3.713 ( 0.000 1.238 0.000) 1.238 3.846 ( -0.000 -4.898 0.000) 4.898 4.033 ( -0.000 -7.203 0.000) 7.203 4.328 ( -0.000 -1.673 0.000) 1.673 4.390 ( -0.000 -0.428 0.000) 0.428 5.633 ( 0.000 3.607 0.000) 3.607 5.994 ( -0.000 -7.965 0.000) 7.965 6.303 ( 0.000 4.054 0.000) 4.054 6.304 ( 0.000 0.003 0.000) 0.003 6.316 ( 0.000 3.883 0.000) 3.883 6.444 ( 0.000 2.819 0.000) 2.819 6.447 ( 0.000 2.908 0.000) 2.908 6.575 ( -0.000 -6.880 0.000) 6.880 7.076 ( 0.000 11.832 0.000) 11.832 7.282 ( 0.000 0.219 0.000) 0.219 7.286 ( 0.000 1.437 0.000) 1.437 7.532 ( -0.000 -0.974 0.000) 0.974 7.678 ( 0.000 2.816 0.000) 2.816 8.083 ( -0.000 -2.430 0.000) 2.430 8.088 ( 0.000 3.591 0.000) 3.591 8.151 ( -0.000 -0.774 0.000) 0.774 8.190 ( 0.000 0.517 0.000) 0.517 8.331 ( -0.000 -1.870 0.000) 1.870 8.347 ( -0.000 -1.790 0.000) 1.790 8.416 ( 0.000 0.409 0.000) 0.409 8.438 ( 0.000 0.628 0.000) 0.628 8.657 ( -0.000 -1.086 0.000) 1.086 8.727 ( -0.000 -0.586 0.000) 0.586 8.894 ( 0.000 1.711 0.000) 1.711 9.004 ( 0.000 0.006 0.000) 0.006 9.012 ( -0.000 -3.454 0.000) 3.454 9.038 ( 0.000 0.089 0.000) 0.089 9.203 ( 0.000 2.494 0.000) 2.494 10.135 ( 0.000 0.027 0.000) 0.027 10.455 ( -0.000 -6.043 0.000) 6.043 ======================= Grid point 42 (30/98) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.105 -0.000 0.000) 0.105 1.666 ( 1.366 -0.000 0.000) 1.366 2.066 ( -4.807 0.000 0.000) 4.807 2.093 ( 5.379 -0.000 0.000) 5.379 2.142 ( -4.671 0.000 0.000) 4.671 2.146 ( -3.684 0.000 0.000) 3.684 2.194 ( 1.947 -0.000 0.000) 1.947 2.256 ( -6.940 0.000 0.000) 6.940 2.282 ( 4.433 -0.000 0.000) 4.433 2.297 ( 4.512 -0.000 0.000) 4.512 2.351 ( -3.364 0.000 0.000) 3.364 2.352 ( -1.286 0.000 0.000) 1.286 2.447 ( -3.482 0.000 0.000) 3.482 2.533 ( -1.032 0.000 0.000) 1.032 2.668 ( 1.929 -0.000 0.000) 1.929 2.678 ( 0.956 -0.000 0.000) 0.956 2.738 ( 1.217 -0.000 0.000) 1.217 2.768 ( 1.620 -0.000 0.000) 1.620 2.817 ( 0.335 -0.000 0.000) 0.335 2.857 ( 3.349 -0.000 0.000) 3.349 2.890 ( -2.575 0.000 0.000) 2.575 2.954 ( -1.759 0.000 0.000) 1.759 3.304 ( -0.909 0.000 0.000) 0.909 3.342 ( -1.311 0.000 0.000) 1.311 3.470 ( 4.957 -0.000 0.000) 4.957 3.476 ( -3.156 0.000 0.000) 3.156 3.509 ( -5.860 0.000 0.000) 5.860 3.559 ( -0.997 0.000 0.000) 0.997 3.785 ( 2.831 -0.000 0.000) 2.831 3.815 ( 1.418 -0.000 0.000) 1.418 4.066 ( 2.176 -0.000 0.000) 2.176 4.097 ( 3.449 -0.000 0.000) 3.449 4.107 ( 3.774 -0.000 0.000) 3.774 4.109 ( 4.239 -0.000 0.000) 4.239 4.208 ( 2.318 -0.000 0.000) 2.318 4.208 ( 3.176 -0.000 0.000) 3.176 5.856 ( -2.126 0.000 0.000) 2.126 6.031 ( 2.268 -0.000 0.000) 2.268 6.518 ( 3.894 -0.000 0.000) 3.894 6.640 ( 2.023 -0.000 0.000) 2.023 7.000 ( -5.454 0.000 0.000) 5.454 7.023 ( -5.732 0.000 0.000) 5.732 7.118 ( 2.287 -0.000 0.000) 2.287 7.197 ( 2.565 -0.000 0.000) 2.565 7.431 ( 4.645 -0.000 0.000) 4.645 7.433 ( 4.294 -0.000 0.000) 4.294 7.559 ( 2.364 -0.000 0.000) 2.364 7.686 ( -0.002 0.000 0.000) 0.002 7.726 ( 0.872 -0.000 0.000) 0.872 7.766 ( -0.728 0.000 0.000) 0.728 7.975 ( -0.504 0.000 0.000) 0.504 8.049 ( -2.641 0.000 0.000) 2.641 8.086 ( 0.712 -0.000 0.000) 0.712 8.122 ( -3.994 0.000 0.000) 3.994 8.190 ( 1.188 -0.000 0.000) 1.188 8.225 ( -6.068 0.000 0.000) 6.068 8.398 ( -5.011 0.000 0.000) 5.011 8.420 ( -4.778 0.000 0.000) 4.778 9.376 ( 1.541 -0.000 0.000) 1.541 9.387 ( 1.407 -0.000 0.000) 1.407 9.470 ( 0.750 -0.000 0.000) 0.750 9.475 ( 0.469 -0.000 0.000) 0.469 9.703 ( 2.786 -0.000 0.000) 2.786 9.715 ( 3.516 -0.000 0.000) 3.516 10.073 ( 0.856 -0.000 0.000) 0.856 10.076 ( 1.157 -0.000 0.000) 1.157 ======================= Grid point 43 (31/98) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -1.124 -0.054 0.000) 1.126 1.676 ( -0.416 0.066 0.000) 0.421 1.972 ( -4.040 1.050 0.000) 4.174 2.030 ( -6.907 -0.816 0.000) 6.955 2.067 ( -4.060 -0.212 0.000) 4.066 2.109 ( -6.627 -0.828 0.000) 6.679 2.126 ( -2.017 -0.081 0.000) 2.019 2.221 ( 0.793 -0.739 0.000) 1.084 2.286 ( -3.203 -0.030 0.000) 3.203 2.323 ( -0.489 0.271 0.000) 0.559 2.330 ( 1.015 -0.055 0.000) 1.017 2.395 ( 3.876 0.155 0.000) 3.880 2.399 ( -2.165 -1.065 0.000) 2.413 2.515 ( -0.540 -0.248 0.000) 0.595 2.686 ( 0.229 0.313 0.000) 0.387 2.697 ( 0.878 -0.062 0.000) 0.880 2.743 ( -0.922 0.323 0.000) 0.977 2.763 ( -1.143 -0.212 0.000) 1.163 2.841 ( -2.135 -0.709 0.000) 2.250 2.856 ( 2.372 0.616 0.000) 2.450 2.913 ( 2.040 0.642 0.000) 2.139 2.948 ( 1.414 0.394 0.000) 1.468 3.321 ( 2.574 -0.119 0.000) 2.577 3.330 ( 0.110 -0.078 0.000) 0.135 3.411 ( -3.781 -0.760 0.000) 3.857 3.441 ( -0.405 -0.248 0.000) 0.475 3.502 ( -4.110 0.132 0.000) 4.112 3.549 ( 2.407 0.076 0.000) 2.409 3.825 ( 0.996 0.334 0.000) 1.051 3.830 ( -0.061 0.166 0.000) 0.177 4.028 ( -5.157 -0.184 0.000) 5.160 4.093 ( -3.528 0.021 0.000) 3.528 4.097 ( -3.371 -0.008 0.000) 3.371 4.133 ( -1.735 -0.041 0.000) 1.736 4.258 ( 1.138 0.249 0.000) 1.165 4.260 ( 1.289 0.238 0.000) 1.310 5.801 ( -3.087 -0.299 0.000) 3.101 6.044 ( -0.981 0.039 0.000) 0.981 6.586 ( 2.171 0.343 0.000) 2.198 6.649 ( -1.538 0.019 0.000) 1.538 6.881 ( -5.848 -0.503 0.000) 5.869 6.905 ( -5.497 -0.643 0.000) 5.534 7.133 ( -0.887 -0.152 0.000) 0.900 7.223 ( -0.110 0.067 0.000) 0.129 7.451 ( -2.460 0.581 0.000) 2.528 7.467 ( -0.940 0.482 0.000) 1.056 7.559 ( -2.389 -0.263 0.000) 2.403 7.644 ( -3.801 -0.348 0.000) 3.817 7.738 ( 0.504 0.094 0.000) 0.513 7.759 ( 0.060 -0.174 0.000) 0.184 7.981 ( 1.216 -0.296 0.000) 1.251 8.027 ( 0.730 -0.057 0.000) 0.733 8.072 ( -0.529 1.693 0.000) 1.774 8.098 ( -0.330 -1.461 0.000) 1.498 8.134 ( -2.839 0.614 0.000) 2.905 8.199 ( -0.229 -0.983 0.000) 1.009 8.337 ( -0.867 -0.496 0.000) 0.998 8.383 ( 0.725 -0.280 0.000) 0.777 9.377 ( -1.410 -0.015 0.000) 1.410 9.381 ( -1.902 0.008 0.000) 1.902 9.469 ( -1.108 -0.022 0.000) 1.108 9.470 ( -0.844 0.016 0.000) 0.844 9.708 ( -2.166 0.102 0.000) 2.169 9.746 ( -0.528 0.078 0.000) 0.534 10.077 ( -0.325 0.016 0.000) 0.325 10.094 ( 0.472 0.104 0.000) 0.484 ======================= Grid point 44 (32/98) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -2.191 -0.265 0.000) 2.207 1.648 ( -2.399 0.201 0.000) 2.407 1.878 ( -8.161 -2.722 0.000) 8.603 1.915 ( -2.428 -1.770 0.000) 3.005 1.983 ( -4.828 0.978 0.000) 4.926 2.025 ( -2.831 -1.367 0.000) 3.143 2.049 ( -4.986 -1.468 0.000) 5.198 2.208 ( -4.604 -1.716 0.000) 4.913 2.218 ( -3.860 0.180 0.000) 3.864 2.284 ( -1.166 1.344 0.000) 1.779 2.358 ( 1.005 -0.793 0.000) 1.280 2.367 ( -1.742 -2.225 0.000) 2.825 2.470 ( 3.822 0.601 0.000) 3.869 2.517 ( 0.379 0.284 0.000) 0.474 2.682 ( -0.320 0.105 0.000) 0.337 2.690 ( -3.413 1.317 0.000) 3.658 2.710 ( -0.016 -0.165 0.000) 0.165 2.740 ( -1.602 -0.682 0.000) 1.742 2.828 ( -0.070 -2.725 0.000) 2.726 2.880 ( 0.708 1.817 0.000) 1.950 2.924 ( -0.426 0.883 0.000) 0.981 2.999 ( 3.619 0.938 0.000) 3.738 3.342 ( 0.643 -0.310 0.000) 0.714 3.350 ( -2.878 0.489 0.000) 2.919 3.387 ( -0.032 -1.846 0.000) 1.846 3.422 ( -0.813 -0.817 0.000) 1.153 3.456 ( 1.216 -1.254 0.000) 1.747 3.561 ( -1.323 0.468 0.000) 1.404 3.799 ( -2.859 0.650 0.000) 2.932 3.813 ( -2.478 0.596 0.000) 2.549 3.877 ( -9.949 -0.629 0.000) 9.968 3.973 ( -8.592 0.385 0.000) 8.600 3.985 ( -7.220 0.241 0.000) 7.224 4.058 ( -4.964 0.769 0.000) 5.023 4.251 ( -1.273 0.727 0.000) 1.466 4.252 ( -1.246 0.692 0.000) 1.426 5.751 ( -2.121 -1.121 0.000) 2.399 5.994 ( -3.871 0.368 0.000) 3.889 6.569 ( -6.041 -0.138 0.000) 6.042 6.571 ( -3.219 0.959 0.000) 3.359 6.797 ( -3.547 -2.317 0.000) 4.237 6.842 ( -1.627 -2.099 0.000) 2.656 7.090 ( -3.200 -0.347 0.000) 3.218 7.188 ( -3.255 0.472 0.000) 3.289 7.356 ( -5.649 1.286 0.000) 5.793 7.412 ( -3.304 0.948 0.000) 3.438 7.485 ( -4.656 -0.745 0.000) 4.715 7.556 ( -5.201 -1.071 0.000) 5.310 7.744 ( 0.221 0.569 0.000) 0.610 7.768 ( 0.615 -0.315 0.000) 0.691 8.015 ( 1.518 0.016 0.000) 1.518 8.058 ( 1.526 0.743 0.000) 1.697 8.062 ( 0.577 1.801 0.000) 1.891 8.105 ( 0.156 -0.631 0.000) 0.650 8.118 ( 1.780 -2.543 0.000) 3.104 8.220 ( 1.843 -2.616 0.000) 3.200 8.360 ( 1.837 -1.902 0.000) 2.644 8.430 ( 3.180 -1.175 0.000) 3.390 9.310 ( -5.291 0.019 0.000) 5.291 9.324 ( -3.871 0.048 0.000) 3.871 9.430 ( -2.901 -0.097 0.000) 2.903 9.435 ( -2.668 0.047 0.000) 2.669 9.625 ( -5.798 0.348 0.000) 5.809 9.693 ( -4.541 0.475 0.000) 4.566 10.068 ( -0.307 0.056 0.000) 0.312 10.090 ( -0.601 0.401 0.000) 0.723 ======================= Grid point 45 (33/98) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -2.880 -0.435 0.000) 2.913 1.578 ( -4.607 0.257 0.000) 4.614 1.718 ( -8.644 0.318 0.000) 8.650 1.846 ( -7.013 4.761 0.000) 8.476 1.911 ( -1.129 -4.952 0.000) 5.079 1.973 ( -3.887 -2.050 0.000) 4.395 2.007 ( -0.083 -3.537 0.000) 3.538 2.071 ( -8.779 -2.409 0.000) 9.103 2.132 ( -4.437 -0.358 0.000) 4.451 2.244 ( -2.796 2.253 0.000) 3.591 2.367 ( -0.546 -3.636 0.000) 3.677 2.371 ( -0.548 -2.054 0.000) 2.126 2.504 ( -1.620 0.700 0.000) 1.765 2.531 ( 1.492 -0.033 0.000) 1.492 2.594 ( -4.565 1.534 0.000) 4.816 2.679 ( -1.078 -1.420 0.000) 1.783 2.700 ( -1.824 -0.157 0.000) 1.831 2.713 ( 0.178 -0.185 0.000) 0.257 2.857 ( 0.664 -3.739 0.000) 3.798 2.861 ( -1.416 2.721 0.000) 3.067 2.892 ( -2.253 1.250 0.000) 2.576 3.057 ( 2.391 2.129 0.000) 3.202 3.238 ( -8.159 -2.037 0.000) 8.409 3.328 ( -3.816 -1.578 0.000) 4.129 3.354 ( -3.092 -1.809 0.000) 3.583 3.468 ( -0.494 2.002 0.000) 2.063 3.483 ( -3.653 1.054 0.000) 3.801 3.484 ( 0.034 -1.576 0.000) 1.577 3.666 ( -10.545 0.204 0.000) 10.547 3.700 ( -6.822 0.747 0.000) 6.863 3.711 ( -7.404 0.890 0.000) 7.457 3.786 ( -8.385 0.546 0.000) 8.403 3.817 ( -8.478 0.956 0.000) 8.531 3.962 ( -3.541 0.993 0.000) 3.677 4.214 ( -1.620 0.785 0.000) 1.800 4.226 ( -0.499 0.243 0.000) 0.555 5.734 ( -0.313 -1.417 0.000) 1.451 5.899 ( -4.936 0.487 0.000) 4.960 6.444 ( -6.368 -1.157 0.000) 6.472 6.482 ( -4.652 -0.150 0.000) 4.654 6.747 ( -3.321 -2.927 0.000) 4.427 6.832 ( -1.374 -1.816 0.000) 2.278 7.025 ( -3.574 -0.335 0.000) 3.589 7.091 ( -6.193 0.621 0.000) 6.224 7.241 ( -4.433 1.111 0.000) 4.571 7.348 ( -2.144 1.597 0.000) 2.673 7.403 ( -3.822 -0.917 0.000) 3.931 7.458 ( -5.023 -0.910 0.000) 5.105 7.740 ( 0.011 1.545 0.000) 1.545 7.783 ( 0.783 0.045 0.000) 0.784 8.034 ( 0.895 0.968 0.000) 1.318 8.072 ( 0.781 0.299 0.000) 0.836 8.079 ( 1.647 1.135 0.000) 2.000 8.137 ( 2.153 -0.353 0.000) 2.182 8.190 ( 3.393 -3.621 0.000) 4.962 8.304 ( 4.085 -5.149 0.000) 6.573 8.416 ( 2.081 -3.591 0.000) 4.150 8.510 ( 3.605 -2.571 0.000) 4.428 9.173 ( -8.371 0.216 0.000) 8.374 9.224 ( -5.877 0.633 0.000) 5.911 9.349 ( -5.423 0.042 0.000) 5.423 9.364 ( -4.595 -0.110 0.000) 4.596 9.488 ( -7.170 0.941 0.000) 7.232 9.573 ( -6.694 0.693 0.000) 6.730 10.070 ( 0.021 0.448 0.000) 0.449 10.079 ( 0.619 -0.139 0.000) 0.635 ======================= Grid point 46 (34/98) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -3.087 -0.093 0.000) 3.088 1.444 ( -8.745 1.949 0.000) 8.960 1.528 ( -8.182 7.751 0.000) 11.270 1.682 ( -5.194 7.141 0.000) 8.830 1.831 ( -9.423 -2.141 0.000) 9.663 1.900 ( -3.606 2.675 0.000) 4.489 1.963 ( -2.398 -2.207 0.000) 3.260 2.066 ( -2.834 -2.837 0.000) 4.010 2.076 ( 2.609 -6.267 0.000) 6.788 2.150 ( -5.743 0.024 0.000) 5.743 2.319 ( -6.313 -2.409 0.000) 6.756 2.348 ( -5.388 -4.250 0.000) 6.862 2.429 ( -6.922 -0.595 0.000) 6.947 2.490 ( 0.404 -2.985 0.000) 3.012 2.592 ( -6.936 1.528 0.000) 7.102 2.593 ( 1.927 1.482 0.000) 2.431 2.715 ( 0.794 -1.893 0.000) 2.053 2.717 ( -0.010 0.190 0.000) 0.190 2.795 ( -3.618 4.895 0.000) 6.087 2.819 ( -3.407 0.822 0.000) 3.505 2.882 ( -0.501 -3.514 0.000) 3.550 3.020 ( -6.251 3.266 0.000) 7.053 3.047 ( -12.451 -1.588 0.000) 12.552 3.192 ( -9.280 -4.027 0.000) 10.116 3.224 ( -9.101 2.799 0.000) 9.522 3.345 ( -4.386 4.298 0.000) 6.141 3.452 ( -5.525 4.673 0.000) 7.236 3.453 ( -6.881 1.234 0.000) 6.991 3.490 ( -2.672 1.958 0.000) 3.313 3.506 ( -11.931 1.842 0.000) 12.073 3.540 ( -6.272 -0.096 0.000) 6.273 3.684 ( -4.490 -2.140 0.000) 4.974 3.698 ( -1.927 -3.624 0.000) 4.104 3.906 ( -2.460 -0.970 0.000) 2.644 4.194 ( 0.128 0.098 0.000) 0.161 4.244 ( 2.185 -0.505 0.000) 2.242 5.744 ( 0.516 -0.108 0.000) 0.527 5.815 ( -2.990 -0.537 0.000) 3.037 6.344 ( -4.329 -1.715 0.000) 4.657 6.410 ( -2.937 -2.227 0.000) 3.686 6.692 ( -3.628 -1.915 0.000) 4.103 6.791 ( -3.724 -0.686 0.000) 3.787 6.925 ( -7.123 0.309 0.000) 7.130 6.935 ( -9.102 0.581 0.000) 9.121 7.208 ( 2.024 -0.130 0.000) 2.028 7.306 ( -1.011 3.554 0.000) 3.694 7.348 ( -2.155 -0.697 0.000) 2.265 7.379 ( -2.860 0.266 0.000) 2.872 7.729 ( 0.223 3.089 0.000) 3.097 7.798 ( 1.064 1.086 0.000) 1.520 8.045 ( 0.912 0.874 0.000) 1.264 8.093 ( 1.298 -0.166 0.000) 1.308 8.106 ( 1.802 1.685 0.000) 2.467 8.189 ( 2.799 -0.863 0.000) 2.929 8.281 ( 3.230 -4.369 0.000) 5.433 8.424 ( 4.223 -6.745 0.000) 7.958 8.475 ( 1.288 -4.842 0.000) 5.010 8.594 ( 2.869 -3.848 0.000) 4.800 8.985 ( -9.932 0.799 0.000) 9.964 9.093 ( -6.196 1.865 0.000) 6.470 9.211 ( -8.055 0.741 0.000) 8.089 9.256 ( -5.983 0.098 0.000) 5.984 9.348 ( -6.188 1.047 0.000) 6.276 9.441 ( -6.031 0.430 0.000) 6.046 10.070 ( 0.704 0.492 0.000) 0.858 10.122 ( 2.961 -1.443 0.000) 3.294 ======================= Grid point 47 (35/98) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -11.976 7.908 0.000) 14.351 1.303 ( -8.111 15.600 0.000) 17.583 1.335 ( -1.696 0.460 0.000) 1.757 1.574 ( -1.896 7.417 0.000) 7.655 1.648 ( -9.034 -1.416 0.000) 9.144 1.790 ( -5.598 6.030 0.000) 8.228 1.899 ( -5.481 7.147 0.000) 9.007 1.988 ( -8.384 -5.220 0.000) 9.876 2.051 ( -0.833 -4.189 0.000) 4.271 2.147 ( -12.545 -1.547 0.000) 12.640 2.159 ( -0.080 -0.853 0.000) 0.857 2.244 ( -1.854 -6.768 0.000) 7.017 2.358 ( -12.752 7.225 0.000) 14.656 2.376 ( -1.801 -1.386 0.000) 2.273 2.522 ( 0.015 -1.536 0.000) 1.536 2.599 ( -1.791 1.879 0.000) 2.596 2.660 ( -6.792 4.044 0.000) 7.905 2.685 ( -3.420 0.313 0.000) 3.435 2.702 ( -4.031 -0.336 0.000) 4.045 2.786 ( -0.366 -0.508 0.000) 0.626 2.830 ( -5.071 3.434 0.000) 6.125 2.833 ( -6.652 -1.163 0.000) 6.753 2.877 ( -2.056 -2.094 0.000) 2.935 3.037 ( -7.923 1.763 0.000) 8.117 3.054 ( -6.221 -0.345 0.000) 6.231 3.182 ( -11.517 4.298 0.000) 12.292 3.203 ( -14.124 0.456 0.000) 14.131 3.284 ( -7.262 1.299 0.000) 7.378 3.299 ( -5.465 5.900 0.000) 8.042 3.448 ( -5.317 -1.576 0.000) 5.545 3.463 ( 0.114 5.422 0.000) 5.423 3.669 ( 0.451 -3.645 0.000) 3.673 3.705 ( -0.602 -6.518 0.000) 6.546 3.874 ( -1.789 -3.559 0.000) 3.983 4.220 ( 1.957 -1.134 0.000) 2.262 4.304 ( 3.055 -0.722 0.000) 3.139 5.743 ( -0.090 2.711 0.000) 2.713 5.797 ( 0.132 -2.954 0.000) 2.957 6.294 ( -1.711 -1.666 0.000) 2.388 6.397 ( -0.463 -4.776 0.000) 4.798 6.623 ( -3.885 0.189 0.000) 3.890 6.683 ( -7.337 1.277 0.000) 7.448 6.734 ( -9.927 0.922 0.000) 9.969 6.744 ( -10.700 -0.069 0.000) 10.701 7.268 ( 0.036 5.418 0.000) 5.418 7.291 ( 3.443 1.114 0.000) 3.619 7.340 ( -0.650 2.865 0.000) 2.938 7.341 ( 3.203 -1.367 0.000) 3.483 7.715 ( 0.524 4.497 0.000) 4.528 7.819 ( 2.438 2.659 0.000) 3.607 8.064 ( 1.545 0.577 0.000) 1.649 8.124 ( 1.649 -0.277 0.000) 1.672 8.128 ( 1.500 2.296 0.000) 2.742 8.255 ( 2.864 -1.768 0.000) 3.365 8.356 ( 1.427 -4.530 0.000) 4.749 8.507 ( -1.043 -4.111 0.000) 4.241 8.518 ( 0.409 -6.951 0.000) 6.963 8.667 ( 2.399 -4.229 0.000) 4.862 8.788 ( -8.686 1.318 0.000) 8.786 8.978 ( -3.589 2.713 0.000) 4.499 9.050 ( -6.666 1.440 0.000) 6.819 9.143 ( -4.805 0.339 0.000) 4.817 9.226 ( -6.084 -0.081 0.000) 6.084 9.332 ( -4.661 0.443 0.000) 4.682 10.092 ( 1.581 0.175 0.000) 1.590 10.207 ( 4.065 -3.381 0.000) 5.287 ======================= Grid point 48 (36/98) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -9.451 13.922 0.000) 16.826 1.023 ( -10.024 18.382 0.000) 20.938 1.309 ( -0.230 3.783 0.000) 3.790 1.504 ( -1.541 9.306 0.000) 9.433 1.509 ( -4.963 1.054 0.000) 5.074 1.599 ( -9.255 1.745 0.000) 9.418 1.697 ( -6.988 11.601 0.000) 13.543 1.830 ( -7.671 15.627 0.000) 17.408 1.973 ( -2.898 6.772 0.000) 7.366 2.022 ( -7.106 3.813 0.000) 8.064 2.071 ( 0.277 -3.891 0.000) 3.901 2.203 ( -0.731 -2.319 0.000) 2.432 2.267 ( -1.800 -4.794 0.000) 5.121 2.291 ( -7.221 1.622 0.000) 7.401 2.456 ( -6.389 6.131 0.000) 8.855 2.514 ( -2.692 -3.295 0.000) 4.255 2.550 ( 1.017 -1.200 0.000) 1.573 2.650 ( -0.649 1.040 0.000) 1.226 2.665 ( 0.938 0.532 0.000) 1.079 2.746 ( -4.015 0.843 0.000) 4.102 2.766 ( -2.884 -0.402 0.000) 2.912 2.796 ( -1.412 0.720 0.000) 1.585 2.847 ( -1.776 -2.637 0.000) 3.179 2.878 ( -7.565 5.172 0.000) 9.165 2.950 ( -6.968 -1.716 0.000) 7.176 2.964 ( -2.536 0.361 0.000) 2.562 2.983 ( -6.305 -2.961 0.000) 6.966 3.151 ( -5.975 0.651 0.000) 6.010 3.164 ( -4.534 6.172 0.000) 7.659 3.370 ( -2.927 -2.273 0.000) 3.706 3.429 ( 0.219 7.436 0.000) 7.439 3.704 ( 0.875 -2.007 0.000) 2.189 3.740 ( 0.051 -7.127 0.000) 7.128 3.887 ( 0.297 -6.613 0.000) 6.620 4.271 ( 1.892 -2.135 0.000) 2.852 4.360 ( 1.949 -0.635 0.000) 2.050 5.715 ( -0.381 4.788 0.000) 4.803 5.843 ( 1.531 -5.990 0.000) 6.182 6.288 ( 0.003 -1.374 0.000) 1.374 6.431 ( 0.174 -4.356 0.000) 4.360 6.495 ( -7.956 1.761 0.000) 8.149 6.515 ( -10.839 0.756 0.000) 10.866 6.543 ( -3.787 2.720 0.000) 4.662 6.570 ( -6.023 2.116 0.000) 6.383 7.247 ( 1.101 7.456 0.000) 7.537 7.303 ( 0.233 0.833 0.000) 0.865 7.310 ( -0.309 4.030 0.000) 4.042 7.475 ( 6.086 -0.293 0.000) 6.093 7.706 ( 1.437 4.346 0.000) 4.578 7.893 ( 7.786 3.288 0.000) 8.452 8.104 ( 2.695 0.411 0.000) 2.726 8.139 ( 0.952 2.684 0.000) 2.848 8.158 ( 1.634 -0.134 0.000) 1.639 8.312 ( 1.264 -2.693 0.000) 2.975 8.368 ( -2.875 -3.220 0.000) 4.317 8.475 ( -2.882 -0.911 0.000) 3.022 8.501 ( -5.087 -4.268 0.000) 6.640 8.661 ( -3.088 -0.042 0.000) 3.088 8.723 ( 0.213 -3.291 0.000) 3.298 8.927 ( -0.564 2.117 0.000) 2.191 8.958 ( -1.535 0.184 0.000) 1.546 9.069 ( -2.647 0.059 0.000) 2.648 9.101 ( -6.776 -1.163 0.000) 6.875 9.256 ( -2.401 1.060 0.000) 2.625 10.122 ( 1.262 0.005 0.000) 1.262 10.310 ( 3.289 -5.594 0.000) 6.489 ======================= Grid point 49 (37/98) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 18.293 0.000) 18.293 0.785 ( 0.000 19.646 0.000) 19.646 1.271 ( 0.000 7.221 0.000) 7.221 1.388 ( 0.000 12.795 0.000) 12.795 1.396 ( 0.000 26.688 0.000) 26.688 1.525 ( 0.000 9.907 0.000) 9.907 1.526 ( -0.000 -1.569 0.000) 1.569 1.670 ( 0.000 6.928 0.000) 6.928 1.914 ( 0.000 8.907 0.000) 8.907 1.953 ( 0.000 0.082 0.000) 0.082 2.096 ( -0.000 -3.363 0.000) 3.363 2.183 ( 0.000 1.439 0.000) 1.439 2.213 ( -0.000 -2.419 0.000) 2.419 2.246 ( 0.000 0.830 0.000) 0.830 2.355 ( 0.000 7.440 0.000) 7.440 2.521 ( -0.000 -4.309 0.000) 4.309 2.612 ( -0.000 -1.400 0.000) 1.400 2.621 ( -0.000 -1.530 0.000) 1.530 2.670 ( -0.000 -1.898 0.000) 1.898 2.687 ( 0.000 0.009 0.000) 0.009 2.719 ( 0.000 0.127 0.000) 0.127 2.753 ( 0.000 1.329 0.000) 1.329 2.758 ( 0.000 8.186 0.000) 8.186 2.846 ( -0.000 -2.735 0.000) 2.735 2.917 ( -0.000 -1.152 0.000) 1.152 2.941 ( -0.000 -1.224 0.000) 1.224 2.943 ( -0.000 -0.582 0.000) 0.582 3.074 ( 0.000 6.918 0.000) 6.918 3.097 ( -0.000 -4.799 0.000) 4.799 3.355 ( -0.000 -1.530 0.000) 1.530 3.388 ( 0.000 8.025 0.000) 8.025 3.719 ( -0.000 -0.420 0.000) 0.420 3.780 ( -0.000 -6.637 0.000) 6.637 3.942 ( -0.000 -8.490 0.000) 8.490 4.305 ( -0.000 -2.403 0.000) 2.403 4.384 ( -0.000 -0.649 0.000) 0.649 5.682 ( 0.000 5.024 0.000) 5.024 5.903 ( -0.000 -7.857 0.000) 7.857 6.298 ( -0.000 -1.028 0.000) 1.028 6.354 ( 0.000 4.953 0.000) 4.953 6.365 ( 0.000 4.734 0.000) 4.734 6.480 ( 0.000 3.470 0.000) 3.470 6.484 ( 0.000 3.585 0.000) 3.585 6.497 ( -0.000 -7.075 0.000) 7.075 7.208 ( 0.000 10.918 0.000) 10.918 7.291 ( 0.000 1.652 0.000) 1.652 7.301 ( 0.000 1.015 0.000) 1.015 7.529 ( 0.000 0.411 0.000) 0.411 7.710 ( 0.000 2.972 0.000) 2.972 8.052 ( -0.000 -3.027 0.000) 3.027 8.133 ( 0.000 3.829 0.000) 3.829 8.143 ( -0.000 -0.359 0.000) 0.359 8.192 ( -0.000 -0.091 0.000) 0.091 8.308 ( -0.000 -2.162 0.000) 2.162 8.325 ( -0.000 -2.022 0.000) 2.022 8.420 ( 0.000 0.259 0.000) 0.259 8.444 ( 0.000 0.499 0.000) 0.499 8.644 ( -0.000 -1.298 0.000) 1.298 8.719 ( -0.000 -0.748 0.000) 0.748 8.914 ( 0.000 1.744 0.000) 1.744 8.979 ( -0.000 -2.449 0.000) 2.449 9.004 ( 0.000 0.008 0.000) 0.008 9.039 ( 0.000 0.108 0.000) 0.108 9.226 ( 0.000 1.595 0.000) 1.595 10.136 ( -0.000 -0.010 0.000) 0.010 10.382 ( -0.000 -6.721 0.000) 6.721 ======================= Grid point 56 (38/98) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -2.221 0.000 0.000) 2.221 1.649 ( -2.408 0.000 0.000) 2.408 1.862 ( -8.258 0.000 0.000) 8.258 1.905 ( -2.942 0.000 0.000) 2.942 1.989 ( -3.707 0.000 0.000) 3.707 2.017 ( -2.943 0.000 0.000) 2.943 2.040 ( -5.774 0.000 0.000) 5.774 2.199 ( -4.654 0.000 0.000) 4.654 2.219 ( -3.828 0.000 0.000) 3.828 2.293 ( -0.540 0.000 0.000) 0.540 2.353 ( 0.770 -0.000 0.000) 0.770 2.353 ( -2.310 0.000 0.000) 2.310 2.473 ( 3.822 -0.000 0.000) 3.822 2.519 ( 0.607 -0.000 0.000) 0.607 2.682 ( -0.578 0.000 0.000) 0.578 2.700 ( -3.531 0.000 0.000) 3.531 2.708 ( 0.132 -0.000 0.000) 0.132 2.736 ( -1.521 0.000 0.000) 1.521 2.812 ( -0.301 0.000 0.000) 0.301 2.891 ( 0.896 -0.000 0.000) 0.896 2.929 ( -0.671 0.000 0.000) 0.671 3.004 ( 3.752 -0.000 0.000) 3.752 3.340 ( 0.571 -0.000 0.000) 0.571 3.357 ( -1.521 0.000 0.000) 1.521 3.370 ( -3.180 0.000 0.000) 3.180 3.420 ( 0.935 -0.000 0.000) 0.935 3.449 ( 1.015 -0.000 0.000) 1.015 3.564 ( -1.277 0.000 0.000) 1.277 3.802 ( -2.953 0.000 0.000) 2.953 3.816 ( -2.435 0.000 0.000) 2.435 3.874 ( -9.926 0.000 0.000) 9.926 3.975 ( -8.457 0.000 0.000) 8.457 3.986 ( -7.002 0.000 0.000) 7.002 4.062 ( -4.788 0.000 0.000) 4.788 4.255 ( -1.273 0.000 0.000) 1.273 4.256 ( -1.311 0.000 0.000) 1.311 5.744 ( -2.178 0.000 0.000) 2.178 5.996 ( -3.808 0.000 0.000) 3.808 6.568 ( -6.259 0.000 0.000) 6.259 6.577 ( -3.487 0.000 0.000) 3.487 6.784 ( -3.626 0.000 0.000) 3.626 6.831 ( -1.457 0.000 0.000) 1.457 7.088 ( -3.251 0.000 0.000) 3.251 7.191 ( -3.225 0.000 0.000) 3.225 7.364 ( -5.591 0.000 0.000) 5.591 7.418 ( -3.292 0.000 0.000) 3.292 7.480 ( -4.762 0.000 0.000) 4.762 7.550 ( -5.218 0.000 0.000) 5.218 7.747 ( 0.344 -0.000 0.000) 0.344 7.766 ( 0.668 -0.000 0.000) 0.668 8.014 ( 1.784 -0.000 0.000) 1.784 8.064 ( 1.906 -0.000 0.000) 1.906 8.082 ( 0.024 -0.000 0.000) 0.024 8.094 ( 1.927 -0.000 0.000) 1.927 8.102 ( -0.066 0.000 0.000) 0.066 8.204 ( 1.295 -0.000 0.000) 1.295 8.349 ( 1.613 -0.000 0.000) 1.613 8.423 ( 3.003 -0.000 0.000) 3.003 9.310 ( -5.279 0.000 0.000) 5.279 9.324 ( -3.803 0.000 0.000) 3.803 9.429 ( -2.883 0.000 0.000) 2.883 9.435 ( -2.689 0.000 0.000) 2.689 9.626 ( -5.740 0.000 0.000) 5.740 9.696 ( -4.495 0.000 0.000) 4.495 10.068 ( -0.329 0.000 0.000) 0.329 10.093 ( -0.576 0.000 0.000) 0.576 ======================= Grid point 58 (39/98) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.842 -0.144 0.000) 2.846 1.580 ( -4.532 0.086 0.000) 4.533 1.727 ( -5.156 0.934 0.000) 5.240 1.864 ( -1.840 -2.726 0.000) 3.289 1.898 ( -5.295 4.320 0.000) 6.834 1.942 ( -3.687 -3.375 0.000) 4.998 1.982 ( -0.987 -1.101 0.000) 1.478 2.049 ( -9.390 -1.105 0.000) 9.454 2.131 ( -4.718 0.059 0.000) 4.718 2.279 ( -1.887 3.756 0.000) 4.204 2.324 ( -0.889 -3.996 0.000) 4.094 2.354 ( -0.981 -0.835 0.000) 1.289 2.510 ( -2.255 0.261 0.000) 2.270 2.529 ( 0.316 -0.114 0.000) 0.335 2.609 ( -4.155 0.864 0.000) 4.244 2.667 ( -1.140 -0.574 0.000) 1.276 2.700 ( -1.753 0.068 0.000) 1.754 2.710 ( 0.231 -0.215 0.000) 0.315 2.827 ( 0.962 -1.471 0.000) 1.757 2.886 ( -1.995 1.582 0.000) 2.546 2.898 ( -1.153 -0.066 0.000) 1.155 3.075 ( 2.988 0.907 0.000) 3.123 3.218 ( -9.896 -1.046 0.000) 9.951 3.314 ( -4.990 -0.737 0.000) 5.044 3.340 ( -1.134 -0.643 0.000) 1.304 3.472 ( 0.897 -0.548 0.000) 1.051 3.483 ( 2.095 0.633 0.000) 2.189 3.493 ( -5.250 0.606 0.000) 5.285 3.668 ( -9.346 0.121 0.000) 9.347 3.704 ( -6.968 0.081 0.000) 6.969 3.718 ( -7.352 0.341 0.000) 7.360 3.789 ( -9.196 0.152 0.000) 9.197 3.826 ( -8.666 0.459 0.000) 8.678 3.970 ( -4.094 0.320 0.000) 4.107 4.220 ( -1.811 0.281 0.000) 1.833 4.229 ( -0.845 0.103 0.000) 0.852 5.723 ( -0.021 -0.496 0.000) 0.496 5.903 ( -5.105 0.188 0.000) 5.108 6.434 ( -6.654 -0.466 0.000) 6.671 6.480 ( -5.319 -0.151 0.000) 5.322 6.725 ( -2.882 -0.998 0.000) 3.050 6.819 ( -0.773 -0.522 0.000) 0.933 7.021 ( -3.368 -0.188 0.000) 3.373 7.096 ( -6.278 0.203 0.000) 6.281 7.252 ( -4.902 0.619 0.000) 4.941 7.362 ( -1.793 0.671 0.000) 1.915 7.394 ( -3.751 -0.537 0.000) 3.789 7.450 ( -4.781 -0.490 0.000) 4.806 7.752 ( 0.381 0.566 0.000) 0.682 7.784 ( 1.059 0.020 0.000) 1.059 8.041 ( 0.967 0.327 0.000) 1.021 8.076 ( 0.438 0.237 0.000) 0.498 8.098 ( 2.047 1.889 0.000) 2.785 8.139 ( 2.623 0.454 0.000) 2.662 8.152 ( 2.939 -2.684 0.000) 3.980 8.257 ( 3.373 -2.591 0.000) 4.253 8.388 ( 1.802 -1.318 0.000) 2.233 8.491 ( 3.403 -0.838 0.000) 3.504 9.174 ( -8.249 0.076 0.000) 8.249 9.229 ( -5.586 0.218 0.000) 5.590 9.350 ( -5.320 0.025 0.000) 5.320 9.363 ( -4.608 -0.024 0.000) 4.608 9.495 ( -6.989 0.324 0.000) 6.997 9.578 ( -6.857 0.201 0.000) 6.859 10.072 ( 0.794 0.052 0.000) 0.796 10.079 ( -0.444 0.054 0.000) 0.447 ======================= Grid point 59 (40/98) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.649 -0.106 0.000) 2.651 1.461 ( -7.396 1.023 0.000) 7.466 1.627 ( -2.751 9.152 0.000) 9.556 1.762 ( -4.638 6.677 0.000) 8.130 1.815 ( -7.794 -0.942 0.000) 7.850 1.908 ( -3.146 -6.500 0.000) 7.221 1.909 ( -1.547 -1.498 0.000) 2.154 2.004 ( 1.624 -5.328 0.000) 5.570 2.049 ( -3.204 0.019 0.000) 3.204 2.185 ( -5.576 4.925 0.000) 7.439 2.290 ( -6.322 -3.115 0.000) 7.048 2.305 ( -6.868 -3.057 0.000) 7.517 2.422 ( -6.530 -0.534 0.000) 6.552 2.454 ( -1.483 -2.776 0.000) 3.147 2.607 ( 1.736 0.856 0.000) 1.935 2.615 ( -4.105 2.109 0.000) 4.615 2.693 ( 0.026 -1.901 0.000) 1.901 2.718 ( 0.162 -0.035 0.000) 0.166 2.819 ( -3.190 0.495 0.000) 3.228 2.850 ( 0.016 -2.006 0.000) 2.006 2.858 ( -2.954 4.652 0.000) 5.511 3.011 ( -11.432 -3.967 0.000) 12.100 3.058 ( -7.091 3.637 0.000) 7.970 3.146 ( -8.528 -4.074 0.000) 9.451 3.261 ( -7.195 2.858 0.000) 7.742 3.388 ( -2.936 3.261 0.000) 4.388 3.463 ( -6.358 0.534 0.000) 6.380 3.488 ( 0.619 1.589 0.000) 1.705 3.520 ( -12.419 0.666 0.000) 12.437 3.520 ( -5.210 3.349 0.000) 6.193 3.533 ( -8.414 -0.921 0.000) 8.464 3.658 ( -4.358 -3.323 0.000) 5.480 3.666 ( -6.377 -1.051 0.000) 6.463 3.897 ( -3.336 -0.532 0.000) 3.378 4.195 ( -0.371 0.060 0.000) 0.376 4.239 ( 1.968 -0.297 0.000) 1.990 5.744 ( 1.593 -0.041 0.000) 1.594 5.811 ( -3.711 -0.257 0.000) 3.720 6.328 ( -4.321 -1.074 0.000) 4.452 6.389 ( -3.934 -1.360 0.000) 4.163 6.676 ( -2.662 -0.954 0.000) 2.828 6.786 ( -2.941 -0.164 0.000) 2.945 6.929 ( -6.865 0.298 0.000) 6.872 6.941 ( -9.088 0.333 0.000) 9.094 7.207 ( 1.573 -0.108 0.000) 1.577 7.339 ( -0.205 2.470 0.000) 2.478 7.341 ( -1.968 -0.537 0.000) 2.040 7.377 ( -2.203 -0.590 0.000) 2.281 7.758 ( 0.902 1.920 0.000) 2.121 7.807 ( 1.490 0.542 0.000) 1.586 8.054 ( 0.704 0.544 0.000) 0.890 8.092 ( 1.147 -0.070 0.000) 1.149 8.132 ( 2.500 2.825 0.000) 3.772 8.187 ( 2.599 0.416 0.000) 2.632 8.233 ( 3.027 -4.085 0.000) 5.084 8.356 ( 4.017 -4.956 0.000) 6.379 8.432 ( 1.362 -2.790 0.000) 3.105 8.562 ( 2.982 -1.784 0.000) 3.475 8.992 ( -9.702 0.412 0.000) 9.711 9.109 ( -5.804 0.965 0.000) 5.884 9.217 ( -7.676 0.355 0.000) 7.684 9.257 ( -5.858 0.032 0.000) 5.859 9.358 ( -6.478 0.716 0.000) 6.518 9.443 ( -6.315 0.001 0.000) 6.315 10.075 ( 0.531 0.332 0.000) 0.626 10.109 ( 2.389 -0.858 0.000) 2.539 ======================= Grid point 60 (41/98) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -9.262 5.439 0.000) 10.741 1.337 ( -1.434 -0.114 0.000) 1.438 1.483 ( -5.882 15.775 0.000) 16.836 1.647 ( -6.944 1.296 0.000) 7.064 1.658 ( -1.750 7.248 0.000) 7.456 1.859 ( -4.845 5.454 0.000) 7.295 1.912 ( -2.639 -7.029 0.000) 7.508 1.981 ( -8.612 6.087 0.000) 10.546 2.004 ( -2.532 -3.489 0.000) 4.311 2.107 ( 3.408 -8.105 0.000) 8.793 2.120 ( -8.780 -3.460 0.000) 9.437 2.187 ( -4.116 -2.155 0.000) 4.646 2.365 ( -1.327 -0.696 0.000) 1.499 2.437 ( -7.187 4.712 0.000) 8.594 2.502 ( -1.128 -0.945 0.000) 1.472 2.620 ( -1.629 1.888 0.000) 2.494 2.678 ( -5.026 -0.522 0.000) 5.053 2.683 ( -4.855 -0.761 0.000) 4.914 2.714 ( -5.347 2.083 0.000) 5.738 2.781 ( -0.840 -0.197 0.000) 0.863 2.814 ( -5.400 -1.799 0.000) 5.692 2.866 ( -3.540 -0.297 0.000) 3.553 2.867 ( -3.751 2.262 0.000) 4.380 3.052 ( -4.664 -0.142 0.000) 4.666 3.074 ( -8.144 5.109 0.000) 9.613 3.205 ( -15.354 0.643 0.000) 15.367 3.223 ( -14.962 1.560 0.000) 15.043 3.314 ( -3.834 4.247 0.000) 5.721 3.370 ( -5.298 6.565 0.000) 8.436 3.411 ( -7.635 -4.575 0.000) 8.901 3.514 ( 1.245 3.505 0.000) 3.720 3.622 ( -0.177 -4.498 0.000) 4.502 3.629 ( -1.679 -6.785 0.000) 6.990 3.843 ( -2.689 -1.937 0.000) 3.314 4.208 ( 1.337 -0.873 0.000) 1.597 4.297 ( 3.117 -0.517 0.000) 3.160 5.770 ( -1.020 -1.873 0.000) 2.133 5.771 ( 1.457 2.232 0.000) 2.666 6.277 ( -1.592 -1.325 0.000) 2.071 6.348 ( -1.531 -3.688 0.000) 3.993 6.626 ( -2.679 0.332 0.000) 2.700 6.698 ( -5.900 1.308 0.000) 6.044 6.743 ( -9.825 0.580 0.000) 9.842 6.749 ( -10.360 0.694 0.000) 10.384 7.300 ( 4.490 0.502 0.000) 4.518 7.309 ( -0.773 2.214 0.000) 2.345 7.327 ( 2.486 -1.140 0.000) 2.735 7.376 ( 1.690 3.179 0.000) 3.601 7.763 ( 1.101 3.872 0.000) 4.025 7.840 ( 2.520 1.117 0.000) 2.756 8.069 ( 1.295 0.367 0.000) 1.346 8.121 ( 1.626 -0.275 0.000) 1.649 8.160 ( 1.965 3.234 0.000) 3.784 8.239 ( 2.399 -0.929 0.000) 2.573 8.306 ( 1.697 -4.247 0.000) 4.574 8.447 ( 1.424 -5.499 0.000) 5.681 8.466 ( 0.177 -3.062 0.000) 3.067 8.631 ( 2.842 -2.317 0.000) 3.667 8.800 ( -8.797 0.823 0.000) 8.836 9.004 ( -3.750 1.719 0.000) 4.125 9.063 ( -6.801 0.876 0.000) 6.857 9.146 ( -4.861 0.150 0.000) 4.863 9.226 ( -6.689 0.153 0.000) 6.691 9.334 ( -4.563 0.014 0.000) 4.563 10.094 ( 1.433 0.145 0.000) 1.441 10.175 ( 3.188 -2.320 0.000) 3.943 ======================= Grid point 61 (42/98) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -7.164 10.922 0.000) 13.062 1.209 ( -11.562 14.050 0.000) 18.196 1.334 ( 1.327 1.127 0.000) 1.741 1.538 ( -2.908 4.233 0.000) 5.135 1.593 ( -3.927 5.731 0.000) 6.947 1.638 ( -8.290 5.529 0.000) 9.964 1.794 ( -2.698 6.792 0.000) 7.308 1.932 ( 0.225 2.509 0.000) 2.520 1.997 ( -0.660 -3.888 0.000) 3.944 2.069 ( 1.921 4.680 0.000) 5.059 2.125 ( -5.582 6.906 0.000) 8.880 2.181 ( -2.488 -2.925 0.000) 3.840 2.214 ( -3.270 2.726 0.000) 4.257 2.312 ( -5.747 2.038 0.000) 6.097 2.474 ( -5.462 -3.671 0.000) 6.580 2.518 ( -1.565 3.687 0.000) 4.006 2.543 ( -0.791 0.444 0.000) 0.907 2.658 ( -2.576 0.821 0.000) 2.704 2.671 ( 1.246 0.570 0.000) 1.370 2.756 ( -2.636 0.448 0.000) 2.674 2.762 ( -2.461 -0.211 0.000) 2.470 2.811 ( -1.634 2.539 0.000) 3.019 2.823 ( -1.651 -1.597 0.000) 2.297 2.915 ( -11.189 0.411 0.000) 11.197 2.937 ( -3.631 0.044 0.000) 3.631 2.954 ( -9.690 -2.354 0.000) 9.971 2.968 ( -3.154 0.329 0.000) 3.171 3.192 ( -5.659 6.732 0.000) 8.794 3.239 ( -3.721 7.125 0.000) 8.038 3.318 ( -4.055 -7.130 0.000) 8.202 3.500 ( 0.014 4.578 0.000) 4.578 3.659 ( 0.198 -6.888 0.000) 6.891 3.665 ( 1.063 -4.926 0.000) 5.040 3.823 ( -0.934 -4.371 0.000) 4.469 4.247 ( 1.437 -2.003 0.000) 2.465 4.353 ( 2.017 -0.468 0.000) 2.071 5.770 ( 0.535 4.920 0.000) 4.949 5.785 ( 0.508 -4.268 0.000) 4.298 6.272 ( 0.040 -1.443 0.000) 1.443 6.367 ( 0.438 -5.915 0.000) 5.932 6.527 ( -7.792 3.037 0.000) 8.363 6.535 ( -8.639 2.241 0.000) 8.925 6.571 ( -2.875 2.220 0.000) 3.633 6.595 ( -5.226 2.017 0.000) 5.601 7.292 ( 0.094 1.976 0.000) 1.978 7.309 ( 0.054 0.285 0.000) 0.290 7.382 ( 1.480 7.041 0.000) 7.194 7.473 ( 6.822 -0.156 0.000) 6.823 7.757 ( 0.911 4.699 0.000) 4.786 7.911 ( 5.453 0.215 0.000) 5.457 8.104 ( 2.115 -0.156 0.000) 2.121 8.156 ( 1.752 -0.225 0.000) 1.767 8.175 ( 1.607 3.441 0.000) 3.797 8.283 ( 0.712 -2.378 0.000) 2.482 8.332 ( -1.683 -3.148 0.000) 3.570 8.459 ( -2.547 -3.163 0.000) 4.061 8.464 ( -1.320 -0.977 0.000) 1.642 8.661 ( -4.296 -0.046 0.000) 4.296 8.694 ( 1.675 -2.035 0.000) 2.635 8.948 ( -1.069 1.571 0.000) 1.900 8.962 ( -2.532 0.366 0.000) 2.558 9.070 ( -2.748 0.048 0.000) 2.749 9.092 ( -6.685 -0.540 0.000) 6.707 9.264 ( -2.273 0.463 0.000) 2.320 10.122 ( 1.207 -0.014 0.000) 1.207 10.253 ( 2.510 -4.333 0.000) 5.007 ======================= Grid point 62 (43/98) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 14.916 0.000) 14.916 0.983 ( 0.000 15.423 0.000) 15.423 1.349 ( 0.000 6.377 0.000) 6.377 1.452 ( -0.000 -0.443 0.000) 0.443 1.485 ( 0.000 3.657 0.000) 3.657 1.570 ( 0.000 8.425 0.000) 8.425 1.752 ( 0.000 7.476 0.000) 7.476 1.845 ( 0.000 31.652 0.000) 31.652 1.954 ( 0.000 0.137 0.000) 0.137 1.998 ( 0.000 2.849 0.000) 2.849 2.083 ( 0.000 3.700 0.000) 3.700 2.181 ( -0.000 -3.327 0.000) 3.327 2.199 ( 0.000 1.310 0.000) 1.310 2.218 ( -0.000 -4.826 0.000) 4.826 2.445 ( 0.000 8.411 0.000) 8.411 2.467 ( -0.000 -5.224 0.000) 5.224 2.602 ( -0.000 -1.782 0.000) 1.782 2.626 ( 0.000 3.701 0.000) 3.701 2.648 ( -0.000 -1.953 0.000) 1.953 2.690 ( 0.000 0.532 0.000) 0.532 2.721 ( 0.000 0.146 0.000) 0.146 2.768 ( 0.000 1.299 0.000) 1.299 2.813 ( 0.000 0.380 0.000) 0.380 2.820 ( -0.000 -1.865 0.000) 1.865 2.899 ( -0.000 -3.103 0.000) 3.103 2.928 ( -0.000 -1.085 0.000) 1.085 2.936 ( -0.000 -0.579 0.000) 0.579 3.080 ( 0.000 3.872 0.000) 3.872 3.157 ( 0.000 7.635 0.000) 7.635 3.318 ( -0.000 -5.503 0.000) 5.503 3.470 ( 0.000 6.104 0.000) 6.104 3.700 ( -0.000 -3.121 0.000) 3.121 3.701 ( -0.000 -7.119 0.000) 7.119 3.851 ( -0.000 -7.233 0.000) 7.233 4.276 ( -0.000 -2.596 0.000) 2.596 4.377 ( -0.000 -0.534 0.000) 0.534 5.743 ( 0.000 5.817 0.000) 5.817 5.823 ( -0.000 -6.179 0.000) 6.179 6.283 ( -0.000 -1.518 0.000) 1.518 6.410 ( 0.000 4.711 0.000) 4.711 6.416 ( -0.000 -7.167 0.000) 7.167 6.418 ( 0.000 4.490 0.000) 4.490 6.519 ( 0.000 3.368 0.000) 3.368 6.524 ( 0.000 3.486 0.000) 3.486 7.283 ( 0.000 2.383 0.000) 2.383 7.308 ( 0.000 0.361 0.000) 0.361 7.351 ( 0.000 8.777 0.000) 8.777 7.538 ( 0.000 1.055 0.000) 1.055 7.747 ( 0.000 3.676 0.000) 3.676 8.015 ( -0.000 -3.689 0.000) 3.689 8.133 ( -0.000 -0.609 0.000) 0.609 8.181 ( 0.000 4.030 0.000) 4.030 8.188 ( -0.000 -0.583 0.000) 0.583 8.283 ( -0.000 -2.057 0.000) 2.057 8.303 ( -0.000 -1.891 0.000) 1.891 8.422 ( 0.000 0.108 0.000) 0.108 8.449 ( 0.000 0.325 0.000) 0.325 8.629 ( -0.000 -1.341 0.000) 1.341 8.711 ( -0.000 -0.685 0.000) 0.685 8.932 ( 0.000 1.393 0.000) 1.393 8.958 ( -0.000 -1.325 0.000) 1.325 9.004 ( 0.000 0.009 0.000) 0.009 9.040 ( 0.000 0.101 0.000) 0.101 9.239 ( 0.000 0.784 0.000) 0.784 10.135 ( -0.000 -0.051 0.000) 0.051 10.310 ( -0.000 -5.825 0.000) 5.825 ======================= Grid point 71 (44/98) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -2.558 0.000 0.000) 2.558 1.467 ( -6.904 0.000 0.000) 6.904 1.699 ( 1.383 -0.000 0.000) 1.383 1.803 ( -4.676 0.000 0.000) 4.676 1.811 ( -4.575 0.000 0.000) 4.575 1.858 ( -7.833 0.000 0.000) 7.833 1.887 ( -1.085 0.000 0.000) 1.085 1.973 ( 0.494 -0.000 0.000) 0.494 2.053 ( -2.452 0.000 0.000) 2.452 2.236 ( -3.366 0.000 0.000) 3.366 2.251 ( -7.589 0.000 0.000) 7.589 2.286 ( -7.808 0.000 0.000) 7.808 2.418 ( -6.392 0.000 0.000) 6.392 2.438 ( -2.493 0.000 0.000) 2.493 2.612 ( 1.638 -0.000 0.000) 1.638 2.630 ( -2.909 0.000 0.000) 2.909 2.679 ( -0.551 0.000 0.000) 0.551 2.717 ( 0.238 -0.000 0.000) 0.238 2.822 ( -3.524 0.000 0.000) 3.524 2.838 ( 0.218 -0.000 0.000) 0.218 2.892 ( -0.516 0.000 0.000) 0.516 2.980 ( -13.010 0.000 0.000) 13.010 3.100 ( -14.673 0.000 0.000) 14.673 3.102 ( -0.963 0.000 0.000) 0.963 3.278 ( -5.853 0.000 0.000) 5.853 3.410 ( -1.909 0.000 0.000) 1.909 3.465 ( -6.064 0.000 0.000) 6.064 3.496 ( 1.971 -0.000 0.000) 1.971 3.523 ( -12.580 0.000 0.000) 12.580 3.526 ( -10.039 0.000 0.000) 10.039 3.545 ( -4.324 0.000 0.000) 4.324 3.635 ( -6.191 0.000 0.000) 6.191 3.660 ( -7.306 0.000 0.000) 7.306 3.894 ( -3.606 0.000 0.000) 3.606 4.195 ( -0.552 0.000 0.000) 0.552 4.238 ( 1.887 -0.000 0.000) 1.887 5.743 ( 1.989 -0.000 0.000) 1.989 5.809 ( -3.965 0.000 0.000) 3.965 6.321 ( -4.306 0.000 0.000) 4.306 6.381 ( -4.270 0.000 0.000) 4.270 6.671 ( -2.315 0.000 0.000) 2.315 6.786 ( -2.690 0.000 0.000) 2.690 6.931 ( -6.709 0.000 0.000) 6.709 6.943 ( -9.073 0.000 0.000) 9.073 7.206 ( 1.306 -0.000 0.000) 1.306 7.338 ( -1.838 0.000 0.000) 1.838 7.358 ( 1.220 -0.000 0.000) 1.220 7.369 ( -3.113 0.000 0.000) 3.113 7.769 ( 1.203 -0.000 0.000) 1.203 7.810 ( 1.592 -0.000 0.000) 1.592 8.057 ( 0.644 -0.000 0.000) 0.644 8.091 ( 1.058 -0.000 0.000) 1.058 8.157 ( 2.913 -0.000 0.000) 2.913 8.192 ( 2.411 -0.000 0.000) 2.411 8.201 ( 2.791 -0.000 0.000) 2.791 8.325 ( 4.074 -0.000 0.000) 4.074 8.415 ( 1.387 -0.000 0.000) 1.387 8.553 ( 3.033 -0.000 0.000) 3.033 8.994 ( -9.625 0.000 0.000) 9.625 9.115 ( -5.673 0.000 0.000) 5.673 9.219 ( -7.566 0.000 0.000) 7.566 9.257 ( -5.821 0.000 0.000) 5.821 9.362 ( -6.548 0.000 0.000) 6.548 9.442 ( -6.428 0.000 0.000) 6.428 10.077 ( 0.452 -0.000 0.000) 0.452 10.104 ( 2.207 -0.000 0.000) 2.207 ======================= Grid point 73 (45/98) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -7.749 2.155 0.000) 8.043 1.334 ( -1.319 -0.339 0.000) 1.362 1.623 ( -10.411 5.555 0.000) 11.800 1.693 ( -1.621 9.245 0.000) 9.386 1.728 ( -2.400 4.289 0.000) 4.915 1.819 ( -0.734 -9.634 0.000) 9.662 1.883 ( -0.508 -1.047 0.000) 1.164 2.003 ( -10.435 3.433 0.000) 10.985 2.015 ( 1.309 -3.298 0.000) 3.548 2.043 ( -6.961 1.258 0.000) 7.073 2.072 ( -3.153 -4.553 0.000) 5.538 2.174 ( -3.210 -0.541 0.000) 3.255 2.360 ( -1.085 -0.195 0.000) 1.103 2.443 ( 1.234 -1.166 0.000) 1.698 2.521 ( -7.016 2.277 0.000) 7.376 2.639 ( 0.290 1.321 0.000) 1.353 2.669 ( -1.373 -0.729 0.000) 1.555 2.671 ( -7.700 -1.030 0.000) 7.769 2.729 ( -8.416 0.553 0.000) 8.435 2.783 ( -1.939 0.399 0.000) 1.980 2.800 ( -4.139 -0.668 0.000) 4.193 2.864 ( -4.575 -0.028 0.000) 4.576 2.878 ( -1.014 0.232 0.000) 1.040 3.051 ( -3.776 -0.023 0.000) 3.776 3.138 ( -7.122 4.662 0.000) 8.512 3.212 ( -15.664 0.439 0.000) 15.670 3.228 ( -16.211 -0.130 0.000) 16.211 3.340 ( -9.550 -2.389 0.000) 9.845 3.380 ( -2.986 1.568 0.000) 3.373 3.441 ( -4.672 5.355 0.000) 7.107 3.536 ( -0.978 -0.570 0.000) 1.132 3.562 ( 0.035 -3.620 0.000) 3.620 3.577 ( -1.779 -2.816 0.000) 3.331 3.829 ( -2.991 -0.566 0.000) 3.044 4.201 ( 0.952 -0.328 0.000) 1.007 4.293 ( 3.176 -0.182 0.000) 3.181 5.755 ( -1.607 -0.632 0.000) 1.727 5.790 ( 2.524 0.891 0.000) 2.676 6.266 ( -1.523 -0.502 0.000) 1.604 6.319 ( -2.313 -1.408 0.000) 2.708 6.629 ( -1.956 0.183 0.000) 1.964 6.709 ( -4.798 0.563 0.000) 4.831 6.747 ( -10.079 0.163 0.000) 10.081 6.755 ( -10.139 0.338 0.000) 10.144 7.304 ( 6.874 0.212 0.000) 6.877 7.317 ( 0.315 -0.523 0.000) 0.611 7.324 ( -1.242 0.612 0.000) 1.385 7.402 ( 3.069 1.237 0.000) 3.309 7.797 ( 1.819 1.780 0.000) 2.545 7.846 ( 2.050 0.041 0.000) 2.050 8.073 ( 1.140 0.170 0.000) 1.153 8.118 ( 1.601 -0.136 0.000) 1.607 8.198 ( 2.078 3.104 0.000) 3.735 8.234 ( 1.797 -0.103 0.000) 1.800 8.261 ( 1.944 -3.404 0.000) 3.920 8.401 ( 2.373 -2.274 0.000) 3.287 8.442 ( 0.848 -1.130 0.000) 1.413 8.614 ( 3.041 -0.719 0.000) 3.125 8.806 ( -8.850 0.280 0.000) 8.854 9.017 ( -3.818 0.587 0.000) 3.862 9.070 ( -6.822 0.291 0.000) 6.828 9.147 ( -4.884 0.041 0.000) 4.884 9.228 ( -7.048 0.111 0.000) 7.048 9.334 ( -4.457 -0.061 0.000) 4.457 10.095 ( 1.338 0.069 0.000) 1.340 10.157 ( 2.733 -0.834 0.000) 2.858 ======================= Grid point 74 (46/98) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -5.779 6.075 0.000) 8.385 1.331 ( -13.306 7.394 0.000) 15.223 1.340 ( 1.980 0.135 0.000) 1.985 1.595 ( -2.814 5.197 0.000) 5.910 1.636 ( -9.741 2.356 0.000) 10.022 1.710 ( -4.361 6.269 0.000) 7.637 1.852 ( 1.303 3.126 0.000) 3.387 1.940 ( 0.745 -5.293 0.000) 5.345 1.946 ( -0.121 1.276 0.000) 1.282 2.096 ( -1.103 -6.441 0.000) 6.535 2.118 ( 4.135 3.236 0.000) 5.251 2.133 ( -0.944 -2.219 0.000) 2.412 2.336 ( -3.095 2.123 0.000) 3.753 2.350 ( -3.173 11.814 0.000) 12.232 2.435 ( -8.884 -3.018 0.000) 9.383 2.512 ( 3.230 -2.283 0.000) 3.955 2.581 ( -3.013 3.904 0.000) 4.931 2.666 ( -1.331 -0.245 0.000) 1.354 2.677 ( 1.718 0.418 0.000) 1.768 2.754 ( -2.448 -0.000 0.000) 2.448 2.761 ( -2.175 -0.083 0.000) 2.176 2.810 ( -1.672 -0.750 0.000) 1.833 2.855 ( -1.169 3.888 0.000) 4.060 2.904 ( -12.583 -1.526 0.000) 12.675 2.927 ( -11.831 -1.596 0.000) 11.938 2.963 ( -7.063 5.039 0.000) 8.676 2.971 ( -3.630 0.258 0.000) 3.639 3.205 ( -7.268 -11.134 0.000) 13.296 3.291 ( -2.484 8.266 0.000) 8.631 3.323 ( -3.103 7.558 0.000) 8.170 3.507 ( -1.929 -4.161 0.000) 4.587 3.597 ( 0.432 -6.579 0.000) 6.593 3.610 ( 1.882 -0.854 0.000) 2.067 3.790 ( -1.422 -1.620 0.000) 2.155 4.228 ( 1.084 -1.222 0.000) 1.633 4.349 ( 2.104 -0.213 0.000) 2.114 5.749 ( -0.089 -2.158 0.000) 2.160 5.819 ( 1.481 3.462 0.000) 3.766 6.258 ( 0.026 -0.910 0.000) 0.911 6.309 ( -0.314 -4.063 0.000) 4.075 6.556 ( -7.338 1.879 0.000) 7.575 6.558 ( -7.800 1.707 0.000) 7.985 6.590 ( -1.911 1.185 0.000) 2.248 6.613 ( -4.411 1.137 0.000) 4.555 7.307 ( -0.201 0.889 0.000) 0.912 7.310 ( -0.045 0.052 0.000) 0.068 7.446 ( 2.436 4.056 0.000) 4.731 7.471 ( 7.416 -0.127 0.000) 7.418 7.809 ( 1.048 4.332 0.000) 4.457 7.901 ( 3.241 -1.781 0.000) 3.699 8.103 ( 1.826 -0.036 0.000) 1.826 8.153 ( 1.765 -0.213 0.000) 1.778 8.213 ( 1.466 3.167 0.000) 3.490 8.261 ( 0.336 -1.424 0.000) 1.463 8.297 ( -0.528 -2.960 0.000) 3.007 8.431 ( -0.449 -1.687 0.000) 1.745 8.455 ( -0.141 -0.638 0.000) 0.653 8.660 ( -5.153 -0.029 0.000) 5.153 8.677 ( 2.429 -0.951 0.000) 2.608 8.961 ( -1.413 0.825 0.000) 1.636 8.965 ( -3.061 0.273 0.000) 3.074 9.070 ( -2.773 0.030 0.000) 2.773 9.088 ( -6.651 -0.181 0.000) 6.654 9.267 ( -2.212 0.113 0.000) 2.215 10.122 ( 1.157 -0.002 0.000) 1.157 10.215 ( 2.018 -2.347 0.000) 3.095 ======================= Grid point 75 (47/98) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 9.987 0.000) 9.987 1.127 ( 0.000 9.954 0.000) 9.954 1.410 ( 0.000 4.313 0.000) 4.313 1.437 ( -0.000 -1.361 0.000) 1.361 1.537 ( 0.000 5.327 0.000) 5.327 1.660 ( 0.000 7.000 0.000) 7.000 1.834 ( 0.000 6.895 0.000) 6.895 1.956 ( -0.000 -0.002 0.000) 0.002 1.977 ( -0.000 -3.780 0.000) 3.780 2.087 ( 0.000 1.512 0.000) 1.512 2.139 ( -0.000 -3.890 0.000) 3.890 2.168 ( 0.000 8.435 0.000) 8.435 2.211 ( 0.000 0.901 0.000) 0.901 2.229 ( 0.000 16.864 0.000) 16.864 2.408 ( -0.000 -4.915 0.000) 4.915 2.543 ( 0.000 8.776 0.000) 8.776 2.584 ( -0.000 -1.283 0.000) 1.283 2.627 ( -0.000 -1.676 0.000) 1.676 2.681 ( 0.000 4.524 0.000) 4.524 2.698 ( 0.000 0.717 0.000) 0.717 2.723 ( 0.000 0.122 0.000) 0.122 2.781 ( 0.000 0.957 0.000) 0.957 2.782 ( -0.000 -4.730 0.000) 4.730 2.804 ( -0.000 -0.993 0.000) 0.993 2.849 ( -0.000 -3.755 0.000) 3.755 2.918 ( -0.000 -0.733 0.000) 0.733 2.931 ( -0.000 -0.432 0.000) 0.432 3.153 ( 0.000 2.426 0.000) 2.426 3.245 ( -0.000 -2.928 0.000) 2.928 3.245 ( 0.000 8.106 0.000) 8.106 3.506 ( -0.000 -1.104 0.000) 1.104 3.637 ( -0.000 -2.877 0.000) 2.877 3.644 ( -0.000 -6.790 0.000) 6.790 3.791 ( -0.000 -3.323 0.000) 3.323 4.250 ( -0.000 -2.026 0.000) 2.026 4.372 ( -0.000 -0.263 0.000) 0.263 5.767 ( -0.000 -3.784 0.000) 3.784 5.808 ( 0.000 5.335 0.000) 5.335 6.267 ( -0.000 -1.300 0.000) 1.300 6.339 ( -0.000 -6.179 0.000) 6.179 6.456 ( 0.000 3.349 0.000) 3.349 6.462 ( 0.000 3.183 0.000) 3.183 6.552 ( 0.000 2.476 0.000) 2.476 6.559 ( 0.000 2.566 0.000) 2.566 7.301 ( 0.000 1.125 0.000) 1.125 7.310 ( 0.000 0.038 0.000) 0.038 7.441 ( 0.000 6.613 0.000) 6.613 7.549 ( 0.000 0.740 0.000) 0.740 7.794 ( 0.000 4.589 0.000) 4.589 7.969 ( -0.000 -4.386 0.000) 4.386 8.128 ( -0.000 -0.332 0.000) 0.332 8.181 ( -0.000 -0.635 0.000) 0.635 8.221 ( 0.000 2.902 0.000) 2.902 8.263 ( -0.000 -1.503 0.000) 1.503 8.284 ( -0.000 -1.367 0.000) 1.367 8.423 ( 0.000 0.019 0.000) 0.019 8.452 ( 0.000 0.170 0.000) 0.170 8.615 ( -0.000 -1.088 0.000) 1.088 8.705 ( -0.000 -0.437 0.000) 0.437 8.945 ( 0.000 0.861 0.000) 0.861 8.948 ( -0.000 -0.520 0.000) 0.520 9.004 ( 0.000 0.007 0.000) 0.007 9.041 ( 0.000 0.072 0.000) 0.072 9.245 ( 0.000 0.260 0.000) 0.260 10.135 ( -0.000 -0.052 0.000) 0.052 10.254 ( -0.000 -3.871 0.000) 3.871 ======================= Grid point 86 (48/98) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -5.314 0.000 0.000) 5.314 1.340 ( 2.137 -0.000 0.000) 2.137 1.373 ( -13.839 0.000 0.000) 13.839 1.630 ( -3.509 0.000 0.000) 3.509 1.649 ( -10.997 0.000 0.000) 10.997 1.754 ( -4.581 0.000 0.000) 4.581 1.866 ( 3.999 -0.000 0.000) 3.999 1.901 ( 1.919 -0.000 0.000) 1.919 1.961 ( -1.480 0.000 0.000) 1.480 2.049 ( 0.312 -0.000 0.000) 0.312 2.121 ( -2.123 0.000 0.000) 2.123 2.137 ( 4.990 -0.000 0.000) 4.990 2.351 ( 0.019 -0.000 0.000) 0.019 2.415 ( -12.167 0.000 0.000) 12.167 2.425 ( -0.187 0.000 0.000) 0.187 2.491 ( 3.575 -0.000 0.000) 3.575 2.611 ( -2.871 0.000 0.000) 2.871 2.654 ( -0.155 0.000 0.000) 0.155 2.679 ( 1.948 -0.000 0.000) 1.948 2.758 ( -2.007 0.000 0.000) 2.007 2.760 ( -2.085 0.000 0.000) 2.085 2.806 ( -1.704 0.000 0.000) 1.704 2.872 ( -6.340 0.000 0.000) 6.340 2.895 ( -7.949 0.000 0.000) 7.949 2.918 ( -12.353 0.000 0.000) 12.353 2.973 ( -3.811 0.000 0.000) 3.811 3.057 ( -5.082 0.000 0.000) 5.082 3.077 ( -12.091 0.000 0.000) 12.091 3.353 ( -1.795 0.000 0.000) 1.795 3.387 ( -2.469 0.000 0.000) 2.469 3.455 ( -2.900 0.000 0.000) 2.900 3.548 ( -0.265 0.000 0.000) 0.265 3.612 ( 2.318 -0.000 0.000) 2.318 3.782 ( -1.480 0.000 0.000) 1.480 4.221 ( 0.950 -0.000 0.000) 0.950 4.348 ( 2.143 -0.000 0.000) 2.143 5.736 ( -0.282 0.000 0.000) 0.282 5.840 ( 1.951 -0.000 0.000) 1.951 6.253 ( 0.014 -0.000 0.000) 0.014 6.284 ( -0.726 0.000 0.000) 0.726 6.567 ( -7.238 0.000 0.000) 7.238 6.569 ( -7.760 0.000 0.000) 7.760 6.597 ( -1.361 0.000 0.000) 1.361 6.619 ( -4.051 0.000 0.000) 4.051 7.311 ( -0.074 0.000 0.000) 0.074 7.312 ( -0.250 0.000 0.000) 0.250 7.470 ( 2.749 -0.000 0.000) 2.749 7.470 ( 7.629 -0.000 0.000) 7.629 7.842 ( 1.801 -0.000 0.000) 1.801 7.883 ( 1.734 -0.000 0.000) 1.734 8.103 ( 1.725 -0.000 0.000) 1.725 8.152 ( 1.756 -0.000 0.000) 1.756 8.237 ( 0.944 -0.000 0.000) 0.944 8.253 ( 0.206 -0.000 0.000) 0.206 8.274 ( 0.323 -0.000 0.000) 0.323 8.421 ( 0.362 -0.000 0.000) 0.362 8.451 ( 0.295 -0.000 0.000) 0.295 8.660 ( -5.463 0.000 0.000) 5.463 8.672 ( 2.658 -0.000 0.000) 2.658 8.966 ( -1.535 0.000 0.000) 1.535 8.967 ( -3.220 0.000 0.000) 3.220 9.070 ( -2.774 0.000 0.000) 2.774 9.087 ( -6.656 0.000 0.000) 6.656 9.268 ( -2.191 0.000 0.000) 2.191 10.122 ( 1.136 -0.000 0.000) 1.136 10.202 ( 1.853 -0.000 0.000) 1.853 ======================= Grid point 88 (49/98) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 3.549 0.000) 3.549 1.203 ( 0.000 3.454 0.000) 3.454 1.426 ( -0.000 -0.524 0.000) 0.524 1.443 ( 0.000 1.518 0.000) 1.518 1.589 ( 0.000 2.988 0.000) 2.988 1.721 ( 0.000 3.305 0.000) 3.305 1.899 ( 0.000 3.947 0.000) 3.947 1.938 ( -0.000 -2.463 0.000) 2.463 1.952 ( -0.000 -0.565 0.000) 0.565 2.045 ( -0.000 -3.352 0.000) 3.352 2.101 ( -0.000 -2.309 0.000) 2.309 2.218 ( 0.000 0.319 0.000) 0.319 2.244 ( 0.000 4.287 0.000) 4.287 2.362 ( -0.000 -2.912 0.000) 2.912 2.431 ( 0.000 12.880 0.000) 12.880 2.575 ( -0.000 -0.414 0.000) 0.414 2.613 ( -0.000 -0.718 0.000) 0.718 2.636 ( 0.000 6.376 0.000) 6.376 2.671 ( -0.000 -3.701 0.000) 3.701 2.704 ( 0.000 0.355 0.000) 0.355 2.724 ( 0.000 0.048 0.000) 0.048 2.725 ( -0.000 -6.028 0.000) 6.028 2.788 ( 0.000 0.356 0.000) 0.356 2.797 ( -0.000 -0.325 0.000) 0.325 2.886 ( 0.000 10.654 0.000) 10.654 2.912 ( -0.000 -0.259 0.000) 0.259 2.927 ( -0.000 -0.161 0.000) 0.161 3.048 ( -0.000 -13.999 0.000) 13.999 3.311 ( 0.000 6.772 0.000) 6.772 3.336 ( 0.000 7.465 0.000) 7.465 3.450 ( -0.000 -6.710 0.000) 6.710 3.565 ( -0.000 -5.679 0.000) 5.679 3.634 ( 0.000 0.645 0.000) 0.645 3.770 ( -0.000 -0.746 0.000) 0.746 4.233 ( -0.000 -0.770 0.000) 0.770 4.371 ( -0.000 -0.064 0.000) 0.064 5.738 ( -0.000 -1.254 0.000) 1.254 5.854 ( 0.000 2.407 0.000) 2.407 6.256 ( -0.000 -0.507 0.000) 0.507 6.287 ( -0.000 -2.703 0.000) 2.703 6.482 ( 0.000 1.206 0.000) 1.206 6.487 ( 0.000 1.143 0.000) 1.143 6.572 ( 0.000 0.917 0.000) 0.917 6.579 ( 0.000 0.951 0.000) 0.951 7.310 ( 0.000 0.414 0.000) 0.414 7.310 ( -0.000 -0.013 0.000) 0.013 7.492 ( 0.000 2.357 0.000) 2.357 7.554 ( 0.000 0.223 0.000) 0.223 7.847 ( 0.000 4.345 0.000) 4.345 7.918 ( -0.000 -4.214 0.000) 4.214 8.126 ( -0.000 -0.093 0.000) 0.093 8.176 ( -0.000 -0.264 0.000) 0.264 8.244 ( 0.000 1.060 0.000) 1.060 8.251 ( -0.000 -0.555 0.000) 0.555 8.273 ( -0.000 -0.502 0.000) 0.502 8.423 ( -0.000 -0.003 0.000) 0.003 8.453 ( 0.000 0.051 0.000) 0.051 8.606 ( -0.000 -0.433 0.000) 0.433 8.701 ( -0.000 -0.143 0.000) 0.143 8.944 ( -0.000 -0.115 0.000) 0.115 8.951 ( 0.000 0.287 0.000) 0.287 9.004 ( 0.000 0.003 0.000) 0.003 9.041 ( 0.000 0.026 0.000) 0.026 9.246 ( 0.000 0.042 0.000) 0.042 10.134 ( -0.000 -0.016 0.000) 0.016 10.225 ( -0.000 -1.353 0.000) 1.353 ======================= Grid point 175 (50/98) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 0.000 21.570) 21.570 0.474 ( 0.000 0.000 22.091) 22.091 0.859 ( 0.000 0.000 -13.010) 13.010 0.889 ( 0.000 0.000 -17.434) 17.434 0.895 ( 0.000 0.000 37.712) 37.712 1.560 ( 0.000 0.000 -18.103) 18.103 1.679 ( 0.000 0.000 9.795) 9.795 1.692 ( 0.000 0.000 1.819) 1.819 1.792 ( 0.000 0.000 -11.412) 11.412 1.863 ( 0.000 0.000 -7.467) 7.467 1.898 ( 0.000 0.000 8.449) 8.449 2.061 ( 0.000 0.000 -7.008) 7.008 2.192 ( 0.000 0.000 2.671) 2.671 2.237 ( 0.000 0.000 -1.534) 1.534 2.363 ( 0.000 0.000 8.548) 8.548 2.540 ( 0.000 0.000 -6.409) 6.409 2.604 ( 0.000 0.000 0.128) 0.128 2.619 ( 0.000 0.000 -2.904) 2.904 2.659 ( 0.000 0.000 1.397) 1.397 2.691 ( 0.000 0.000 -1.436) 1.436 2.720 ( 0.000 0.000 0.232) 0.232 2.725 ( 0.000 0.000 -0.241) 0.241 2.807 ( 0.000 0.000 1.984) 1.984 2.839 ( 0.000 0.000 -1.738) 1.738 2.901 ( 0.000 0.000 4.098) 4.098 2.959 ( 0.000 0.000 0.337) 0.337 2.965 ( 0.000 0.000 -0.250) 0.250 3.021 ( 0.000 0.000 -5.868) 5.868 3.184 ( 0.000 0.000 1.677) 1.677 3.218 ( 0.000 0.000 -0.981) 0.981 3.399 ( 0.000 0.000 11.888) 11.888 3.607 ( 0.000 0.000 -7.356) 7.356 3.947 ( 0.000 0.000 3.020) 3.020 4.011 ( 0.000 0.000 -2.771) 2.771 4.364 ( 0.000 0.000 1.340) 1.340 4.387 ( 0.000 0.000 -0.687) 0.687 6.142 ( 0.000 0.000 3.245) 3.245 6.227 ( 0.000 0.000 -4.537) 4.537 6.257 ( 0.000 0.000 0.325) 0.325 6.265 ( 0.000 0.000 -0.334) 0.334 6.410 ( 0.000 0.000 0.049) 0.049 6.411 ( 0.000 0.000 -0.039) 0.039 6.537 ( 0.000 0.000 5.450) 5.450 6.645 ( 0.000 0.000 -4.400) 4.400 6.948 ( 0.000 0.000 2.339) 2.339 7.002 ( 0.000 0.000 -2.463) 2.463 7.276 ( 0.000 0.000 0.704) 0.704 7.285 ( 0.000 0.000 -0.083) 0.083 7.576 ( 0.000 0.000 1.286) 1.286 7.610 ( 0.000 0.000 -1.687) 1.687 8.165 ( 0.000 0.000 0.352) 0.352 8.173 ( 0.000 0.000 -0.357) 0.357 8.359 ( 0.000 0.000 0.314) 0.314 8.366 ( 0.000 0.000 -0.370) 0.370 8.414 ( 0.000 0.000 0.431) 0.431 8.423 ( 0.000 0.000 -0.394) 0.394 8.435 ( 0.000 0.000 3.656) 3.656 8.525 ( 0.000 0.000 -4.410) 4.410 8.917 ( 0.000 0.000 3.528) 3.528 8.983 ( 0.000 0.000 -2.370) 2.370 9.012 ( 0.000 0.000 0.732) 0.732 9.028 ( 0.000 0.000 -0.714) 0.714 9.078 ( 0.000 0.000 -0.015) 0.015 9.080 ( 0.000 0.000 -0.162) 0.162 10.532 ( 0.000 0.000 0.046) 0.046 10.533 ( 0.000 0.000 -0.043) 0.043 ======================= Grid point 176 (51/98) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 17.021 -2.607 13.952) 22.162 0.818 ( 17.189 -3.150 18.100) 25.160 0.963 ( 9.033 -3.149 -10.724) 14.371 1.128 ( 16.446 -2.642 -11.880) 20.459 1.190 ( 28.867 -8.193 22.627) 37.582 1.603 ( 2.436 6.865 -3.241) 7.973 1.639 ( -2.039 -0.493 2.419) 3.202 1.692 ( 7.425 -7.253 -8.436) 13.375 1.857 ( 3.900 3.947 4.419) 7.094 1.940 ( 7.945 -5.687 -8.399) 12.884 2.001 ( 8.268 -1.745 0.329) 8.457 2.093 ( 3.680 -0.916 -5.346) 6.555 2.281 ( 7.588 -0.013 2.183) 7.896 2.320 ( 4.915 0.642 -0.037) 4.957 2.357 ( 2.797 0.523 5.690) 6.362 2.505 ( -1.954 1.278 -5.246) 5.742 2.583 ( -1.516 0.418 -0.262) 1.595 2.595 ( -1.428 0.723 -2.583) 3.038 2.712 ( 0.487 0.738 0.567) 1.051 2.726 ( 1.778 -0.954 -0.900) 2.209 2.755 ( 5.316 -0.022 -0.405) 5.331 2.766 ( 5.413 0.170 -1.234) 5.554 2.857 ( 4.621 3.154 2.987) 6.342 2.900 ( 1.801 -3.799 3.687) 5.592 2.913 ( 6.242 1.545 -3.187) 7.177 2.983 ( 2.070 -0.720 -3.964) 4.530 3.062 ( 7.711 -0.766 1.525) 7.898 3.114 ( 7.123 1.863 -2.817) 7.883 3.181 ( 0.499 0.553 1.910) 2.050 3.225 ( 0.645 -2.926 -1.916) 3.557 3.406 ( 0.403 -1.631 11.969) 12.087 3.614 ( 0.802 -0.477 -7.463) 7.521 3.940 ( -0.303 1.318 3.161) 3.439 4.005 ( -0.359 1.262 -2.820) 3.110 4.333 ( -2.731 0.309 1.352) 3.063 4.358 ( -2.368 0.116 -1.021) 2.582 5.885 ( -10.585 1.481 13.468) 17.194 6.025 ( -7.335 2.012 -1.780) 7.812 6.325 ( 1.062 -0.144 2.227) 2.471 6.373 ( 5.873 -0.506 -1.656) 6.123 6.474 ( 6.416 -0.521 0.173) 6.440 6.484 ( 7.457 -0.592 -0.502) 7.498 6.680 ( 5.514 5.805 1.080) 8.079 6.766 ( 11.606 13.062 -6.466) 18.632 6.958 ( 0.195 -5.098 3.114) 5.977 7.062 ( -0.679 -13.924 -8.601) 16.380 7.285 ( 0.267 0.048 0.686) 0.738 7.304 ( 1.435 -1.807 -1.327) 2.662 7.579 ( 0.334 -1.272 1.518) 2.008 7.618 ( 0.319 -2.270 -1.915) 2.987 8.129 ( -2.880 -0.109 1.181) 3.114 8.135 ( -1.915 0.078 0.027) 1.917 8.236 ( -4.789 0.000 6.878) 8.381 8.343 ( -3.885 0.459 -3.308) 5.123 8.468 ( 7.075 0.823 0.455) 7.137 8.477 ( 6.248 -0.414 -0.336) 6.270 8.612 ( 7.351 1.111 -1.005) 7.502 8.624 ( 6.594 -0.778 -2.106) 6.965 8.889 ( -0.457 4.148 2.478) 4.853 8.921 ( -0.566 2.244 0.216) 2.325 8.983 ( -2.624 -0.398 0.847) 2.786 9.026 ( -1.252 -2.198 -2.778) 3.757 9.144 ( 4.265 -0.575 0.088) 4.305 9.163 ( 5.250 -0.507 -2.522) 5.847 10.339 ( -10.421 2.733 9.373) 14.280 10.445 ( -6.999 1.903 -2.321) 7.616 ======================= Grid point 177 (52/98) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 20.489 -1.279 7.098) 21.721 1.140 ( 14.754 -2.831 13.764) 20.375 1.216 ( 13.370 -2.969 -3.274) 14.082 1.376 ( 7.985 -0.986 -6.327) 10.236 1.599 ( 3.028 0.128 -1.581) 3.419 1.647 ( 3.825 -1.542 -3.776) 5.591 1.894 ( 23.805 -6.372 8.025) 25.917 1.944 ( 11.701 3.844 4.901) 13.256 2.057 ( 14.341 -1.286 -1.070) 14.438 2.133 ( 14.891 -4.119 -6.800) 16.881 2.189 ( 8.809 -0.524 0.535) 8.841 2.252 ( 9.909 -3.947 -4.972) 11.768 2.314 ( 1.284 3.195 5.664) 6.628 2.420 ( 3.349 1.401 -2.142) 4.215 2.493 ( 4.879 0.258 -0.378) 4.900 2.534 ( 4.862 -0.593 -1.289) 5.065 2.553 ( -1.106 0.490 -1.087) 1.626 2.583 ( 3.275 -1.525 -4.064) 5.437 2.729 ( 2.076 0.019 1.497) 2.559 2.752 ( 0.969 -0.527 -0.860) 1.399 2.856 ( 3.401 1.660 -0.084) 3.785 2.863 ( 3.968 1.023 0.117) 4.100 2.931 ( 4.188 0.614 1.008) 4.351 2.979 ( 3.775 0.233 -0.557) 3.823 3.071 ( 10.369 0.337 -1.046) 10.427 3.089 ( 8.060 -0.363 -2.865) 8.562 3.203 ( 6.591 1.066 -0.253) 6.681 3.208 ( 5.761 0.848 -0.427) 5.838 3.268 ( 6.927 -3.174 2.327) 7.967 3.325 ( 5.772 -4.833 -2.509) 7.936 3.444 ( 3.056 -0.936 11.869) 12.292 3.644 ( 2.056 0.213 -7.289) 7.577 3.915 ( -1.395 2.125 3.317) 4.179 3.978 ( -1.480 2.244 -2.535) 3.695 4.267 ( -3.372 0.378 1.520) 3.718 4.301 ( -3.118 0.213 -1.627) 3.523 5.781 ( -1.260 0.401 7.617) 7.731 5.889 ( -4.655 1.749 -2.328) 5.490 6.353 ( 2.043 0.232 2.388) 3.152 6.434 ( 1.232 0.312 -5.037) 5.195 6.643 ( 8.204 -0.436 1.883) 8.429 6.667 ( 9.672 -0.452 -0.554) 9.698 6.797 ( 9.329 5.932 3.376) 11.559 6.876 ( 6.999 8.428 -3.091) 11.383 7.019 ( 2.331 -7.935 2.502) 8.641 7.108 ( -0.351 -7.921 -5.993) 9.939 7.301 ( 1.530 -0.253 1.065) 1.881 7.332 ( 0.970 -0.070 -1.931) 2.162 7.609 ( 1.555 -2.118 1.709) 3.134 7.655 ( 1.961 -2.495 -2.417) 3.989 8.088 ( -1.363 -0.225 2.673) 3.009 8.107 ( -0.781 0.110 -0.189) 0.811 8.162 ( -3.031 0.008 4.087) 5.089 8.261 ( -3.976 0.416 -3.971) 5.635 8.552 ( 0.533 2.922 3.355) 4.481 8.615 ( 4.411 2.463 -2.161) 5.495 8.730 ( 7.190 -0.632 -0.036) 7.218 8.733 ( 4.751 1.629 -0.378) 5.037 8.874 ( 0.058 3.013 0.481) 3.052 8.883 ( -0.782 6.125 -0.389) 6.187 9.006 ( 4.735 -4.157 2.550) 6.797 9.072 ( 5.816 -3.408 -3.128) 7.432 9.235 ( 4.587 -0.263 0.355) 4.608 9.259 ( 4.327 -0.883 -2.196) 4.932 10.177 ( -5.501 1.031 6.457) 8.545 10.285 ( -7.311 1.799 -3.479) 8.294 ======================= Grid point 178 (53/98) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 7.945 -0.432 3.382) 8.646 1.432 ( 10.454 0.530 -0.101) 10.468 1.495 ( 16.222 -0.349 6.702) 17.555 1.541 ( 11.057 -2.370 2.668) 11.619 1.722 ( 9.687 -0.512 -3.467) 10.302 1.798 ( 9.206 -2.855 -6.271) 11.500 2.046 ( 6.123 2.268 4.718) 8.056 2.130 ( 4.202 1.421 -3.457) 5.624 2.251 ( 0.205 3.957 3.481) 5.274 2.310 ( 3.429 4.876 -2.030) 6.297 2.365 ( 6.431 -1.494 2.631) 7.108 2.433 ( 6.637 0.453 -2.041) 6.959 2.475 ( 3.452 0.304 1.634) 3.831 2.513 ( 3.733 -3.377 0.494) 5.058 2.524 ( -0.111 1.060 -2.073) 2.331 2.567 ( 3.519 -1.100 -4.560) 5.864 2.658 ( 10.497 -0.008 3.421) 11.040 2.716 ( 3.238 -1.848 -0.835) 3.821 2.769 ( 1.165 1.310 2.106) 2.740 2.811 ( 2.981 0.177 -1.732) 3.453 2.905 ( 6.129 1.010 0.091) 6.213 2.957 ( 4.048 3.286 -4.347) 6.788 2.998 ( 8.035 -3.790 3.530) 9.559 3.079 ( 7.750 -5.136 -4.603) 10.375 3.281 ( 10.773 2.878 0.227) 11.153 3.296 ( 9.681 2.634 -0.982) 10.081 3.356 ( 9.416 -2.137 1.454) 9.764 3.383 ( 10.168 -2.050 -1.841) 10.535 3.411 ( 6.001 -3.607 1.527) 7.166 3.442 ( 4.674 -2.690 -0.790) 5.451 3.556 ( 7.479 0.151 6.966) 10.222 3.688 ( 2.378 1.133 -5.064) 5.708 3.864 ( -2.177 1.432 3.599) 4.444 3.923 ( -2.714 1.100 -2.087) 3.596 4.207 ( -2.287 0.029 1.422) 2.694 4.241 ( -2.592 0.184 -1.622) 3.063 5.790 ( 1.826 0.584 2.877) 3.457 5.834 ( -0.118 0.776 -1.055) 1.315 6.405 ( 3.366 0.563 1.234) 3.630 6.445 ( 0.484 0.475 -2.240) 2.341 6.786 ( 6.753 1.158 2.534) 7.305 6.837 ( 7.252 1.493 -1.853) 7.633 6.947 ( 7.760 3.334 0.764) 8.480 6.970 ( 6.217 4.376 -1.258) 7.706 7.132 ( 4.415 -5.660 0.495) 7.195 7.151 ( 1.520 -4.273 -1.330) 4.726 7.358 ( 4.113 -0.506 -0.041) 4.144 7.361 ( 2.309 -0.028 -0.372) 2.339 7.658 ( 2.204 -1.475 2.117) 3.394 7.712 ( 2.363 -1.434 -2.736) 3.889 8.070 ( -0.917 -0.338 3.931) 4.051 8.097 ( -0.304 0.243 -0.120) 0.407 8.113 ( -1.707 0.394 1.256) 2.156 8.185 ( -3.297 0.384 -3.730) 4.993 8.481 ( -4.471 3.674 4.376) 7.256 8.578 ( -4.298 3.998 -4.407) 7.340 8.713 ( -3.558 5.551 2.793) 7.161 8.767 ( -3.913 5.817 -2.207) 7.350 8.958 ( 10.570 -1.296 1.004) 10.696 8.984 ( 9.456 -2.098 -1.385) 9.784 9.190 ( 10.348 -1.771 2.485) 10.789 9.239 ( 8.496 -0.278 -1.745) 8.678 9.328 ( 4.537 -0.814 0.647) 4.655 9.354 ( 4.747 -2.312 -1.904) 5.613 10.092 ( -2.957 0.129 3.154) 4.325 10.153 ( -4.996 0.916 -2.307) 5.579 ======================= Grid point 179 (54/98) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 3.222 0.487 2.764) 4.272 1.544 ( 3.725 -0.086 -2.205) 4.330 1.796 ( 12.093 -1.832 6.509) 13.855 1.820 ( 14.765 2.654 2.339) 15.183 1.940 ( 10.817 0.612 -1.903) 11.000 2.006 ( 9.577 -2.129 -4.275) 10.702 2.122 ( 2.664 3.988 1.849) 5.140 2.159 ( -0.575 3.491 -1.308) 3.772 2.242 ( 1.701 2.642 3.670) 4.831 2.314 ( 1.160 4.800 -2.962) 5.758 2.433 ( 0.064 -0.892 1.488) 1.736 2.472 ( -2.047 1.394 0.823) 2.610 2.494 ( 0.755 3.089 -0.102) 3.181 2.522 ( 2.653 -0.335 -3.376) 4.307 2.550 ( 0.149 -1.762 2.659) 3.193 2.646 ( 1.432 -2.900 -4.417) 5.475 2.729 ( -0.607 0.581 2.458) 2.598 2.750 ( 1.785 0.375 0.466) 1.883 2.788 ( 0.883 -0.592 0.719) 1.283 2.815 ( -0.481 -0.986 -1.369) 1.755 2.943 ( -1.024 1.209 -1.556) 2.220 2.962 ( -0.715 3.593 -2.913) 4.680 3.293 ( 9.308 -2.025 2.351) 9.812 3.324 ( 11.135 -3.324 -0.626) 11.637 3.378 ( 0.723 0.577 0.340) 0.985 3.392 ( 0.506 -0.079 -0.967) 1.094 3.542 ( 9.752 2.778 0.624) 10.159 3.554 ( 8.797 1.952 -0.229) 9.014 3.630 ( 9.184 -2.751 -0.014) 9.587 3.643 ( 10.311 -0.932 -1.397) 10.447 3.691 ( 7.315 -0.141 0.815) 7.362 3.708 ( 2.253 -1.253 -0.999) 2.765 3.862 ( 3.794 -0.314 2.950) 4.816 3.898 ( 1.626 -1.622 -0.498) 2.350 4.185 ( -0.099 -0.825 0.842) 1.183 4.207 ( -0.767 -0.331 -1.060) 1.349 5.830 ( 2.448 1.434 1.884) 3.406 5.866 ( 3.197 0.136 -1.341) 3.469 6.464 ( 1.731 -0.651 0.485) 1.911 6.477 ( 4.057 0.406 -0.626) 4.126 6.900 ( 5.782 3.570 1.219) 6.904 6.938 ( 4.771 4.418 -2.191) 6.861 7.056 ( 4.331 1.699 0.695) 4.703 7.067 ( 4.993 0.955 -0.182) 5.087 7.220 ( 3.876 -2.167 0.941) 4.539 7.241 ( 3.948 -3.527 -0.886) 5.367 7.426 ( 4.087 -0.399 1.420) 4.345 7.464 ( 5.938 -0.068 -1.884) 6.231 7.706 ( 1.908 -0.606 2.192) 2.969 7.755 ( 1.375 -0.223 -2.176) 2.584 8.047 ( -1.497 -0.262 3.616) 3.922 8.087 ( -0.348 0.790 0.177) 0.881 8.091 ( -0.824 0.941 -0.360) 1.302 8.130 ( -1.865 0.225 -3.075) 3.603 8.360 ( -5.330 3.488 4.045) 7.546 8.446 ( -6.143 4.101 -3.582) 8.209 8.595 ( -5.118 4.359 1.833) 6.968 8.634 ( -5.971 4.441 -1.681) 7.629 9.166 ( 9.077 -0.368 0.377) 9.093 9.179 ( 8.456 -0.857 -0.769) 8.534 9.366 ( 5.564 1.050 0.296) 5.670 9.372 ( 4.963 0.811 -0.267) 5.036 9.452 ( 7.858 -2.316 1.585) 8.344 9.490 ( 7.210 -2.793 -1.842) 7.948 10.058 ( -0.610 -0.528 1.206) 1.451 10.081 ( -1.994 0.021 -0.834) 2.162 ======================= Grid point 180 (55/98) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 1.895 0.333 3.290) 3.812 1.604 ( 2.267 -0.221 -2.777) 3.592 2.002 ( 8.021 1.193 3.372) 8.783 2.032 ( 7.423 3.578 0.120) 8.241 2.063 ( -0.823 4.252 1.853) 4.711 2.107 ( -0.013 3.630 -1.141) 3.805 2.143 ( 6.324 1.815 1.707) 6.797 2.191 ( 6.478 -0.603 -2.014) 6.810 2.267 ( 0.899 -0.305 2.613) 2.780 2.311 ( -0.093 1.541 -1.048) 1.866 2.409 ( -2.540 -0.126 1.336) 2.873 2.428 ( -0.521 1.096 1.328) 1.799 2.481 ( -0.309 2.077 0.651) 2.199 2.543 ( -0.961 -0.797 -3.020) 3.268 2.579 ( 2.454 0.335 0.980) 2.663 2.666 ( 0.124 -1.270 -3.446) 3.675 2.726 ( 0.395 -0.038 2.423) 2.456 2.769 ( 0.615 0.822 -1.177) 1.562 2.806 ( 0.013 -2.628 -0.119) 2.630 2.824 ( -0.048 -2.982 -1.484) 3.331 2.895 ( -2.558 1.491 -2.268) 3.730 2.909 ( -2.021 3.374 -2.692) 4.766 3.356 ( -1.362 0.474 0.161) 1.451 3.361 ( -2.072 -0.230 -0.255) 2.101 3.416 ( 3.431 -0.270 3.080) 4.619 3.472 ( 3.125 0.686 -2.172) 3.867 3.556 ( -2.243 1.940 1.824) 3.482 3.586 ( -2.017 2.527 -0.840) 3.341 3.746 ( 3.743 -1.859 1.000) 4.298 3.771 ( 3.516 -1.084 -1.265) 3.890 3.916 ( 10.768 -0.306 -0.216) 10.774 3.922 ( 11.263 -1.185 -0.783) 11.352 4.002 ( 7.940 -0.268 1.588) 8.101 4.011 ( 7.395 -1.015 0.838) 7.511 4.204 ( 0.969 -1.593 0.181) 1.873 4.210 ( 0.470 -1.217 -0.383) 1.360 5.863 ( 1.789 1.722 3.206) 4.055 5.936 ( 3.305 -0.001 -3.164) 4.575 6.520 ( 2.877 -1.712 1.724) 3.766 6.558 ( 3.999 -0.304 -1.672) 4.345 6.956 ( 2.206 5.245 0.593) 5.721 6.976 ( 1.787 5.318 -1.243) 5.746 7.116 ( 2.543 -0.309 1.753) 3.104 7.147 ( 3.109 -0.724 -1.022) 3.351 7.326 ( 5.526 -0.985 0.506) 5.636 7.341 ( 4.622 -1.864 -0.836) 5.054 7.517 ( 4.488 -0.357 2.346) 5.077 7.574 ( 4.861 0.350 -2.784) 5.613 7.737 ( 1.004 0.121 1.739) 2.012 7.769 ( 0.117 0.314 -1.150) 1.198 8.021 ( -1.094 -0.216 1.974) 2.267 8.058 ( -1.497 0.934 -1.410) 2.259 8.071 ( -0.838 1.140 0.927) 1.691 8.107 ( -0.871 0.858 -2.246) 2.557 8.248 ( -3.699 2.297 3.564) 5.627 8.309 ( -5.151 2.647 -1.958) 6.113 8.471 ( -5.006 2.965 0.718) 5.862 8.494 ( -5.731 2.801 -1.254) 6.501 9.309 ( 5.210 0.019 0.054) 5.211 9.315 ( 4.937 -0.020 -0.450) 4.957 9.436 ( 2.585 0.332 0.178) 2.612 9.440 ( 2.510 0.397 -0.185) 2.548 9.613 ( 6.509 -1.028 1.022) 6.668 9.638 ( 5.847 -1.561 -1.194) 6.169 10.066 ( 0.727 -0.587 0.258) 0.969 10.068 ( 0.351 -0.495 0.109) 0.616 ======================= Grid point 181 (56/98) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.650 0.114 3.624) 3.683 1.636 ( 0.812 -0.096 -3.140) 3.245 1.997 ( -1.441 2.341 1.839) 3.307 2.039 ( -0.553 2.101 -1.992) 2.948 2.127 ( 3.735 1.258 2.036) 4.435 2.145 ( 2.430 1.570 0.048) 2.893 2.220 ( 0.802 0.076 2.865) 2.976 2.254 ( -0.835 -0.047 -0.703) 1.093 2.293 ( 1.881 -0.366 0.618) 2.014 2.318 ( 1.785 -0.173 -0.987) 2.047 2.375 ( -0.079 0.304 5.311) 5.320 2.408 ( -1.972 -0.523 4.063) 4.547 2.477 ( 0.958 1.825 -1.154) 2.362 2.527 ( -0.817 -0.865 -2.788) 3.031 2.616 ( 1.210 0.246 -1.027) 1.606 2.675 ( 0.180 -0.436 -3.155) 3.190 2.736 ( 0.412 -0.028 1.069) 1.146 2.772 ( 0.115 0.304 -1.469) 1.504 2.807 ( -1.165 -1.349 -1.224) 2.162 2.834 ( -0.239 -1.311 -2.059) 2.452 2.853 ( -0.543 0.850 -1.202) 1.569 2.865 ( -0.701 1.226 -2.168) 2.587 3.325 ( -1.141 -0.227 0.066) 1.165 3.330 ( -0.828 0.144 -0.436) 0.947 3.460 ( 0.912 0.835 0.757) 1.450 3.467 ( -0.838 1.072 0.060) 1.362 3.540 ( -0.182 -0.090 0.797) 0.822 3.545 ( -0.407 0.063 0.469) 0.624 3.801 ( 1.178 -0.703 0.608) 1.500 3.813 ( 0.706 -0.394 -0.465) 0.933 4.056 ( 3.420 0.508 0.686) 3.525 4.072 ( 3.497 0.179 -0.926) 3.622 4.124 ( 3.506 0.091 1.135) 3.686 4.134 ( 3.536 -0.129 0.111) 3.541 4.231 ( 0.676 -1.085 -0.026) 1.278 4.231 ( 0.664 -1.110 -0.081) 1.296 5.881 ( 0.662 0.764 4.350) 4.466 5.983 ( 1.278 0.014 -4.705) 4.875 6.578 ( 1.585 -1.082 2.348) 3.032 6.625 ( 1.975 -0.473 -1.855) 2.751 6.948 ( -0.046 2.509 0.642) 2.590 6.963 ( -0.117 2.500 -0.747) 2.612 7.158 ( 1.137 -0.354 1.812) 2.168 7.195 ( 1.248 -0.473 -1.524) 2.026 7.423 ( 3.001 -0.272 -0.068) 3.014 7.426 ( 2.531 -0.543 -0.422) 2.623 7.590 ( 2.169 -0.154 2.188) 3.085 7.641 ( 1.824 0.214 -2.433) 3.049 7.746 ( 0.168 0.212 1.058) 1.092 7.763 ( -0.254 0.205 -0.562) 0.650 8.009 ( -0.333 -0.538 1.118) 1.285 8.029 ( -1.109 0.377 -0.454) 1.256 8.045 ( -0.665 1.080 0.500) 1.363 8.074 ( -1.256 0.917 -2.261) 2.744 8.201 ( -0.596 0.740 2.764) 2.922 8.235 ( -1.281 0.477 -0.614) 1.499 8.380 ( -2.521 1.117 0.207) 2.765 8.394 ( -2.736 0.913 -1.083) 3.081 9.375 ( 1.560 0.023 -0.068) 1.562 9.378 ( 1.570 0.105 -0.334) 1.608 9.469 ( 0.866 0.035 0.101) 0.872 9.471 ( 0.821 0.118 -0.093) 0.835 9.707 ( 2.431 -0.271 0.670) 2.537 9.724 ( 2.064 -0.504 -0.828) 2.280 10.081 ( 0.559 -0.161 0.349) 0.679 10.084 ( 0.417 -0.337 0.028) 0.537 ======================= Grid point 189 (57/98) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 21.329 -0.000 6.618) 22.332 1.123 ( 15.396 -0.000 15.336) 21.731 1.200 ( 14.232 -0.000 -3.605) 14.681 1.370 ( 8.523 -0.000 -6.660) 10.817 1.600 ( 2.659 -0.000 -1.600) 3.103 1.638 ( 3.232 -0.000 -3.111) 4.486 1.855 ( 28.069 -0.000 9.634) 29.676 1.978 ( 11.400 -0.000 5.737) 12.762 2.048 ( 11.036 -0.000 -1.912) 11.200 2.093 ( 18.509 -0.000 -10.316) 21.190 2.190 ( 10.101 -0.000 -0.207) 10.103 2.231 ( 9.376 -0.000 -3.804) 10.119 2.335 ( 1.211 -0.000 6.639) 6.749 2.425 ( 4.459 -0.000 0.196) 4.463 2.495 ( 2.140 -0.000 -1.006) 2.365 2.530 ( 9.144 -0.000 -3.697) 9.863 2.557 ( -0.963 0.000 -1.294) 1.613 2.575 ( -0.637 0.000 -3.475) 3.533 2.729 ( 1.474 -0.000 1.082) 1.829 2.749 ( 1.670 -0.000 -0.465) 1.733 2.866 ( 3.801 -0.000 -0.149) 3.804 2.869 ( 3.682 -0.000 0.584) 3.728 2.934 ( 4.515 -0.000 1.000) 4.624 2.981 ( 3.157 -0.000 -0.140) 3.161 3.075 ( 9.316 -0.000 -1.569) 9.447 3.084 ( 10.289 -0.000 -3.587) 10.897 3.213 ( 6.329 -0.000 1.058) 6.417 3.216 ( 4.314 -0.000 0.456) 4.339 3.255 ( 5.016 -0.000 0.087) 5.017 3.285 ( 7.731 -0.000 -2.067) 8.002 3.438 ( 3.766 -0.000 12.348) 12.910 3.645 ( 2.367 -0.000 -7.481) 7.847 3.927 ( -1.617 0.000 3.314) 3.688 3.991 ( -1.737 0.000 -2.592) 3.120 4.269 ( -3.453 0.000 1.497) 3.763 4.303 ( -3.131 0.000 -1.586) 3.510 5.784 ( -1.426 0.000 8.153) 8.277 5.899 ( -5.136 0.000 -2.519) 5.720 6.354 ( 2.127 -0.000 2.345) 3.166 6.436 ( 1.405 -0.000 -5.144) 5.332 6.641 ( 8.527 -0.000 1.852) 8.726 6.664 ( 9.945 -0.000 -0.586) 9.962 6.847 ( 9.398 -0.000 4.910) 10.603 6.939 ( 4.555 -0.000 -1.000) 4.664 6.972 ( 2.325 -0.000 0.299) 2.344 7.035 ( 1.888 -0.000 -7.915) 8.137 7.299 ( 1.462 -0.000 1.180) 1.878 7.331 ( 1.292 -0.000 -1.836) 2.245 7.597 ( 1.873 -0.000 1.629) 2.482 7.640 ( 2.437 -0.000 -2.264) 3.326 8.087 ( -1.373 0.000 2.914) 3.222 8.108 ( -0.780 0.000 -0.236) 0.815 8.162 ( -2.978 0.000 4.093) 5.062 8.263 ( -4.044 0.000 -4.082) 5.746 8.570 ( 0.689 -0.000 3.183) 3.257 8.630 ( 5.316 -0.000 -2.085) 5.710 8.724 ( 7.490 -0.000 0.263) 7.494 8.739 ( 5.279 -0.000 -1.273) 5.431 8.899 ( -2.660 0.000 2.960) 3.980 8.937 ( -3.544 0.000 -1.034) 3.692 8.967 ( 6.526 -0.000 2.216) 6.892 9.045 ( 7.938 -0.000 -4.105) 8.936 9.234 ( 4.635 -0.000 0.237) 4.641 9.254 ( 4.132 -0.000 -2.097) 4.633 10.183 ( -5.978 0.000 6.825) 9.073 10.295 ( -7.743 0.000 -3.568) 8.526 ======================= Grid point 190 (58/98) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.911 -0.236 4.300) 9.897 1.441 ( 10.850 0.730 -1.110) 10.931 1.485 ( 15.055 -0.966 7.436) 16.819 1.529 ( 12.962 -0.171 2.643) 13.230 1.719 ( 10.031 -0.091 -3.756) 10.711 1.775 ( 9.436 -1.063 -6.014) 11.240 2.066 ( 6.490 1.053 4.096) 7.746 2.145 ( 4.034 0.993 -3.660) 5.536 2.282 ( 0.406 1.475 4.128) 4.402 2.331 ( 7.361 -0.794 2.044) 7.680 2.370 ( 5.306 2.107 -1.244) 5.843 2.433 ( 7.524 -0.560 -3.234) 8.209 2.473 ( 4.499 -0.303 1.745) 4.836 2.479 ( 4.080 -1.867 0.776) 4.553 2.531 ( -1.220 0.272 -2.320) 2.635 2.572 ( 1.108 0.951 -3.599) 3.884 2.654 ( 11.783 -0.424 2.532) 12.060 2.697 ( 4.848 -1.173 -0.786) 5.049 2.789 ( 3.504 1.873 1.188) 4.147 2.808 ( 3.818 -0.907 -0.612) 3.971 2.916 ( 6.556 0.622 0.951) 6.654 2.969 ( 4.007 -1.384 3.000) 5.194 2.990 ( 6.440 2.460 -5.759) 8.983 3.032 ( 4.238 -3.113 -3.335) 6.227 3.309 ( 11.667 1.679 0.066) 11.787 3.321 ( 8.316 1.775 -0.891) 8.550 3.337 ( 8.955 -1.108 1.276) 9.113 3.365 ( 12.394 -1.060 -1.854) 12.577 3.376 ( 5.863 -2.268 2.388) 6.724 3.419 ( 5.921 -1.151 -1.516) 6.220 3.557 ( 7.530 0.060 7.508) 10.633 3.696 ( 2.390 0.393 -5.367) 5.888 3.875 ( -2.954 0.511 3.459) 4.578 3.932 ( -3.822 0.411 -2.006) 4.336 4.207 ( -2.537 0.010 1.476) 2.935 4.242 ( -2.688 0.060 -1.679) 3.170 5.794 ( 2.030 0.221 3.071) 3.688 5.840 ( -0.550 0.291 -1.018) 1.194 6.409 ( 3.351 0.172 1.077) 3.524 6.448 ( 0.173 0.111 -2.362) 2.371 6.793 ( 7.243 0.256 2.739) 7.748 6.846 ( 8.000 0.297 -1.890) 8.225 6.999 ( 6.971 5.455 1.095) 8.919 7.026 ( 5.114 4.955 -1.141) 7.212 7.065 ( 5.774 -6.065 0.955) 8.429 7.099 ( 2.556 -4.694 -2.407) 5.862 7.354 ( 4.214 -0.157 0.037) 4.217 7.361 ( 2.124 0.017 -0.594) 2.205 7.647 ( 2.727 -0.519 2.150) 3.511 7.701 ( 3.055 -0.543 -2.722) 4.128 8.067 ( -0.908 -0.135 4.277) 4.375 8.100 ( -0.195 0.107 -0.196) 0.296 8.116 ( -1.513 0.155 1.173) 1.920 8.188 ( -3.397 0.112 -3.824) 5.116 8.511 ( -4.755 1.406 4.453) 6.665 8.610 ( -4.455 1.529 -4.620) 6.597 8.759 ( -4.572 2.260 3.054) 5.945 8.815 ( -5.074 2.418 -2.227) 6.046 8.947 ( 10.924 -0.536 0.772) 10.964 8.966 ( 10.115 -0.931 -0.972) 10.205 9.174 ( 11.752 -0.920 2.818) 12.121 9.237 ( 10.056 -0.124 -2.581) 10.382 9.322 ( 4.177 -0.176 0.141) 4.183 9.334 ( 3.837 -1.124 -1.166) 4.164 10.093 ( -3.282 0.050 3.480) 4.784 10.160 ( -5.486 0.339 -2.540) 6.055 ======================= Grid point 191 (59/98) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.216 0.301 2.497) 4.082 1.544 ( 3.489 -0.026 -2.042) 4.042 1.778 ( 13.352 -1.139 8.037) 15.626 1.846 ( 15.121 1.695 1.409) 15.281 1.948 ( 11.509 0.707 -2.464) 11.791 1.984 ( 10.199 -1.546 -4.104) 11.102 2.160 ( 3.337 2.568 1.598) 4.504 2.189 ( 0.543 1.958 -1.252) 2.386 2.268 ( -0.106 1.812 4.329) 4.694 2.359 ( -0.447 2.905 -3.814) 4.815 2.423 ( -0.282 -0.802 1.944) 2.122 2.486 ( -1.877 0.883 1.382) 2.493 2.514 ( 1.764 0.366 -2.212) 2.853 2.524 ( 0.840 -0.280 2.073) 2.254 2.543 ( 2.881 1.682 -2.626) 4.245 2.612 ( 1.935 -3.176 -4.358) 5.729 2.733 ( -0.250 0.065 2.486) 2.500 2.747 ( 0.906 -0.366 2.122) 2.337 2.784 ( -0.994 -0.342 -0.526) 1.176 2.814 ( -1.073 0.434 -1.808) 2.147 2.955 ( -1.224 0.821 0.143) 1.481 2.994 ( -0.973 1.901 -2.904) 3.605 3.272 ( 10.868 -1.385 1.664) 11.081 3.290 ( 14.089 -2.363 -0.163) 14.287 3.384 ( 0.346 0.402 0.146) 0.551 3.393 ( 0.101 0.123 -0.659) 0.678 3.566 ( 11.590 1.269 0.367) 11.665 3.569 ( 12.859 0.937 -0.051) 12.893 3.603 ( 10.308 -1.938 0.462) 10.498 3.641 ( 10.853 0.510 -3.020) 11.277 3.690 ( 4.955 -0.166 0.528) 4.986 3.696 ( -1.469 -0.826 -0.089) 1.688 3.861 ( 3.153 0.143 2.291) 3.900 3.880 ( 1.300 -1.402 0.326) 1.940 4.178 ( -0.488 -0.476 1.051) 1.252 4.204 ( -1.092 -0.174 -1.258) 1.675 5.843 ( 2.739 0.853 1.311) 3.154 5.868 ( 3.023 0.095 -0.875) 3.149 6.458 ( 1.112 -0.464 0.985) 1.556 6.480 ( 3.795 0.178 -0.998) 3.928 6.928 ( 6.531 1.406 1.570) 6.863 6.974 ( 5.517 1.879 -2.647) 6.401 7.087 ( 4.044 3.676 0.448) 5.484 7.092 ( 3.396 3.173 0.147) 4.650 7.190 ( 4.718 -3.033 0.328) 5.618 7.196 ( 4.794 -4.284 -0.196) 6.432 7.423 ( 4.052 -0.188 1.376) 4.283 7.463 ( 6.208 -0.037 -2.228) 6.595 7.701 ( 2.366 -0.281 2.471) 3.433 7.753 ( 1.801 -0.143 -2.227) 2.867 8.045 ( -1.348 -0.110 3.958) 4.183 8.094 ( -0.300 0.424 0.287) 0.593 8.101 ( -0.239 0.849 -0.704) 1.129 8.130 ( -2.212 -0.189 -3.199) 3.894 8.392 ( -5.883 2.056 4.281) 7.560 8.484 ( -6.727 2.411 -3.901) 8.142 8.635 ( -6.077 2.505 1.989) 6.868 8.675 ( -7.012 2.578 -1.641) 7.649 9.163 ( 9.491 -0.094 0.176) 9.493 9.170 ( 9.033 -0.626 -0.450) 9.065 9.380 ( 5.797 1.461 0.197) 5.982 9.384 ( 4.274 1.339 -0.146) 4.481 9.426 ( 8.421 -2.185 1.225) 8.785 9.458 ( 8.062 -2.699 -1.648) 8.660 10.053 ( -0.800 -0.314 1.432) 1.670 10.081 ( -2.326 0.006 -1.054) 2.554 ======================= Grid point 192 (60/98) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 1.768 0.251 3.033) 3.520 1.602 ( 2.300 -0.170 -2.539) 3.430 2.009 ( 9.209 0.201 5.413) 10.685 2.068 ( 7.954 2.649 -0.471) 8.396 2.109 ( 0.955 3.571 0.733) 3.769 2.143 ( 0.948 2.432 -1.022) 2.803 2.167 ( 3.545 2.455 0.728) 4.374 2.185 ( 5.584 -0.264 -1.265) 5.732 2.262 ( -0.679 -0.736 2.963) 3.127 2.324 ( -1.992 0.778 -2.443) 3.246 2.400 ( -1.771 -0.896 2.080) 2.875 2.440 ( -1.839 0.761 1.809) 2.690 2.502 ( -0.243 1.371 -0.606) 1.518 2.535 ( -1.498 -0.546 -3.818) 4.138 2.594 ( 3.211 2.062 1.675) 4.168 2.654 ( 1.007 -0.987 -2.660) 3.010 2.722 ( -0.059 -0.528 2.289) 2.350 2.765 ( 0.460 -2.465 1.004) 2.701 2.783 ( -0.263 -0.159 -2.779) 2.796 2.801 ( 0.238 -1.173 -1.956) 2.293 2.909 ( -2.516 1.025 -0.505) 2.763 2.942 ( -2.620 2.274 -2.900) 4.522 3.355 ( -2.306 -0.448 0.250) 2.362 3.362 ( -1.720 0.284 -0.428) 1.795 3.414 ( 4.807 -0.098 3.693) 6.063 3.481 ( 4.406 0.774 -2.520) 5.135 3.573 ( -4.055 1.185 1.762) 4.577 3.609 ( -4.397 1.464 -1.447) 4.855 3.731 ( 4.566 -0.764 1.280) 4.803 3.761 ( 3.905 -0.615 -1.468) 4.217 3.906 ( 12.235 -1.185 -0.524) 12.304 3.910 ( 12.108 -1.065 -0.999) 12.196 4.000 ( 8.328 -0.063 1.605) 8.482 4.004 ( 8.033 -0.163 1.461) 8.167 4.187 ( 0.763 -1.241 0.380) 1.505 4.198 ( 0.112 -0.849 -0.575) 1.032 5.881 ( 1.536 1.294 2.340) 3.083 5.936 ( 3.295 -0.007 -2.512) 4.143 6.502 ( 2.763 -1.277 2.490) 3.932 6.555 ( 3.686 -0.214 -2.179) 4.287 7.009 ( 2.091 3.958 0.516) 4.506 7.029 ( 1.223 3.906 -1.425) 4.334 7.115 ( 1.375 0.149 1.621) 2.131 7.140 ( 2.495 -0.524 -0.705) 2.645 7.315 ( 6.274 -0.939 0.094) 6.345 7.320 ( 5.804 -1.737 -0.358) 6.069 7.514 ( 4.588 -0.215 2.458) 5.210 7.577 ( 4.870 0.187 -3.316) 5.895 7.738 ( 1.250 0.148 2.032) 2.390 7.771 ( 0.127 0.136 -1.049) 1.066 8.020 ( -1.171 -0.082 2.438) 2.706 8.069 ( -1.766 0.865 -1.884) 2.724 8.083 ( -0.678 0.857 0.702) 1.299 8.114 ( -0.359 0.428 -2.155) 2.226 8.271 ( -4.630 1.680 3.785) 6.211 8.336 ( -6.374 1.939 -2.082) 6.980 8.500 ( -6.004 1.988 0.661) 6.359 8.521 ( -6.832 1.910 -1.174) 7.191 9.310 ( 5.255 0.042 0.056) 5.255 9.315 ( 5.201 0.008 -0.408) 5.217 9.440 ( 2.282 0.405 0.184) 2.325 9.445 ( 2.280 0.381 -0.196) 2.320 9.603 ( 7.131 -0.741 0.683) 7.202 9.621 ( 6.503 -1.448 -0.900) 6.723 10.059 ( 0.913 -0.531 0.376) 1.121 10.064 ( 0.254 -0.273 -0.016) 0.373 ======================= Grid point 193 (61/98) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.531 0.098 3.531) 3.572 1.635 ( 0.921 -0.067 -3.041) 3.178 2.029 ( -3.270 3.313 1.689) 4.952 2.068 ( -2.310 2.953 -1.759) 4.142 2.138 ( 3.190 0.742 2.477) 4.106 2.159 ( 0.424 0.887 0.379) 1.053 2.219 ( -0.023 -0.388 2.000) 2.037 2.251 ( -1.474 -0.457 -1.074) 1.880 2.288 ( 2.509 -0.500 0.590) 2.626 2.314 ( 2.516 -0.443 -1.300) 2.867 2.376 ( -0.403 -0.201 5.583) 5.602 2.404 ( -1.900 -0.295 4.024) 4.460 2.482 ( -1.976 -0.921 -0.802) 2.323 2.522 ( 0.536 0.046 -3.034) 3.081 2.628 ( 1.217 1.635 -0.949) 2.248 2.672 ( 0.678 -0.138 -2.563) 2.655 2.731 ( 0.273 -0.665 0.690) 0.997 2.775 ( -0.502 -0.206 -2.811) 2.862 2.786 ( 0.219 -1.568 0.178) 1.594 2.825 ( 1.268 -0.231 -2.271) 2.611 2.863 ( -1.142 0.820 -0.551) 1.510 2.884 ( -1.589 1.686 -2.525) 3.427 3.320 ( -1.076 -0.525 0.353) 1.249 3.331 ( -1.006 0.037 -0.631) 1.188 3.469 ( -0.332 0.860 0.775) 1.205 3.480 ( -1.151 1.070 0.084) 1.574 3.532 ( -1.114 -0.996 1.223) 1.931 3.550 ( 0.078 0.411 -0.239) 0.482 3.795 ( 1.926 -0.250 0.733) 2.075 3.810 ( 1.245 -0.146 -0.546) 1.367 4.061 ( 3.147 0.410 0.445) 3.205 4.074 ( 3.601 0.152 -0.854) 3.704 4.125 ( 3.409 0.077 1.083) 3.578 4.132 ( 3.602 -0.183 0.358) 3.624 4.219 ( 1.698 -0.944 -0.041) 1.943 4.219 ( 1.578 -0.973 -0.065) 1.855 5.889 ( -0.149 0.597 3.967) 4.015 5.983 ( 1.244 -0.040 -4.393) 4.566 6.566 ( 2.529 -0.889 2.677) 3.788 6.620 ( 2.265 -0.397 -2.091) 3.108 6.975 ( -2.520 2.185 0.568) 3.383 6.989 ( -2.641 2.016 -0.739) 3.404 7.152 ( 1.424 -0.602 1.804) 2.376 7.189 ( 1.671 -0.580 -1.496) 2.316 7.422 ( 3.578 0.229 -0.177) 3.589 7.423 ( 3.383 0.028 -0.274) 3.394 7.588 ( 2.266 -0.165 2.260) 3.205 7.642 ( 1.605 0.079 -2.720) 3.159 7.748 ( -0.050 0.143 1.150) 1.159 7.764 ( -0.501 -0.009 -0.444) 0.670 8.003 ( -0.526 -0.492 1.491) 1.656 8.033 ( -1.376 0.270 -0.994) 1.719 8.060 ( -1.017 1.406 0.417) 1.785 8.085 ( -1.747 0.887 -2.048) 2.835 8.209 ( -1.352 0.734 2.559) 2.986 8.238 ( -2.225 0.066 -0.360) 2.255 8.390 ( -3.761 0.682 0.101) 3.824 8.402 ( -3.844 0.520 -1.007) 4.007 9.375 ( 1.535 0.033 -0.020) 1.536 9.379 ( 1.495 0.115 -0.374) 1.545 9.470 ( 0.799 0.086 0.132) 0.814 9.473 ( 0.694 0.108 -0.118) 0.712 9.705 ( 2.771 -0.152 0.508) 2.821 9.718 ( 2.615 -0.522 -0.684) 2.753 10.079 ( 0.735 -0.151 0.272) 0.798 10.081 ( 0.755 -0.259 0.103) 0.805 ======================= Grid point 194 (62/98) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -0.778 -0.104 3.728) 3.810 1.637 ( -0.711 0.106 -3.252) 3.331 1.979 ( -0.775 -0.789 1.869) 2.172 2.022 ( -1.500 -0.947 -2.028) 2.694 2.110 ( -4.276 -1.599 1.434) 4.786 2.124 ( -4.182 -2.100 -0.223) 4.685 2.218 ( -1.624 -0.171 3.694) 4.039 2.252 ( 0.658 -0.399 -0.110) 0.777 2.296 ( -1.633 0.067 0.490) 1.707 2.318 ( -0.997 -0.111 -1.057) 1.457 2.369 ( -0.962 -0.684 4.596) 4.745 2.415 ( 2.134 0.560 3.651) 4.266 2.449 ( -1.744 -2.680 -0.288) 3.211 2.535 ( 0.737 0.390 -1.077) 1.362 2.624 ( -0.714 1.504 -2.553) 3.048 2.681 ( 0.343 0.668 -3.032) 3.123 2.732 ( -0.525 -0.684 0.883) 1.234 2.768 ( -0.460 -0.490 -1.842) 1.961 2.805 ( 1.325 -1.614 -1.285) 2.452 2.843 ( 0.816 -0.176 -4.063) 4.148 2.852 ( 0.119 1.189 0.040) 1.195 2.869 ( 0.631 1.774 -1.353) 2.319 3.325 ( 1.302 -0.100 -0.038) 1.306 3.328 ( 0.710 -0.172 -0.329) 0.801 3.450 ( -1.645 -0.969 0.614) 2.005 3.455 ( 0.084 -1.044 -0.001) 1.047 3.535 ( -0.658 -0.467 1.526) 1.726 3.549 ( 0.514 0.391 0.192) 0.674 3.811 ( -0.347 0.982 0.420) 1.123 3.818 ( -0.199 0.596 -0.293) 0.693 4.050 ( -3.879 -0.504 0.908) 4.016 4.070 ( -3.538 -0.181 -1.044) 3.693 4.123 ( -3.387 -0.072 1.149) 3.578 4.135 ( -3.111 0.015 -0.041) 3.112 4.243 ( 0.197 0.987 -0.023) 1.007 4.243 ( 0.182 0.991 -0.092) 1.012 5.872 ( -1.455 -0.763 4.738) 5.015 5.982 ( -1.293 -0.074 -5.037) 5.201 6.590 ( -0.539 1.022 2.005) 2.314 6.630 ( -1.569 0.431 -1.586) 2.272 6.920 ( -2.496 -2.294 0.622) 3.446 6.935 ( -2.438 -2.415 -0.699) 3.503 7.160 ( -0.880 0.069 1.900) 2.095 7.200 ( -0.810 0.311 -1.617) 1.835 7.429 ( -2.606 0.811 0.034) 2.730 7.435 ( -1.918 0.980 -0.562) 2.226 7.591 ( -2.043 0.016 2.123) 2.947 7.637 ( -2.121 -0.393 -2.052) 2.977 7.744 ( -0.275 -0.163 0.829) 0.888 7.760 ( 0.014 -0.382 -0.623) 0.731 8.011 ( 0.812 -0.348 1.163) 1.461 8.025 ( 0.813 -0.141 -0.011) 0.825 8.039 ( -0.173 0.135 0.047) 0.225 8.066 ( 0.407 -0.544 -2.372) 2.468 8.193 ( -0.242 -0.716 2.826) 2.925 8.228 ( 0.425 -0.834 -0.560) 1.091 8.365 ( 1.231 -1.358 0.309) 1.859 8.382 ( 1.638 -1.124 -1.213) 2.328 9.375 ( -1.558 -0.021 -0.101) 1.562 9.377 ( -1.663 -0.059 -0.304) 1.692 9.469 ( -0.891 0.014 0.056) 0.893 9.470 ( -0.944 -0.081 -0.045) 0.949 9.711 ( -2.100 0.304 0.752) 2.251 9.729 ( -1.551 0.393 -0.907) 1.840 10.082 ( -0.358 0.151 0.440) 0.587 10.088 ( -0.098 0.322 -0.060) 0.342 ======================= Grid point 195 (63/98) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.022 -0.332 3.578) 4.123 1.606 ( -2.249 0.213 -3.048) 3.794 1.976 ( -6.906 -3.459 1.028) 7.792 1.990 ( -3.925 -3.988 -0.003) 5.595 2.024 ( -2.422 -2.311 3.061) 4.536 2.066 ( -0.976 -3.544 -1.202) 3.867 2.126 ( -7.121 -1.146 3.125) 7.861 2.196 ( -6.192 0.213 -2.266) 6.597 2.271 ( -2.115 0.411 2.097) 3.007 2.292 ( -1.461 -1.527 0.464) 2.164 2.395 ( 2.041 -2.124 0.955) 3.097 2.416 ( -0.268 -1.822 -0.791) 2.004 2.468 ( 1.166 0.161 2.642) 2.892 2.551 ( 1.172 0.556 0.773) 1.510 2.588 ( -1.872 1.704 -2.139) 3.314 2.681 ( 0.351 1.231 -3.205) 3.451 2.723 ( -0.683 -0.538 1.838) 2.034 2.758 ( -1.101 -1.122 -1.359) 2.078 2.831 ( -0.379 1.583 0.613) 1.739 2.860 ( 0.140 1.615 -2.192) 2.726 2.864 ( 1.658 -2.435 -1.996) 3.558 2.885 ( 2.283 -0.719 -3.933) 4.604 3.350 ( 1.018 -0.393 0.469) 1.188 3.363 ( 1.842 0.189 -0.493) 1.917 3.418 ( -2.003 -0.002 2.573) 3.261 3.463 ( -1.636 -1.062 -1.615) 2.532 3.530 ( 0.320 -2.512 1.939) 3.189 3.559 ( -0.182 -1.883 -0.604) 1.986 3.770 ( -2.973 2.130 0.648) 3.714 3.785 ( -3.050 1.345 -0.804) 3.429 3.915 ( -10.045 -0.425 0.782) 10.084 3.934 ( -10.061 0.827 -1.090) 10.153 4.006 ( -7.566 0.484 1.675) 7.764 4.025 ( -6.641 1.358 -0.054) 6.779 4.222 ( -1.130 1.589 0.033) 1.950 4.225 ( -0.834 1.356 -0.225) 1.608 5.844 ( -2.033 -1.724 4.153) 4.935 5.936 ( -3.278 0.000 -3.944) 5.129 6.539 ( -3.158 1.706 0.903) 3.701 6.562 ( -4.461 0.323 -1.066) 4.598 6.896 ( -2.755 -5.283 0.636) 5.992 6.915 ( -2.356 -5.271 -1.140) 5.885 7.120 ( -2.829 0.342 1.936) 3.445 7.156 ( -3.183 0.838 -1.263) 3.525 7.337 ( -5.238 0.986 0.826) 5.394 7.360 ( -4.107 1.536 -1.295) 4.572 7.521 ( -4.400 0.262 2.229) 4.939 7.569 ( -4.838 -0.600 -2.011) 5.274 7.737 ( -0.616 0.104 1.209) 1.361 7.764 ( -0.021 -0.429 -1.193) 1.268 8.024 ( 1.000 0.329 1.474) 1.811 8.050 ( 1.293 -0.444 -0.915) 1.646 8.058 ( 1.119 -1.061 0.985) 1.830 8.096 ( 1.239 -1.087 -2.206) 2.754 8.221 ( 2.601 -2.490 3.348) 4.916 8.278 ( 3.742 -2.919 -1.738) 5.054 8.435 ( 3.873 -3.371 0.818) 5.200 8.461 ( 4.516 -3.066 -1.415) 5.639 9.309 ( -5.126 0.016 0.060) 5.126 9.315 ( -4.656 0.051 -0.485) 4.682 9.433 ( -2.785 -0.160 0.127) 2.793 9.436 ( -2.638 -0.280 -0.135) 2.657 9.625 ( -5.971 0.980 1.256) 6.180 9.655 ( -5.315 1.304 -1.392) 5.647 10.071 ( -0.375 0.365 0.385) 0.649 10.075 ( -0.625 0.724 -0.007) 0.957 ======================= Grid point 196 (64/98) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -3.232 -0.500 3.114) 4.516 1.546 ( -3.871 0.143 -2.463) 4.590 1.788 ( -13.298 -2.609 3.025) 13.885 1.819 ( -10.671 1.849 3.700) 11.445 1.936 ( -9.815 -0.021 -0.120) 9.816 2.029 ( -8.256 1.893 -3.976) 9.358 2.073 ( -1.964 -4.547 1.630) 5.214 2.112 ( 1.641 -4.817 -1.208) 5.231 2.214 ( -3.520 -2.137 2.936) 5.057 2.260 ( -2.939 -4.176 -1.712) 5.386 2.432 ( 0.619 -1.833 1.300) 2.331 2.457 ( 0.401 -3.151 0.093) 3.178 2.463 ( -0.101 0.313 0.569) 0.657 2.530 ( -3.219 0.981 -4.015) 5.239 2.572 ( 1.211 2.030 4.558) 5.134 2.677 ( -0.597 2.466 -3.774) 4.548 2.720 ( 0.436 -1.032 1.496) 1.869 2.734 ( -2.529 -2.280 -0.146) 3.408 2.801 ( -1.636 1.435 1.322) 2.546 2.834 ( -0.909 2.218 -1.237) 2.697 2.913 ( 0.391 -4.696 -2.450) 5.311 2.932 ( 1.157 -0.935 -4.088) 4.350 3.312 ( -6.626 1.056 2.980) 7.342 3.353 ( -6.474 0.847 -0.970) 6.601 3.376 ( -3.368 0.998 0.722) 3.586 3.398 ( -1.599 1.201 -1.344) 2.410 3.508 ( -7.007 -3.090 0.948) 7.716 3.528 ( -5.444 -2.512 -0.649) 6.030 3.658 ( -10.578 1.981 -0.025) 10.761 3.664 ( -7.884 2.869 -0.155) 8.391 3.694 ( -8.335 0.412 1.098) 8.417 3.722 ( -5.634 1.117 -1.681) 5.985 3.867 ( -4.548 0.446 3.427) 5.712 3.915 ( -2.435 1.486 -1.210) 3.099 4.196 ( -0.405 0.982 0.583) 1.212 4.211 ( 0.286 0.450 -0.799) 0.960 5.812 ( -2.075 -1.612 2.641) 3.725 5.865 ( -3.418 -0.105 -1.995) 3.959 6.471 ( -4.351 -0.614 -0.131) 4.396 6.471 ( -2.844 0.357 -0.133) 2.870 6.851 ( -4.766 -4.808 0.969) 6.838 6.883 ( -3.918 -4.964 -1.913) 6.607 7.047 ( -4.652 -0.112 1.120) 4.786 7.066 ( -5.526 0.504 -0.595) 5.581 7.238 ( -3.577 1.237 1.496) 4.070 7.274 ( -3.379 2.414 -1.664) 4.474 7.432 ( -4.099 0.463 1.528) 4.399 7.464 ( -5.504 0.009 -1.336) 5.664 7.715 ( -1.233 0.999 1.692) 2.320 7.758 ( -0.753 0.278 -2.034) 2.187 8.051 ( 1.681 0.400 3.216) 3.651 8.078 ( 0.613 -0.725 0.271) 0.987 8.081 ( 1.046 -0.743 -0.196) 1.298 8.125 ( 1.762 -0.655 -2.898) 3.455 8.317 ( 4.630 -4.078 3.726) 7.208 8.395 ( 5.368 -4.825 -3.132) 7.868 8.540 ( 4.004 -5.216 1.668) 6.784 8.579 ( 4.759 -5.161 -1.797) 7.247 9.171 ( -8.588 0.488 0.555) 8.620 9.189 ( -7.751 0.900 -1.053) 7.874 9.357 ( -5.370 -0.502 0.373) 5.406 9.365 ( -4.921 -0.444 -0.346) 4.953 9.476 ( -7.494 2.037 1.828) 7.978 9.519 ( -6.843 2.219 -1.940) 7.451 10.064 ( 0.361 0.593 0.899) 1.136 10.080 ( 1.535 -0.042 -0.537) 1.626 ======================= Grid point 197 (65/98) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -6.754 0.258 2.598) 7.241 1.433 ( -8.991 0.668 -0.077) 9.016 1.497 ( -14.536 0.515 6.262) 15.836 1.580 ( -10.887 4.381 1.568) 11.840 1.732 ( -9.035 1.413 -2.035) 9.368 1.836 ( -8.601 3.818 -6.223) 11.282 2.023 ( -5.090 -1.495 5.600) 7.713 2.117 ( -3.422 -0.945 -3.236) 4.804 2.195 ( -0.464 -5.766 2.403) 6.264 2.243 ( -2.624 -6.662 -1.897) 7.408 2.375 ( -5.370 -0.027 1.929) 5.706 2.426 ( -7.184 -0.679 -1.662) 7.405 2.462 ( -1.716 -2.190 1.820) 3.324 2.504 ( 0.681 -1.844 -1.641) 2.561 2.552 ( -3.684 3.349 0.511) 5.005 2.599 ( -5.773 3.816 -4.402) 8.202 2.651 ( -7.079 -0.968 4.487) 8.437 2.733 ( -1.184 0.950 -1.490) 2.127 2.761 ( -0.765 0.071 2.407) 2.526 2.808 ( -2.040 -0.249 -1.517) 2.555 2.896 ( -5.825 -0.558 -2.053) 6.201 2.917 ( -2.790 -3.672 -3.450) 5.759 3.051 ( -11.633 5.466 4.175) 13.514 3.144 ( -9.456 6.174 -4.918) 12.317 3.248 ( -10.784 -2.804 0.374) 11.149 3.263 ( -10.296 -2.964 -0.941) 10.755 3.382 ( -8.184 2.530 1.098) 8.636 3.408 ( -7.629 2.288 -1.830) 8.172 3.452 ( -6.505 3.480 1.239) 7.481 3.475 ( -3.877 3.045 -0.024) 4.929 3.554 ( -7.422 -0.168 5.916) 9.493 3.672 ( -2.500 -1.734 -4.494) 5.427 3.844 ( 0.793 -2.067 3.909) 4.493 3.909 ( 0.907 -1.458 -2.258) 2.837 4.206 ( 1.825 -0.046 1.317) 2.251 4.238 ( 2.374 -0.303 -1.506) 2.827 5.782 ( -1.462 -0.750 2.545) 3.029 5.823 ( -0.612 -1.016 -1.121) 1.632 6.396 ( -3.436 -1.044 1.462) 3.877 6.436 ( -1.124 -1.107 -1.974) 2.527 6.765 ( -5.754 -2.411 2.082) 6.577 6.812 ( -5.759 -2.790 -1.804) 6.649 6.926 ( -8.348 -0.716 0.177) 8.381 6.935 ( -7.475 -1.827 -0.594) 7.718 7.185 ( -1.622 3.230 -0.023) 3.614 7.196 ( -1.712 4.136 -0.713) 4.533 7.362 ( -2.651 0.265 0.142) 2.668 7.366 ( -3.731 0.915 -0.111) 3.843 7.679 ( -1.352 2.230 1.952) 3.257 7.731 ( -1.256 1.882 -2.672) 3.501 8.073 ( 0.775 0.236 3.229) 3.329 8.095 ( 0.460 -0.149 -0.074) 0.489 8.109 ( 2.182 -0.298 1.510) 2.670 8.179 ( 3.181 -0.683 -3.449) 4.741 8.432 ( 4.137 -4.780 4.229) 7.605 8.525 ( 4.253 -5.285 -4.026) 7.888 8.642 ( 2.477 -6.873 2.452) 7.706 8.693 ( 2.802 -6.982 -2.294) 7.865 8.975 ( -10.054 1.531 1.307) 10.254 9.010 ( -8.702 2.347 -1.930) 9.217 9.209 ( -8.766 1.415 1.965) 9.094 9.243 ( -7.190 0.321 -1.096) 7.280 9.340 ( -5.214 1.303 1.335) 5.538 9.381 ( -5.459 2.261 -2.348) 6.358 10.090 ( 2.430 -0.158 2.598) 3.561 10.140 ( 4.179 -1.238 -1.895) 4.753 ======================= Grid point 198 (66/98) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -17.639 4.579 7.490) 19.703 1.182 ( -12.941 4.658 9.440) 16.682 1.267 ( -10.850 5.975 -1.623) 12.492 1.389 ( -7.175 1.372 -5.991) 9.447 1.601 ( -3.870 0.732 -0.646) 3.991 1.674 ( -4.934 3.378 -4.799) 7.667 1.911 ( -7.532 -1.274 6.452) 9.999 1.976 ( -16.231 6.566 1.757) 17.596 2.072 ( -15.945 0.887 1.555) 16.045 2.154 ( -12.426 0.422 -2.413) 12.665 2.211 ( -7.751 3.175 2.703) 8.801 2.266 ( -2.729 -3.409 3.473) 5.580 2.319 ( -7.680 4.034 -4.055) 9.576 2.399 ( -4.063 -0.316 -7.988) 8.967 2.481 ( -4.673 -2.075 2.090) 5.524 2.548 ( -0.231 -0.129 -2.279) 2.294 2.550 ( -2.669 2.444 1.493) 3.915 2.609 ( -7.634 3.088 -3.947) 9.132 2.728 ( -2.493 -0.180 1.968) 3.181 2.760 ( -0.350 0.772 -1.428) 1.661 2.832 ( -2.755 -2.446 0.090) 3.685 2.850 ( -4.128 -1.093 -1.183) 4.431 2.920 ( -3.874 -1.298 1.912) 4.511 2.980 ( -5.977 0.577 -1.484) 6.186 3.065 ( -8.913 -0.827 -0.254) 8.955 3.087 ( -6.602 -0.645 -2.256) 7.006 3.192 ( -8.654 0.022 0.544) 8.671 3.218 ( -7.869 1.660 -1.876) 8.258 3.311 ( -7.038 4.195 3.196) 8.795 3.378 ( -5.158 4.424 -2.525) 7.250 3.458 ( -1.482 1.549 10.241) 10.463 3.639 ( -1.306 -0.732 -6.720) 6.884 3.881 ( 0.789 -3.746 3.369) 5.100 3.943 ( 0.733 -3.849 -2.394) 4.592 4.261 ( 3.129 -0.730 1.579) 3.580 4.297 ( 3.057 -0.495 -1.721) 3.543 5.775 ( 0.886 -0.562 6.130) 6.219 5.862 ( 3.413 -2.872 -1.832) 4.822 6.348 ( -1.858 -0.675 2.503) 3.189 6.427 ( -0.842 -1.116 -4.560) 4.770 6.648 ( -7.068 0.321 1.993) 7.351 6.672 ( -8.837 0.340 -0.359) 8.851 6.742 ( -10.383 -3.305 1.795) 11.043 6.792 ( -9.149 -5.999 -2.198) 11.159 7.112 ( -1.044 8.084 2.268) 8.461 7.186 ( 2.104 5.891 -4.395) 7.645 7.306 ( -1.634 0.852 0.755) 1.992 7.332 ( -0.415 0.096 -1.851) 1.899 7.642 ( -0.683 3.557 1.867) 4.074 7.692 ( -0.743 4.013 -2.766) 4.930 8.091 ( 1.281 0.100 2.076) 2.441 8.107 ( 0.845 0.019 -0.150) 0.858 8.163 ( 3.166 0.142 4.059) 5.150 8.254 ( 3.799 -0.794 -3.603) 5.295 8.511 ( 0.094 -4.292 3.772) 5.715 8.579 ( -2.733 -3.656 -2.250) 5.090 8.689 ( -2.545 -5.836 1.128) 6.466 8.725 ( -4.564 -2.709 -2.041) 5.686 8.819 ( -2.556 -3.284 1.579) 4.451 8.865 ( -3.609 0.763 -2.632) 4.531 9.048 ( -4.801 3.235 2.990) 6.516 9.105 ( -4.895 2.230 -2.111) 5.778 9.239 ( -4.711 0.345 0.830) 4.796 9.273 ( -4.610 1.482 -2.458) 5.430 10.162 ( 4.439 -1.514 5.480) 7.213 10.257 ( 6.221 -2.961 -3.175) 7.586 ======================= Grid point 199 (67/98) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -13.484 9.516 13.168) 21.113 0.880 ( -14.225 7.503 16.254) 22.865 1.031 ( -7.556 8.557 -10.482) 15.498 1.182 ( -13.111 6.195 -11.157) 18.296 1.346 ( -24.379 17.725 15.164) 33.741 1.536 ( -4.721 -4.253 -1.039) 6.439 1.651 ( 1.098 1.854 2.874) 3.592 1.774 ( -6.867 6.989 -4.457) 10.764 1.828 ( -3.892 -0.520 6.175) 7.318 1.976 ( -7.339 1.137 -5.702) 9.363 2.066 ( -5.352 7.858 -4.676) 10.595 2.115 ( -4.994 3.768 -4.575) 7.750 2.278 ( -5.443 -0.787 1.856) 5.804 2.307 ( -4.261 -1.220 0.950) 4.533 2.349 ( -5.570 -0.706 3.050) 6.390 2.479 ( 1.027 -3.086 -6.389) 7.169 2.573 ( 1.217 -1.299 -0.406) 1.826 2.585 ( 1.601 -0.548 -1.718) 2.411 2.708 ( -0.216 -0.045 1.858) 1.871 2.732 ( -3.423 -0.118 -0.927) 3.548 2.758 ( -3.770 0.493 -0.856) 3.897 2.762 ( -4.936 -0.306 -1.216) 5.093 2.830 ( -5.512 -1.634 2.508) 6.272 2.885 ( -4.859 -2.383 -2.585) 5.997 2.943 ( -2.173 2.888 2.130) 4.195 2.985 ( -2.992 -0.632 -1.575) 3.439 3.065 ( -6.409 -1.385 0.787) 6.604 3.101 ( -4.816 0.720 -2.029) 5.275 3.176 ( -2.687 0.464 4.298) 5.090 3.270 ( -2.076 4.515 -3.873) 6.301 3.436 ( 0.124 3.163 10.208) 10.687 3.623 ( -0.375 0.966 -7.071) 7.147 3.911 ( 0.193 -3.636 3.133) 4.803 3.977 ( 0.508 -3.730 -2.993) 4.809 4.326 ( 2.617 -0.927 1.451) 3.133 4.355 ( 2.319 -0.459 -1.220) 2.661 5.856 ( 7.591 -3.393 12.187) 14.753 5.982 ( 5.954 -5.217 -1.421) 8.043 6.327 ( -0.695 0.160 2.323) 2.430 6.384 ( -4.949 1.362 -2.265) 5.611 6.485 ( -6.305 1.188 0.066) 6.416 6.495 ( -7.494 1.381 -0.682) 7.651 6.590 ( -9.928 -8.321 0.523) 12.965 6.631 ( -9.757 -8.340 -1.880) 12.973 7.056 ( 0.363 10.247 4.387) 11.152 7.195 ( 2.458 8.236 -7.904) 11.677 7.287 ( -0.187 0.458 0.950) 1.071 7.337 ( 1.428 3.482 -5.338) 6.531 7.613 ( 0.133 4.669 1.819) 5.012 7.664 ( 0.586 5.668 -2.811) 6.354 8.129 ( 2.491 -0.168 0.792) 2.619 8.135 ( 2.238 0.209 0.156) 2.253 8.236 ( 4.647 0.024 6.556) 8.036 8.334 ( 3.371 -1.246 -2.916) 4.629 8.456 ( -5.802 -1.259 1.401) 6.100 8.480 ( -5.689 -0.003 -0.692) 5.731 8.595 ( -7.787 -2.074 0.132) 8.060 8.630 ( -5.765 0.335 -2.978) 6.497 8.826 ( -0.375 -6.188 2.120) 6.552 8.878 ( 2.200 -4.203 -1.803) 5.075 8.999 ( 0.629 1.759 2.544) 3.157 9.046 ( -0.817 1.194 -1.832) 2.335 9.147 ( -4.415 -0.043 0.741) 4.477 9.179 ( -3.703 2.126 -2.454) 4.925 10.290 ( 6.890 -5.153 9.083) 12.511 10.406 ( 5.952 -4.773 -2.822) 8.134 ======================= Grid point 200 (68/98) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 11.852 18.803) 22.227 0.566 ( 0.000 14.533 18.582) 23.590 0.923 ( 0.000 5.920 -16.393) 17.429 0.924 ( 0.000 10.737 -12.407) 16.408 0.987 ( 0.000 16.153 31.811) 35.677 1.517 ( -0.000 -5.761 -10.586) 12.053 1.689 ( 0.000 1.925 9.441) 9.635 1.696 ( 0.000 0.463 1.748) 1.808 1.801 ( 0.000 1.655 -7.072) 7.263 1.867 ( 0.000 0.758 -7.168) 7.208 1.950 ( 0.000 8.720 0.434) 8.731 2.069 ( 0.000 1.323 -6.303) 6.441 2.192 ( 0.000 0.064 2.451) 2.452 2.234 ( -0.000 -0.563 -1.414) 1.522 2.352 ( -0.000 -1.928 7.855) 8.088 2.524 ( -0.000 -2.731 -7.289) 7.784 2.600 ( -0.000 -0.967 -0.373) 1.037 2.613 ( -0.000 -0.524 -1.836) 1.909 2.657 ( -0.000 -0.400 1.360) 1.418 2.688 ( -0.000 -0.622 -1.364) 1.499 2.721 ( 0.000 0.137 0.264) 0.297 2.727 ( 0.000 0.322 -0.294) 0.436 2.775 ( -0.000 -3.154 3.075) 4.405 2.840 ( -0.000 -1.194 -3.830) 4.012 2.934 ( 0.000 5.210 5.220) 7.375 2.957 ( -0.000 -0.361 0.285) 0.460 2.962 ( -0.000 -0.541 -0.209) 0.580 3.034 ( 0.000 1.719 -3.278) 3.702 3.171 ( -0.000 -1.993 2.427) 3.140 3.239 ( 0.000 2.983 -3.847) 4.868 3.420 ( 0.000 3.175 10.673) 11.136 3.613 ( 0.000 1.125 -7.022) 7.111 3.931 ( -0.000 -2.682 3.097) 4.097 4.000 ( -0.000 -2.137 -3.500) 4.101 4.360 ( -0.000 -0.733 1.386) 1.568 4.385 ( -0.000 -0.391 -0.812) 0.901 6.105 ( -0.000 -6.400 2.750) 6.966 6.138 ( -0.000 -16.276 3.500) 16.648 6.270 ( 0.000 2.244 0.313) 2.266 6.277 ( 0.000 2.198 -0.322) 2.221 6.401 ( -0.000 -9.605 12.245) 15.562 6.419 ( 0.000 1.585 0.054) 1.586 6.420 ( 0.000 1.609 -0.045) 1.610 6.595 ( -0.000 -7.160 -5.920) 9.290 7.004 ( 0.000 9.774 4.935) 10.949 7.169 ( 0.000 13.206 -11.614) 17.587 7.284 ( 0.000 0.563 0.462) 0.728 7.320 ( 0.000 7.655 -5.053) 9.172 7.591 ( 0.000 3.669 1.932) 4.147 7.641 ( 0.000 5.124 -2.470) 5.689 8.164 ( -0.000 -0.247 0.482) 0.541 8.174 ( 0.000 0.186 -0.458) 0.494 8.352 ( -0.000 -1.168 0.318) 1.210 8.359 ( -0.000 -1.154 -0.369) 1.212 8.417 ( 0.000 0.421 0.448) 0.615 8.426 ( 0.000 0.497 -0.416) 0.648 8.427 ( -0.000 -1.325 5.229) 5.395 8.535 ( 0.000 1.551 -5.370) 5.590 8.876 ( -0.000 -6.663 4.075) 7.810 8.938 ( -0.000 -5.071 -1.074) 5.183 9.012 ( 0.000 0.016 0.738) 0.739 9.029 ( 0.000 0.040 -0.719) 0.720 9.081 ( 0.000 0.690 1.870) 1.994 9.120 ( 0.000 4.463 -2.130) 4.945 10.452 ( -0.000 -11.631 6.124) 13.145 10.504 ( -0.000 -4.764 -0.822) 4.835 ======================= Grid point 203 (69/98) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 3.221 -0.000 2.398) 4.016 1.544 ( 3.361 -0.000 -1.994) 3.908 1.772 ( 13.792 -0.000 8.472) 16.186 1.856 ( 15.201 -0.000 1.047) 15.238 1.953 ( 11.972 -0.000 -2.557) 12.242 1.974 ( 10.171 -0.000 -4.014) 10.934 2.175 ( 3.618 -0.000 1.466) 3.904 2.201 ( 0.910 -0.000 -1.193) 1.501 2.279 ( -0.875 0.000 4.563) 4.646 2.375 ( -1.127 0.000 -4.044) 4.198 2.418 ( -0.429 0.000 2.325) 2.364 2.491 ( -1.906 0.000 1.531) 2.445 2.516 ( -0.341 0.000 -3.094) 3.113 2.518 ( 3.968 -0.000 2.349) 4.611 2.568 ( 5.314 -0.000 -3.017) 6.111 2.582 ( -0.194 0.000 -4.217) 4.221 2.733 ( 0.262 -0.000 2.149) 2.164 2.746 ( 0.379 -0.000 2.844) 2.870 2.782 ( -2.076 0.000 -0.705) 2.193 2.817 ( -1.226 0.000 -2.045) 2.385 2.960 ( -1.364 0.000 0.740) 1.552 3.004 ( -1.081 0.000 -2.895) 3.090 3.265 ( 10.458 -0.000 1.337) 10.543 3.276 ( 16.208 -0.000 0.085) 16.209 3.386 ( 0.274 -0.000 0.099) 0.291 3.394 ( 0.087 -0.000 -0.551) 0.558 3.570 ( 14.067 -0.000 -0.010) 14.067 3.579 ( 11.788 -0.000 -0.663) 11.806 3.590 ( 11.890 -0.000 1.503) 11.985 3.646 ( 11.973 -0.000 -3.932) 12.602 3.689 ( 3.431 -0.000 0.744) 3.510 3.691 ( -3.598 0.000 0.312) 3.611 3.865 ( 3.662 -0.000 1.812) 4.086 3.869 ( 0.479 -0.000 0.867) 0.991 4.175 ( -0.637 0.000 1.132) 1.298 4.203 ( -1.207 0.000 -1.333) 1.798 5.848 ( 2.852 -0.000 1.095) 3.055 5.868 ( 2.956 -0.000 -0.706) 3.039 6.455 ( 0.897 -0.000 1.178) 1.480 6.481 ( 3.711 -0.000 -1.135) 3.881 6.935 ( 6.748 -0.000 1.689) 6.957 6.984 ( 5.790 -0.000 -2.713) 6.394 7.120 ( 1.279 -0.000 0.435) 1.351 7.123 ( 2.124 -0.000 0.021) 2.124 7.157 ( 6.883 -0.000 0.429) 6.896 7.164 ( 6.639 -0.000 -0.205) 6.642 7.422 ( 4.038 -0.000 1.364) 4.262 7.463 ( 6.295 -0.000 -2.338) 6.715 7.700 ( 2.527 -0.000 2.554) 3.593 7.752 ( 1.951 -0.000 -2.237) 2.968 8.044 ( -1.294 0.000 4.095) 4.295 8.096 ( -0.317 0.000 0.283) 0.425 8.107 ( 0.334 -0.000 -0.674) 0.752 8.128 ( -2.657 0.000 -3.364) 4.287 8.404 ( -6.096 0.000 4.368) 7.500 8.497 ( -6.946 0.000 -4.018) 8.025 8.649 ( -6.470 0.000 2.052) 6.787 8.690 ( -7.434 0.000 -1.631) 7.611 9.163 ( 9.771 -0.000 0.003) 9.771 9.166 ( 9.144 -0.000 -0.222) 9.147 9.394 ( 4.092 -0.000 0.095) 4.094 9.395 ( 3.043 -0.000 0.000) 3.043 9.408 ( 10.351 -0.000 1.065) 10.405 9.439 ( 9.487 -0.000 -1.598) 9.621 10.051 ( -0.871 0.000 1.515) 1.747 10.081 ( -2.448 0.000 -1.134) 2.698 ======================= Grid point 204 (70/98) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 1.686 0.094 2.880) 3.338 1.600 ( 2.329 -0.064 -2.397) 3.343 2.010 ( 9.725 0.011 6.198) 11.533 2.089 ( 8.162 0.961 -0.948) 8.273 2.139 ( 3.756 1.642 -0.065) 4.100 2.155 ( 5.631 -0.119 -1.275) 5.774 2.186 ( 1.845 0.673 0.491) 2.025 2.196 ( 0.307 1.721 -0.284) 1.771 2.251 ( -2.121 -0.901 3.378) 4.089 2.328 ( -3.243 0.086 -3.401) 4.701 2.393 ( -1.480 -0.320 2.556) 2.971 2.445 ( -2.374 0.134 1.628) 2.881 2.510 ( 0.098 0.218 -2.523) 2.534 2.533 ( -2.779 0.065 -1.976) 3.410 2.616 ( 3.659 1.256 1.190) 4.048 2.645 ( 1.951 -0.391 -1.514) 2.500 2.719 ( -0.552 0.069 1.431) 1.535 2.737 ( 0.210 -1.874 0.690) 2.008 2.786 ( 0.995 0.174 -1.775) 2.043 2.794 ( -0.544 -0.245 -2.722) 2.786 2.917 ( -2.591 0.366 0.339) 2.639 2.959 ( -2.889 0.782 -3.015) 4.249 3.351 ( -2.366 -0.249 0.461) 2.423 3.364 ( -1.806 0.039 -0.726) 1.947 3.414 ( 5.532 0.042 4.163) 6.924 3.488 ( 5.103 0.418 -2.737) 5.806 3.582 ( -5.193 0.388 1.596) 5.446 3.618 ( -5.632 0.258 -1.590) 5.858 3.728 ( 4.477 0.025 1.149) 4.622 3.757 ( 4.084 -0.176 -1.441) 4.334 3.896 ( 13.260 -0.531 -0.533) 13.281 3.899 ( 12.992 -0.611 -1.034) 13.047 4.000 ( 8.655 -0.008 1.707) 8.821 4.005 ( 8.344 0.110 1.506) 8.480 4.177 ( 0.592 -0.485 0.539) 0.936 4.192 ( -0.117 -0.308 -0.714) 0.786 5.891 ( 1.368 0.485 1.808) 2.319 5.936 ( 3.278 -0.006 -2.140) 3.915 6.492 ( 2.738 -0.475 2.961) 4.061 6.553 ( 3.530 -0.077 -2.467) 4.307 7.041 ( 3.163 1.557 0.357) 3.544 7.058 ( 0.865 1.208 -1.300) 1.974 7.120 ( -0.739 0.648 1.070) 1.453 7.134 ( 1.423 -0.478 -0.180) 1.512 7.305 ( 7.149 -0.743 -0.017) 7.188 7.307 ( 7.151 -0.434 -0.207) 7.167 7.512 ( 4.636 -0.065 2.517) 5.276 7.579 ( 4.868 0.058 -3.559) 6.030 7.740 ( 1.357 0.057 2.134) 2.529 7.772 ( 0.110 0.028 -0.976) 0.983 8.019 ( -1.216 -0.016 2.711) 2.971 8.076 ( -1.945 0.342 -2.077) 2.866 8.090 ( -0.739 0.340 0.380) 0.898 8.117 ( 0.134 0.094 -2.004) 2.010 8.284 ( -5.173 0.623 3.925) 6.523 8.351 ( -7.094 0.722 -2.144) 7.446 8.515 ( -6.594 0.695 0.636) 6.661 8.536 ( -7.490 0.671 -1.142) 7.607 9.310 ( 5.261 0.023 0.061) 5.261 9.315 ( 5.370 0.008 -0.376) 5.384 9.444 ( 2.017 0.197 0.159) 2.033 9.448 ( 2.051 0.163 -0.181) 2.065 9.598 ( 7.612 -0.180 0.325) 7.621 9.608 ( 6.996 -0.706 -0.573) 7.055 10.055 ( 0.969 -0.198 0.466) 1.094 10.062 ( 0.258 -0.100 -0.110) 0.298 ======================= Grid point 205 (71/98) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.446 0.057 3.469) 3.498 1.634 ( 1.006 -0.032 -2.975) 3.141 2.066 ( -4.400 2.825 1.605) 5.470 2.102 ( -3.599 2.794 -1.487) 4.793 2.143 ( 2.467 0.194 2.666) 3.638 2.165 ( -1.658 0.175 0.602) 1.772 2.211 ( 0.249 -0.839 1.393) 1.645 2.244 ( -2.508 -0.756 -1.354) 2.949 2.284 ( 3.188 -0.256 0.435) 3.228 2.309 ( 3.105 -0.450 -1.662) 3.550 2.373 ( -0.066 -0.211 5.643) 5.647 2.401 ( -2.044 -0.222 3.659) 4.197 2.467 ( -3.393 -1.225 0.079) 3.608 2.524 ( 0.880 0.105 -2.454) 2.609 2.647 ( 0.610 1.342 -1.622) 2.192 2.671 ( 1.146 -0.022 -1.557) 1.933 2.725 ( 0.369 -0.392 -0.101) 0.547 2.761 ( -0.040 -1.372 -3.241) 3.519 2.783 ( 0.267 0.216 0.655) 0.739 2.826 ( 2.100 0.194 -2.621) 3.364 2.870 ( -1.247 0.479 0.075) 1.338 2.899 ( -2.032 0.970 -2.766) 3.567 3.314 ( -1.019 -0.436 0.622) 1.271 3.331 ( -1.138 -0.052 -0.849) 1.421 3.478 ( -2.157 0.710 0.738) 2.387 3.491 ( -1.059 0.815 0.043) 1.338 3.521 ( -0.998 -0.871 1.747) 2.192 3.552 ( 0.302 0.033 -0.772) 0.830 3.794 ( 2.372 0.007 0.760) 2.491 3.809 ( 1.658 -0.011 -0.548) 1.746 4.065 ( 3.146 0.225 0.251) 3.165 4.076 ( 3.791 0.100 -0.838) 3.884 4.126 ( 3.216 0.021 1.019) 3.373 4.131 ( 3.174 -0.112 0.623) 3.237 4.210 ( 2.368 -0.576 -0.052) 2.438 4.211 ( 2.618 -0.557 -0.062) 2.677 5.894 ( -0.764 0.322 3.686) 3.778 5.982 ( 1.209 -0.043 -4.172) 4.344 6.558 ( 3.184 -0.498 2.913) 4.344 6.616 ( 2.424 -0.225 -2.249) 3.314 6.995 ( -4.458 1.350 0.428) 4.677 7.007 ( -4.539 1.132 -0.682) 4.728 7.145 ( 1.776 -0.561 1.862) 2.633 7.183 ( 2.075 -0.472 -1.517) 2.613 7.425 ( 4.163 0.270 -0.184) 4.176 7.427 ( 4.089 0.376 -0.239) 4.113 7.586 ( 2.256 -0.126 2.318) 3.237 7.643 ( 1.432 -0.001 -2.877) 3.214 7.749 ( -0.234 0.049 1.144) 1.169 7.764 ( -0.679 -0.084 -0.337) 0.762 7.999 ( -0.764 -0.261 1.788) 1.962 8.035 ( -1.752 0.152 -1.281) 2.176 8.074 ( -0.850 0.999 0.061) 1.313 8.093 ( -2.062 0.466 -1.736) 2.735 8.217 ( -1.641 0.679 2.132) 2.775 8.237 ( -3.284 -0.271 0.138) 3.298 8.395 ( -4.663 0.286 0.015) 4.672 8.406 ( -4.669 0.190 -0.973) 4.773 9.376 ( 1.505 0.027 0.021) 1.505 9.380 ( 1.443 0.076 -0.404) 1.500 9.471 ( 0.725 0.084 0.132) 0.741 9.474 ( 0.592 0.053 -0.110) 0.604 9.704 ( 2.984 -0.003 0.299) 2.998 9.713 ( 3.099 -0.392 -0.495) 3.162 10.077 ( 0.860 -0.121 0.250) 0.904 10.079 ( 1.009 -0.109 0.126) 1.023 ======================= Grid point 206 (72/98) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.885 -0.072 3.820) 3.921 1.638 ( -0.639 0.084 -3.351) 3.412 1.978 ( -2.927 0.596 1.691) 3.432 2.017 ( -3.687 -0.088 -1.752) 4.083 2.092 ( -4.732 -1.674 0.801) 5.083 2.100 ( -5.238 -2.008 -0.386) 5.623 2.217 ( -2.171 -0.103 4.229) 4.755 2.246 ( 0.746 -0.721 0.668) 1.234 2.296 ( -1.583 -0.033 0.257) 1.605 2.315 ( -0.286 -0.317 -1.378) 1.443 2.362 ( -1.947 -0.500 3.762) 4.266 2.413 ( -1.506 -1.311 -0.442) 2.045 2.429 ( 2.307 -0.289 4.670) 5.217 2.537 ( 0.642 0.078 0.443) 0.783 2.646 ( -0.022 2.069 -3.950) 4.460 2.690 ( 0.788 0.726 -2.313) 2.549 2.723 ( -0.664 -0.707 0.278) 1.009 2.758 ( -0.528 -1.400 -3.083) 3.427 2.784 ( -0.308 -1.661 0.142) 1.695 2.840 ( -0.128 -0.191 -5.679) 5.684 2.870 ( 1.067 1.564 0.708) 2.022 2.890 ( 1.257 1.706 -1.158) 2.415 3.323 ( 1.655 -0.187 0.012) 1.665 3.326 ( 0.665 -0.133 -0.288) 0.737 3.438 ( -2.239 -1.081 0.711) 2.586 3.445 ( -0.694 -0.778 -0.083) 1.046 3.533 ( -1.267 0.055 1.870) 2.259 3.552 ( 0.515 0.084 0.010) 0.522 3.821 ( 0.337 0.827 0.276) 0.935 3.825 ( 0.134 0.572 -0.105) 0.597 4.045 ( -4.322 -0.383 1.070) 4.469 4.069 ( -3.672 -0.141 -1.173) 3.857 4.122 ( -3.201 -0.038 1.125) 3.393 4.135 ( -2.601 -0.058 -0.094) 2.603 4.252 ( 0.815 0.685 -0.030) 1.065 4.253 ( 0.843 0.676 -0.095) 1.085 5.864 ( -2.063 -0.567 5.047) 5.482 5.981 ( -1.289 -0.088 -5.313) 5.468 6.600 ( 0.380 0.720 1.723) 1.905 6.634 ( -1.141 0.285 -1.345) 1.787 6.898 ( -4.601 -1.570 0.544) 4.892 6.911 ( -4.492 -1.722 -0.629) 4.852 7.160 ( -0.674 -0.125 2.034) 2.147 7.202 ( -0.421 0.126 -1.740) 1.794 7.440 ( -2.350 1.062 0.056) 2.579 7.447 ( -1.627 1.017 -0.625) 2.018 7.590 ( -2.039 -0.233 2.092) 2.931 7.632 ( -2.505 -0.512 -1.719) 3.081 7.743 ( -0.215 -0.049 0.552) 0.595 7.756 ( -0.143 -0.359 -0.592) 0.707 8.004 ( 1.131 -0.692 1.443) 1.960 8.025 ( 0.823 -0.064 -0.162) 0.841 8.046 ( -0.713 0.886 -0.461) 1.227 8.062 ( -0.526 -0.097 -2.217) 2.281 8.186 ( -1.028 -0.516 2.785) 3.013 8.217 ( -0.288 -0.972 -0.218) 1.037 8.351 ( 0.174 -1.161 0.394) 1.238 8.370 ( 0.816 -0.938 -1.383) 1.860 9.374 ( -1.547 -0.022 -0.106) 1.551 9.377 ( -1.747 -0.013 -0.300) 1.772 9.469 ( -0.914 0.008 0.031) 0.915 9.470 ( -1.006 -0.013 -0.006) 1.006 9.714 ( -1.862 0.239 0.767) 2.028 9.733 ( -1.161 0.239 -0.932) 1.508 10.084 ( -0.193 0.109 0.516) 0.562 10.091 ( 0.149 0.229 -0.133) 0.304 ======================= Grid point 207 (73/98) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -2.118 -0.262 3.829) 4.384 1.609 ( -2.246 0.160 -3.288) 3.986 1.933 ( -6.925 -3.757 1.139) 7.960 1.947 ( -2.378 -3.240 0.040) 4.019 2.005 ( -4.218 -1.429 1.457) 4.686 2.030 ( -1.928 -2.789 -1.223) 3.605 2.117 ( -7.059 -0.464 4.423) 8.343 2.195 ( -6.077 -0.414 -1.997) 6.410 2.278 ( -3.505 0.563 1.992) 4.070 2.280 ( -0.980 -0.302 1.299) 1.655 2.368 ( 1.078 -2.442 0.287) 2.684 2.389 ( -0.497 -2.452 -1.117) 2.740 2.479 ( 2.059 1.436 3.306) 4.151 2.556 ( 1.497 0.387 2.702) 3.113 2.614 ( -1.716 2.779 -3.542) 4.818 2.692 ( 0.166 0.595 -1.969) 2.064 2.717 ( -0.565 -0.456 1.042) 1.270 2.745 ( -1.499 -1.008 -1.353) 2.257 2.807 ( 0.632 -4.577 -1.842) 4.974 2.847 ( -0.040 -0.102 -4.402) 4.403 2.885 ( 1.834 1.347 -2.145) 3.127 2.895 ( 0.106 2.159 -1.132) 2.440 3.348 ( 1.029 0.005 0.732) 1.263 3.366 ( 1.513 0.290 -0.517) 1.625 3.414 ( -0.722 -0.778 2.019) 2.281 3.447 ( -0.861 -1.644 -0.864) 2.047 3.504 ( -1.191 -1.992 2.498) 3.410 3.545 ( -1.543 -0.667 -1.228) 2.082 3.792 ( -2.645 1.668 0.480) 3.164 3.800 ( -2.644 1.283 -0.324) 2.957 3.909 ( -9.561 -0.562 1.569) 9.705 3.941 ( -9.118 0.442 -1.482) 9.248 4.012 ( -7.234 0.459 1.796) 7.468 4.039 ( -6.018 1.044 -0.690) 6.147 4.238 ( -1.228 1.283 -0.040) 1.776 4.239 ( -1.107 1.191 -0.140) 1.633 5.826 ( -2.209 -1.361 4.967) 5.604 5.936 ( -3.212 0.003 -4.676) 5.673 6.556 ( -3.628 1.309 0.228) 3.864 6.565 ( -5.020 0.264 -0.506) 5.053 6.842 ( -3.186 -4.191 0.676) 5.308 6.861 ( -2.596 -4.100 -1.154) 4.988 7.123 ( -2.851 0.086 2.236) 3.624 7.165 ( -3.082 0.657 -1.509) 3.494 7.349 ( -5.196 1.214 0.893) 5.410 7.376 ( -4.044 1.207 -1.553) 4.497 7.522 ( -4.409 -0.193 2.156) 4.912 7.560 ( -4.829 -0.897 -1.273) 5.074 7.739 ( -0.180 0.347 0.602) 0.718 7.760 ( 0.174 -0.365 -1.100) 1.172 8.027 ( 0.959 0.169 1.164) 1.518 8.046 ( 0.992 -0.483 -0.005) 1.104 8.053 ( 1.639 0.493 0.066) 1.713 8.084 ( 1.564 -0.883 -2.004) 2.691 8.193 ( 1.452 -2.405 3.212) 4.267 8.245 ( 2.367 -2.891 -1.377) 3.982 8.399 ( 2.881 -2.977 0.972) 4.255 8.428 ( 3.508 -2.541 -1.672) 4.643 9.309 ( -5.032 0.032 0.069) 5.033 9.316 ( -4.421 0.058 -0.509) 4.450 9.432 ( -2.876 -0.079 0.086) 2.878 9.434 ( -2.694 -0.096 -0.094) 2.697 9.635 ( -5.605 0.728 1.385) 5.819 9.667 ( -4.974 0.888 -1.505) 5.272 10.075 ( -0.373 0.278 0.562) 0.729 10.083 ( -0.580 0.582 -0.172) 0.839 ======================= Grid point 208 (74/98) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -3.204 -0.378 3.452) 4.725 1.547 ( -3.885 0.165 -2.723) 4.747 1.764 ( -11.295 -1.552 3.567) 11.946 1.836 ( -8.426 1.065 -0.741) 8.526 1.942 ( -8.180 1.006 3.262) 8.864 2.016 ( -0.694 -4.801 1.746) 5.155 2.047 ( -7.176 -0.284 -3.430) 7.959 2.054 ( 0.488 -4.347 -1.658) 4.678 2.196 ( -4.541 -0.952 2.836) 5.438 2.229 ( -3.995 -1.081 -0.744) 4.205 2.399 ( 0.613 -3.497 0.992) 3.686 2.422 ( 0.603 -3.166 0.013) 3.222 2.477 ( -1.280 1.696 0.777) 2.262 2.544 ( -4.001 1.522 -3.759) 5.697 2.592 ( 2.082 1.404 5.666) 6.197 2.697 ( -1.379 -0.199 -1.380) 1.961 2.704 ( -1.077 -1.393 0.068) 1.763 2.714 ( -0.626 -0.121 -1.099) 1.270 2.816 ( -1.577 0.853 -0.084) 1.794 2.850 ( -0.516 -2.402 -3.593) 4.352 2.869 ( -1.076 -0.023 0.147) 1.086 2.925 ( 1.333 -0.365 -5.688) 5.854 3.314 ( -5.839 -0.572 2.951) 6.567 3.345 ( -4.385 -1.550 -0.293) 4.660 3.392 ( -3.995 0.959 1.152) 4.267 3.421 ( -1.601 2.417 -1.628) 3.325 3.480 ( -4.566 -1.599 0.778) 4.900 3.501 ( -3.023 -2.178 -0.822) 3.816 3.680 ( -10.446 1.736 1.389) 10.680 3.694 ( -6.526 2.027 0.336) 6.841 3.701 ( -8.661 0.953 0.490) 8.727 3.734 ( -8.127 1.123 -2.226) 8.501 3.872 ( -5.365 0.353 3.699) 6.526 3.930 ( -3.423 1.103 -1.787) 4.015 4.207 ( -0.911 0.927 0.348) 1.346 4.217 ( -0.270 0.489 -0.545) 0.780 5.795 ( -1.710 -1.411 3.394) 4.054 5.864 ( -3.627 -0.035 -2.687) 4.514 6.461 ( -5.122 -0.929 0.346) 5.217 6.473 ( -3.807 -0.049 -0.666) 3.865 6.799 ( -3.809 -4.283 1.012) 5.821 6.832 ( -2.944 -3.902 -2.065) 5.306 7.049 ( -4.655 0.326 1.512) 4.905 7.074 ( -5.673 0.798 -0.800) 5.784 7.250 ( -3.631 0.900 1.803) 4.153 7.296 ( -3.044 1.474 -2.324) 4.103 7.435 ( -4.013 0.139 1.684) 4.354 7.463 ( -4.999 -0.289 -0.771) 5.067 7.728 ( -0.486 1.292 1.065) 1.744 7.761 ( -0.065 0.358 -1.761) 1.798 8.054 ( 1.583 0.021 2.482) 2.944 8.071 ( 0.940 -0.516 0.260) 1.103 8.078 ( 1.336 0.537 0.108) 1.444 8.118 ( 1.839 -0.516 -2.455) 3.110 8.270 ( 3.943 -4.131 3.395) 6.643 8.340 ( 4.560 -4.945 -2.588) 7.206 8.482 ( 3.030 -4.926 1.598) 6.000 8.523 ( 3.735 -4.588 -2.061) 6.264 9.176 ( -8.152 0.451 0.710) 8.195 9.198 ( -7.113 0.770 -1.272) 7.267 9.354 ( -5.223 -0.151 0.361) 5.238 9.361 ( -4.803 -0.215 -0.345) 4.821 9.496 ( -7.197 1.527 1.915) 7.603 9.540 ( -6.728 1.472 -1.915) 7.148 10.070 ( 0.147 0.512 0.590) 0.795 10.080 ( 1.033 -0.046 -0.237) 1.061 ======================= Grid point 209 (75/98) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -5.462 0.336 2.477) 6.006 1.444 ( -6.688 1.035 -0.733) 6.808 1.514 ( -12.533 2.797 5.824) 14.101 1.634 ( -9.799 4.965 -1.997) 11.165 1.756 ( -8.022 3.045 1.634) 8.735 1.879 ( -7.490 3.595 -5.091) 9.744 2.013 ( -2.583 -0.637 5.302) 5.932 2.106 ( -1.786 -1.304 -2.765) 3.541 2.127 ( -1.654 -5.937 1.574) 6.361 2.168 ( -3.158 -6.051 -1.855) 7.074 2.366 ( -6.730 -1.487 2.227) 7.243 2.419 ( -7.800 -0.588 -1.763) 8.018 2.426 ( -0.655 -3.860 2.444) 4.616 2.483 ( 0.499 -2.096 -2.600) 3.376 2.588 ( -5.513 2.728 0.981) 6.229 2.627 ( -3.045 0.154 1.932) 3.610 2.652 ( -3.121 2.097 -1.012) 3.894 2.736 ( 0.608 0.009 -1.798) 1.898 2.772 ( -1.836 1.638 2.256) 3.338 2.808 ( -2.470 0.199 -0.781) 2.598 2.867 ( -2.133 -4.188 -2.846) 5.495 2.901 ( -4.534 0.401 -4.287) 6.253 3.109 ( -12.833 3.702 4.264) 14.020 3.193 ( -9.056 0.012 -3.446) 9.690 3.231 ( -11.183 -0.179 0.282) 11.188 3.247 ( -10.328 3.335 -1.477) 10.953 3.410 ( -6.051 2.225 0.731) 6.488 3.433 ( -5.294 2.112 -1.742) 5.960 3.487 ( -7.360 2.598 1.149) 7.889 3.507 ( -4.499 2.462 0.340) 5.140 3.553 ( -7.395 -0.097 4.530) 8.673 3.650 ( -2.924 -2.122 -3.743) 5.202 3.819 ( -0.896 -2.267 4.411) 5.040 3.892 ( -0.988 -1.447 -2.502) 3.055 4.206 ( 1.237 -0.053 1.175) 1.707 4.234 ( 2.047 -0.367 -1.345) 2.477 5.774 ( -1.005 -0.702 2.163) 2.487 5.812 ( -1.449 -0.976 -1.207) 2.123 6.382 ( -3.545 -1.472 1.653) 4.180 6.420 ( -1.999 -1.733 -1.589) 3.086 6.736 ( -4.493 -2.623 1.765) 5.494 6.781 ( -4.265 -2.408 -2.103) 5.331 6.924 ( -8.013 0.156 0.072) 8.014 6.928 ( -8.683 0.335 -0.179) 8.691 7.208 ( -0.083 1.281 0.697) 1.461 7.239 ( -1.316 3.070 -1.751) 3.771 7.367 ( -2.638 0.639 0.863) 2.849 7.378 ( -3.118 1.053 0.009) 3.291 7.707 ( -0.424 2.675 1.572) 3.132 7.753 ( -0.115 1.903 -2.434) 3.092 8.073 ( 0.539 -0.230 2.283) 2.357 8.093 ( 0.660 -0.246 -0.252) 0.748 8.110 ( 2.715 0.793 1.942) 3.431 8.171 ( 3.123 -0.664 -2.839) 4.273 8.377 ( 3.893 -4.917 4.023) 7.451 8.463 ( 4.310 -5.659 -3.439) 7.901 8.564 ( 1.695 -6.684 2.134) 7.219 8.616 ( 2.157 -6.445 -2.620) 7.284 8.991 ( -9.558 1.381 1.608) 9.790 9.035 ( -8.054 2.073 -2.415) 8.660 9.222 ( -7.612 0.842 1.496) 7.803 9.246 ( -6.507 0.263 -0.811) 6.562 9.355 ( -5.865 1.422 1.843) 6.310 9.403 ( -5.891 1.576 -2.346) 6.534 10.088 ( 1.862 -0.135 1.958) 2.706 10.126 ( 3.272 -1.258 -1.400) 3.775 ======================= Grid point 210 (76/98) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -13.398 7.486 6.813) 16.792 1.244 ( -10.259 6.372 4.723) 12.968 1.336 ( -6.419 4.947 1.121) 8.182 1.416 ( -8.109 4.495 -7.037) 11.639 1.620 ( -4.309 2.687 1.863) 5.409 1.721 ( -5.770 4.803 -4.848) 8.937 1.915 ( -6.853 1.837 6.474) 9.605 2.024 ( -6.534 1.248 -4.329) 7.937 2.067 ( -10.775 -1.233 4.323) 11.675 2.150 ( -7.535 -1.434 -2.597) 8.098 2.206 ( -4.597 -3.897 4.688) 7.635 2.292 ( -11.515 7.457 3.696) 14.208 2.303 ( -3.363 -4.338 -2.992) 6.252 2.443 ( -5.570 3.595 -8.205) 10.549 2.452 ( -3.682 -1.503 4.245) 5.817 2.552 ( -1.465 1.464 -4.296) 4.769 2.587 ( -3.887 3.675 2.074) 5.737 2.649 ( -8.816 3.676 -3.488) 10.169 2.723 ( -2.289 -0.619 2.263) 3.278 2.767 ( -0.669 0.421 -1.834) 1.997 2.807 ( -2.475 -1.826 0.257) 3.086 2.838 ( -3.302 -1.258 -2.865) 4.549 2.908 ( -5.173 -0.347 4.119) 6.622 2.994 ( -8.307 1.889 -2.796) 8.966 3.055 ( -7.148 -0.710 0.126) 7.184 3.081 ( -6.230 -0.081 -2.326) 6.651 3.200 ( -11.169 1.186 1.020) 11.278 3.236 ( -9.735 1.335 -2.059) 10.040 3.360 ( -6.279 4.431 3.311) 8.368 3.423 ( -4.310 3.417 -2.165) 5.911 3.474 ( -0.522 0.926 7.973) 8.044 3.625 ( -0.700 -1.882 -5.821) 6.157 3.834 ( 0.013 -4.460 3.591) 5.726 3.895 ( -0.383 -4.323 -2.249) 4.888 4.251 ( 2.740 -0.969 1.674) 3.354 4.290 ( 2.941 -0.723 -1.822) 3.535 5.770 ( 0.554 -0.450 4.032) 4.095 5.827 ( 1.887 -3.088 -1.210) 3.816 6.338 ( -1.676 -1.195 2.626) 3.336 6.408 ( -0.597 -2.238 -3.474) 4.175 6.648 ( -5.415 -0.403 2.017) 5.792 6.674 ( -7.591 0.144 -0.269) 7.597 6.726 ( -10.791 0.011 0.372) 10.798 6.746 ( -10.235 -2.167 -1.217) 10.532 7.192 ( 0.309 5.536 0.934) 5.623 7.239 ( 2.681 3.643 -3.043) 5.452 7.320 ( -1.403 1.433 0.756) 2.143 7.339 ( 0.172 1.548 -1.042) 1.874 7.686 ( 0.253 4.098 1.940) 4.541 7.739 ( 0.658 4.123 -2.977) 5.128 8.090 ( 1.141 -0.237 1.592) 1.973 8.108 ( 1.007 0.210 -0.421) 1.111 8.167 ( 3.292 0.617 3.885) 5.129 8.243 ( 3.564 -0.982 -2.912) 4.706 8.460 ( 0.968 -4.587 4.234) 6.318 8.535 ( -1.014 -4.064 -2.233) 4.747 8.613 ( -1.240 -7.195 1.480) 7.449 8.669 ( -0.699 -6.129 -3.704) 7.196 8.811 ( -6.547 0.922 2.864) 7.205 8.883 ( -5.340 2.049 -3.935) 6.943 9.078 ( -5.001 2.109 2.813) 6.114 9.123 ( -4.806 1.112 -1.451) 5.142 9.243 ( -5.102 0.463 1.550) 5.353 9.289 ( -4.781 1.346 -2.612) 5.612 10.145 ( 3.374 -1.456 4.220) 5.596 10.221 ( 4.907 -3.244 -2.646) 6.450 ======================= Grid point 211 (77/98) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -9.180 13.706 11.285) 19.987 0.981 ( -11.315 10.213 11.665) 19.194 1.145 ( -6.358 11.129 -8.868) 15.586 1.251 ( -8.196 5.579 -11.267) 15.008 1.516 ( -5.234 0.727 2.470) 5.833 1.535 ( -14.536 12.462 3.463) 19.457 1.697 ( -2.777 7.592 7.563) 11.070 1.837 ( -7.707 5.226 6.203) 11.189 1.865 ( -2.434 6.396 -1.270) 6.960 1.992 ( -6.258 2.339 -2.335) 7.077 2.113 ( -3.162 1.731 -0.301) 3.617 2.189 ( -4.471 4.999 -4.795) 8.244 2.262 ( -2.282 -1.109 0.206) 2.546 2.312 ( -5.978 3.388 -3.169) 7.567 2.338 ( -6.842 -1.474 1.578) 7.175 2.445 ( -1.207 -2.642 -6.695) 7.298 2.558 ( 0.527 -1.017 0.352) 1.198 2.587 ( 1.689 0.960 -2.379) 3.071 2.707 ( -0.577 -0.424 1.829) 1.964 2.727 ( -4.181 -0.528 -0.894) 4.308 2.757 ( -4.513 -0.056 -0.592) 4.552 2.769 ( -1.969 0.952 -1.150) 2.471 2.819 ( -5.927 -0.308 1.804) 6.203 2.863 ( -4.855 -1.509 -1.692) 5.358 2.961 ( -2.487 0.269 0.666) 2.589 2.971 ( -3.342 -1.560 -0.424) 3.713 3.039 ( -5.258 -2.663 2.035) 6.236 3.103 ( -4.083 -1.236 -3.778) 5.698 3.209 ( -4.902 5.287 6.300) 9.575 3.322 ( -2.673 4.683 -4.029) 6.732 3.468 ( 0.470 2.261 8.469) 8.778 3.629 ( 0.193 -0.188 -6.500) 6.505 3.862 ( 0.031 -4.974 3.117) 5.870 3.924 ( 0.339 -5.491 -2.815) 6.180 4.312 ( 2.376 -1.479 1.646) 3.247 4.348 ( 2.190 -0.838 -1.543) 2.807 5.818 ( 3.964 -3.044 9.025) 10.316 5.915 ( 3.886 -6.356 -1.015) 7.519 6.326 ( -0.136 -0.420 2.779) 2.814 6.399 ( -2.377 0.936 -3.287) 4.163 6.494 ( -7.506 0.074 0.053) 7.506 6.507 ( -9.661 0.313 -0.931) 9.711 6.538 ( -7.545 -0.262 1.645) 7.727 6.573 ( -7.346 -2.266 -0.847) 7.734 7.167 ( 0.935 8.725 3.343) 9.390 7.256 ( 0.804 3.191 -3.393) 4.726 7.299 ( 0.111 1.916 1.222) 2.275 7.373 ( 3.688 2.932 -6.867) 8.327 7.673 ( 1.163 5.468 1.975) 5.928 7.738 ( 2.127 6.807 -4.329) 8.343 8.125 ( 2.181 -0.408 0.837) 2.372 8.138 ( 2.401 0.362 -0.271) 2.443 8.237 ( 4.310 0.146 5.845) 7.264 8.317 ( 2.656 -1.727 -2.247) 3.884 8.440 ( -4.170 -1.611 2.610) 5.176 8.477 ( -4.374 -0.495 -0.798) 4.474 8.563 ( -6.991 -3.685 1.464) 8.038 8.629 ( -4.561 -0.780 -4.088) 6.174 8.765 ( -0.862 -4.288 2.366) 4.972 8.839 ( 1.110 -2.534 -3.778) 4.683 9.016 ( -0.656 1.218 2.614) 2.957 9.055 ( -2.005 0.450 -1.269) 2.415 9.146 ( -4.491 -0.117 2.374) 5.081 9.202 ( -2.799 1.902 -2.835) 4.414 10.236 ( 3.983 -4.331 7.412) 9.463 10.345 ( 4.521 -5.745 -3.087) 7.936 ======================= Grid point 212 (78/98) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.000 16.417 13.658) 21.356 0.734 ( 0.000 14.593 16.996) 22.401 1.013 ( 0.000 9.638 -13.904) 16.918 1.071 ( 0.000 13.902 -14.103) 19.803 1.232 ( 0.000 25.132 19.247) 31.656 1.467 ( -0.000 -2.260 -1.535) 2.732 1.699 ( 0.000 0.954 5.239) 5.325 1.721 ( 0.000 3.524 8.437) 9.144 1.845 ( 0.000 6.400 -2.594) 6.906 1.879 ( 0.000 1.361 -6.316) 6.461 2.064 ( 0.000 8.218 -6.565) 10.518 2.095 ( 0.000 5.510 -5.204) 7.579 2.193 ( 0.000 0.081 1.812) 1.814 2.224 ( -0.000 -1.143 -1.060) 1.559 2.326 ( -0.000 -2.215 5.670) 6.088 2.484 ( -0.000 -4.208 -8.564) 9.542 2.583 ( -0.000 -1.649 0.111) 1.652 2.615 ( 0.000 0.853 -2.463) 2.606 2.649 ( -0.000 -0.984 1.245) 1.587 2.677 ( -0.000 -1.345 -1.166) 1.780 2.723 ( 0.000 0.313 0.417) 0.521 2.733 ( 0.000 0.801 -0.491) 0.939 2.753 ( -0.000 -0.807 3.754) 3.840 2.824 ( -0.000 -1.388 -3.396) 3.668 2.951 ( -0.000 -0.635 0.148) 0.652 2.954 ( -0.000 -0.934 -0.099) 0.939 2.979 ( 0.000 1.114 3.953) 4.107 3.055 ( 0.000 1.725 -2.477) 3.019 3.153 ( -0.000 -0.127 5.223) 5.224 3.276 ( 0.000 3.682 -5.344) 6.490 3.458 ( 0.000 3.213 9.171) 9.718 3.628 ( 0.000 1.182 -6.625) 6.730 3.889 ( -0.000 -4.604 3.100) 5.551 3.960 ( -0.000 -4.888 -3.888) 6.245 4.348 ( -0.000 -1.482 1.530) 2.131 4.378 ( -0.000 -0.901 -1.128) 1.443 5.951 ( -0.000 -13.475 11.894) 17.974 6.015 ( -0.000 -9.012 1.304) 9.106 6.306 ( 0.000 4.013 0.281) 4.023 6.312 ( 0.000 3.928 -0.289) 3.938 6.351 ( -0.000 -1.913 6.647) 6.917 6.444 ( 0.000 2.840 0.071) 2.841 6.446 ( 0.000 2.884 -0.063) 2.885 6.518 ( -0.000 -6.048 -6.180) 8.647 7.123 ( 0.000 10.398 4.872) 11.483 7.245 ( 0.000 3.347 -4.312) 5.459 7.293 ( 0.000 1.338 1.315) 1.876 7.399 ( 0.000 4.491 -11.062) 11.939 7.656 ( 0.000 6.503 1.078) 6.592 7.722 ( 0.000 8.796 -5.654) 10.456 8.160 ( -0.000 -0.413 0.777) 0.880 8.177 ( 0.000 0.173 -0.691) 0.712 8.334 ( -0.000 -1.847 0.334) 1.877 8.342 ( -0.000 -1.805 -0.379) 1.844 8.409 ( -0.000 -1.663 8.134) 8.303 8.422 ( 0.000 0.457 0.490) 0.670 8.433 ( 0.000 0.568 -0.467) 0.735 8.554 ( 0.000 1.738 -6.801) 7.019 8.797 ( -0.000 -6.537 5.096) 8.288 8.884 ( -0.000 -4.551 -2.788) 5.337 9.012 ( 0.000 0.029 0.756) 0.756 9.029 ( 0.000 0.070 -0.735) 0.738 9.089 ( 0.000 0.586 4.404) 4.443 9.162 ( 0.000 2.931 -2.966) 4.170 10.329 ( -0.000 -9.151 9.233) 12.999 10.435 ( -0.000 -7.056 -2.280) 7.415 ======================= Grid point 217 (79/98) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.416 -0.000 3.447) 3.472 1.634 ( 1.038 -0.000 -2.952) 3.129 2.084 ( -4.737 0.000 1.644) 5.014 2.121 ( -4.063 0.000 -1.418) 4.303 2.144 ( 1.867 -0.000 2.629) 3.224 2.164 ( -3.101 0.000 0.760) 3.193 2.205 ( 1.364 -0.000 1.177) 1.802 2.239 ( -3.050 0.000 -1.510) 3.403 2.282 ( 3.419 -0.000 0.337) 3.435 2.306 ( 3.326 -0.000 -1.770) 3.768 2.372 ( 0.165 -0.000 5.667) 5.669 2.399 ( -2.094 0.000 3.383) 3.979 2.460 ( -3.686 0.000 0.623) 3.739 2.524 ( 0.848 -0.000 -2.217) 2.374 2.655 ( -0.002 0.000 -2.043) 2.043 2.671 ( 1.597 -0.000 -0.931) 1.848 2.723 ( 0.465 -0.000 -0.540) 0.713 2.752 ( 0.249 -0.000 -3.063) 3.073 2.785 ( 0.107 -0.000 0.513) 0.524 2.827 ( 2.368 -0.000 -2.750) 3.629 2.873 ( -1.225 0.000 0.288) 1.258 2.905 ( -2.161 0.000 -2.853) 3.580 3.312 ( -0.988 0.000 0.721) 1.223 3.330 ( -1.181 0.000 -0.947) 1.514 3.483 ( -3.395 0.000 0.676) 3.461 3.496 ( -0.883 0.000 0.045) 0.884 3.515 ( -0.627 0.000 1.995) 2.091 3.552 ( 0.492 -0.000 -0.958) 1.076 3.795 ( 2.506 -0.000 0.754) 2.617 3.809 ( 1.812 -0.000 -0.536) 1.890 4.066 ( 3.212 -0.000 0.177) 3.217 4.076 ( 3.894 -0.000 -0.845) 3.984 4.126 ( 3.150 -0.000 0.995) 3.304 4.130 ( 2.819 -0.000 0.740) 2.914 4.207 ( 2.646 -0.000 -0.049) 2.647 4.207 ( 3.066 -0.000 -0.069) 3.066 5.896 ( -0.995 0.000 3.583) 3.718 5.982 ( 1.195 -0.000 -4.093) 4.264 6.556 ( 3.418 -0.000 2.999) 4.547 6.615 ( 2.473 -0.000 -2.304) 3.380 7.003 ( -5.263 0.000 0.346) 5.274 7.014 ( -5.254 0.000 -0.643) 5.293 7.142 ( 1.991 -0.000 1.906) 2.757 7.180 ( 2.279 -0.000 -1.536) 2.748 7.427 ( 4.451 -0.000 -0.153) 4.454 7.429 ( 4.318 -0.000 -0.261) 4.326 7.586 ( 2.224 -0.000 2.342) 3.230 7.643 ( 1.357 -0.000 -2.926) 3.226 7.749 ( -0.301 0.000 1.129) 1.169 7.763 ( -0.742 0.000 -0.294) 0.798 7.997 ( -0.859 0.000 1.895) 2.081 8.036 ( -1.910 0.000 -1.375) 2.353 8.080 ( -0.608 0.000 -0.161) 0.629 8.095 ( -2.282 0.000 -1.524) 2.744 8.222 ( -1.188 0.000 1.773) 2.135 8.234 ( -4.261 0.000 0.516) 4.292 8.397 ( -4.994 0.000 -0.020) 4.994 8.407 ( -4.975 0.000 -0.964) 5.068 9.376 ( 1.491 -0.000 0.036) 1.491 9.381 ( 1.423 -0.000 -0.414) 1.482 9.471 ( 0.693 -0.000 0.122) 0.703 9.474 ( 0.551 -0.000 -0.097) 0.560 9.704 ( 2.998 -0.000 0.171) 3.003 9.711 ( 3.350 -0.000 -0.377) 3.371 10.077 ( 0.933 -0.000 0.257) 0.968 10.078 ( 1.076 -0.000 0.119) 1.083 ======================= Grid point 218 (80/98) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -0.946 -0.025 3.873) 3.987 1.639 ( -0.604 0.032 -3.408) 3.462 1.988 ( -4.299 0.780 1.370) 4.579 2.017 ( -5.674 -0.033 -1.138) 5.787 2.076 ( -4.841 -0.850 0.331) 4.926 2.083 ( -5.329 -0.910 -0.615) 5.441 2.216 ( -2.498 -0.019 4.454) 5.107 2.239 ( 0.957 -0.395 1.229) 1.607 2.296 ( -1.545 -0.009 0.098) 1.548 2.312 ( 0.087 -0.191 -1.607) 1.621 2.359 ( -2.427 -0.147 3.201) 4.020 2.400 ( -2.486 -0.720 -0.567) 2.649 2.431 ( 3.720 0.157 5.391) 6.552 2.538 ( 0.706 0.010 1.177) 1.373 2.666 ( 1.102 1.197 -4.712) 4.985 2.696 ( 1.038 0.255 -0.930) 1.417 2.720 ( -0.968 0.347 -1.326) 1.677 2.738 ( -1.075 -1.799 -3.193) 3.819 2.773 ( -1.340 -0.414 0.978) 1.710 2.839 ( -0.572 -0.027 -6.658) 6.682 2.883 ( 1.492 0.642 0.910) 1.862 2.904 ( 1.438 0.635 -1.074) 1.904 3.322 ( 1.960 -0.080 0.064) 1.963 3.325 ( 0.696 -0.054 -0.278) 0.751 3.428 ( -2.663 -0.485 0.986) 2.880 3.439 ( -1.148 -0.297 -0.158) 1.196 3.534 ( -1.944 0.139 1.819) 2.665 3.552 ( 0.856 -0.033 -0.025) 0.857 3.828 ( 0.759 0.312 0.220) 0.849 3.830 ( 0.241 0.246 0.007) 0.344 4.042 ( -4.587 -0.146 1.154) 4.732 4.067 ( -3.787 -0.054 -1.262) 3.992 4.122 ( -3.092 -0.010 1.094) 3.280 4.134 ( -2.251 -0.037 -0.093) 2.254 4.257 ( 1.136 0.245 -0.036) 1.162 4.258 ( 1.207 0.239 -0.093) 1.234 5.860 ( -2.386 -0.210 5.217) 5.740 5.981 ( -1.279 -0.039 -5.468) 5.616 6.605 ( 0.927 0.257 1.564) 1.836 6.636 ( -0.858 0.096 -1.200) 1.478 6.886 ( -5.805 -0.550 0.474) 5.850 6.898 ( -5.637 -0.618 -0.579) 5.700 7.158 ( -0.561 -0.088 2.137) 2.211 7.203 ( -0.194 0.019 -1.828) 1.838 7.450 ( -2.175 0.550 0.005) 2.244 7.455 ( -1.521 0.446 -0.610) 1.699 7.587 ( -2.144 -0.189 2.099) 3.007 7.627 ( -2.820 -0.267 -1.558) 3.233 7.743 ( -0.110 0.002 0.380) 0.396 7.753 ( -0.200 -0.142 -0.525) 0.579 7.998 ( 1.113 -0.270 1.537) 1.917 8.024 ( 1.029 -0.060 -0.318) 1.079 8.056 ( -1.010 0.730 -1.149) 1.695 8.061 ( -0.907 -0.201 -1.685) 1.924 8.182 ( -1.621 -0.151 2.639) 3.101 8.208 ( -0.696 -0.508 0.204) 0.886 8.341 ( -0.418 -0.463 0.447) 0.768 8.363 ( 0.402 -0.364 -1.516) 1.610 9.374 ( -1.547 -0.009 -0.099) 1.551 9.377 ( -1.787 0.000 -0.307) 1.813 9.469 ( -1.041 -0.005 0.046) 1.042 9.470 ( -0.914 0.012 -0.009) 0.914 9.716 ( -1.744 0.091 0.756) 1.904 9.735 ( -0.948 0.079 -0.932) 1.332 10.085 ( -0.102 0.040 0.560) 0.570 10.093 ( 0.283 0.083 -0.173) 0.342 ======================= Grid point 219 (81/98) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -2.172 -0.143 3.997) 4.551 1.610 ( -2.249 0.083 -3.451) 4.120 1.898 ( -6.744 -2.332 1.620) 7.318 1.919 ( -3.369 -1.718 -0.048) 3.782 1.992 ( -4.112 -0.859 0.116) 4.203 2.005 ( -2.685 -1.537 -1.211) 3.323 2.115 ( -6.697 -0.094 5.081) 8.407 2.189 ( -6.186 -0.513 -1.360) 6.354 2.276 ( -2.104 0.042 2.771) 3.479 2.292 ( -1.658 1.468 1.118) 2.480 2.342 ( 0.134 -2.251 -0.432) 2.296 2.366 ( -0.812 -1.606 -1.182) 2.153 2.495 ( 2.801 1.126 3.714) 4.786 2.559 ( 1.408 0.082 3.369) 3.652 2.649 ( -1.596 3.502 -4.190) 5.689 2.693 ( -1.077 -0.239 -0.706) 1.309 2.714 ( 0.059 -0.022 0.337) 0.343 2.734 ( -0.729 -1.410 -2.246) 2.750 2.757 ( -0.514 -3.591 -0.322) 3.641 2.844 ( 0.752 -0.234 -8.978) 9.012 2.900 ( 0.759 1.018 0.042) 1.271 2.914 ( -0.010 1.225 -0.989) 1.574 3.350 ( 1.227 0.245 0.942) 1.566 3.370 ( 1.277 0.538 -0.416) 1.447 3.401 ( -0.261 -1.358 1.730) 2.214 3.430 ( -0.614 -1.225 -0.549) 1.476 3.488 ( -2.042 -0.831 3.074) 3.783 3.542 ( -1.996 -0.115 -1.852) 2.726 3.806 ( -2.584 0.863 0.523) 2.774 3.812 ( -2.409 0.817 -0.074) 2.545 3.903 ( -9.281 -0.371 2.034) 9.508 3.944 ( -8.459 0.193 -1.778) 8.646 4.016 ( -7.020 0.255 1.869) 7.269 4.048 ( -5.646 0.521 -1.027) 5.762 4.250 ( -1.272 0.725 -0.063) 1.465 4.250 ( -1.254 0.697 -0.112) 1.439 5.814 ( -2.306 -0.745 5.507) 6.017 5.936 ( -3.141 0.003 -5.194) 6.070 6.567 ( -5.282 0.249 -0.115) 5.289 6.568 ( -4.392 0.575 -0.188) 4.433 6.804 ( -3.370 -2.294 0.712) 4.139 6.826 ( -2.544 -2.202 -1.227) 3.581 7.123 ( -2.851 -0.091 2.527) 3.811 7.170 ( -2.991 0.305 -1.731) 3.469 7.363 ( -5.180 1.109 0.748) 5.350 7.387 ( -4.118 0.800 -1.560) 4.476 7.517 ( -4.491 -0.484 2.136) 4.997 7.550 ( -4.855 -0.812 -0.842) 4.994 7.743 ( 0.150 0.311 0.179) 0.389 7.757 ( 0.381 -0.183 -0.915) 1.008 8.028 ( 1.212 -0.091 1.109) 1.645 8.044 ( 0.625 -0.005 -0.212) 0.661 8.064 ( 2.233 1.132 -0.533) 2.559 8.077 ( 2.049 -0.292 -1.556) 2.589 8.168 ( 0.224 -1.853 3.257) 3.753 8.215 ( 1.161 -2.139 -0.958) 2.615 8.371 ( 2.237 -1.749 1.142) 3.061 8.406 ( 2.902 -1.393 -1.935) 3.756 9.310 ( -4.963 0.023 0.076) 4.963 9.316 ( -4.267 0.037 -0.523) 4.299 9.431 ( -2.870 -0.053 0.114) 2.873 9.434 ( -2.748 0.014 -0.114) 2.750 9.641 ( -5.408 0.381 1.440) 5.609 9.675 ( -4.799 0.439 -1.558) 5.064 10.077 ( -0.394 0.150 0.688) 0.807 10.088 ( -0.540 0.319 -0.287) 0.690 ======================= Grid point 220 (82/98) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -3.138 -0.210 3.713) 4.866 1.549 ( -3.835 0.137 -2.904) 4.812 1.755 ( -8.420 -0.020 3.579) 9.149 1.842 ( -6.012 0.119 -3.630) 7.024 1.947 ( -2.437 -1.736 4.475) 5.383 1.974 ( -5.828 -0.692 2.102) 6.234 1.997 ( -0.062 -4.464 -1.630) 4.752 2.050 ( -7.076 -0.386 -1.926) 7.344 2.192 ( -4.869 0.141 3.489) 5.992 2.235 ( -3.900 1.885 -0.887) 4.421 2.359 ( 0.176 -3.440 0.760) 3.527 2.385 ( 0.397 -3.176 -0.445) 3.232 2.500 ( -1.886 2.457 1.417) 3.406 2.563 ( -4.820 1.622 -2.333) 5.595 2.596 ( 1.072 -0.951 4.952) 5.155 2.683 ( -1.161 -0.681 -0.841) 1.587 2.692 ( -1.555 -0.779 -0.615) 1.845 2.727 ( 0.540 1.291 -0.630) 1.535 2.789 ( 0.432 -4.540 -1.649) 4.849 2.837 ( -1.332 0.907 -4.153) 4.455 2.887 ( -1.857 1.597 -0.304) 2.468 2.922 ( 1.208 -0.230 -5.755) 5.885 3.303 ( -7.234 -1.163 2.665) 7.797 3.325 ( -5.606 -1.753 -0.072) 5.874 3.397 ( -1.433 0.081 2.789) 3.137 3.445 ( 0.116 1.682 -1.816) 2.478 3.472 ( -2.915 -0.149 -0.157) 2.923 3.482 ( -1.892 -1.083 -0.775) 2.313 3.695 ( -9.986 0.821 2.481) 10.322 3.709 ( -7.326 0.973 0.492) 7.407 3.713 ( -7.226 0.897 0.110) 7.283 3.749 ( -9.495 1.340 -2.414) 9.888 3.875 ( -6.083 0.193 3.765) 7.156 3.940 ( -4.230 0.619 -2.211) 4.813 4.216 ( -1.325 0.667 0.182) 1.494 4.222 ( -0.777 0.392 -0.356) 0.941 5.781 ( -1.425 -0.942 3.988) 4.338 5.864 ( -3.779 0.016 -3.264) 4.994 6.451 ( -5.725 -0.878 0.697) 5.834 6.470 ( -4.805 -0.372 -1.002) 4.923 6.759 ( -3.015 -2.752 1.188) 4.251 6.797 ( -2.038 -2.278 -2.398) 3.885 7.052 ( -4.431 0.162 1.887) 4.819 7.082 ( -5.708 0.552 -0.915) 5.807 7.260 ( -3.947 0.951 1.794) 4.439 7.309 ( -2.937 0.923 -2.655) 4.065 7.434 ( -3.797 -0.313 1.796) 4.212 7.458 ( -4.562 -0.616 -0.390) 4.620 7.742 ( 0.157 1.135 0.533) 1.263 7.766 ( 0.526 0.365 -1.411) 1.549 8.052 ( 1.159 -0.241 1.324) 1.776 8.066 ( 1.175 -0.403 -0.100) 1.246 8.094 ( 1.824 2.121 0.607) 2.862 8.117 ( 2.213 0.524 -1.566) 2.762 8.224 ( 3.286 -4.052 3.139) 6.088 8.285 ( 3.748 -4.585 -2.032) 6.261 8.434 ( 2.356 -3.478 1.678) 4.523 8.480 ( 3.094 -2.973 -2.438) 4.935 9.181 ( -7.840 0.308 0.828) 7.889 9.206 ( -6.648 0.511 -1.420) 6.817 9.353 ( -5.121 -0.008 0.316) 5.131 9.360 ( -4.744 -0.078 -0.312) 4.755 9.510 ( -6.975 0.927 1.901) 7.288 9.552 ( -6.749 0.791 -1.829) 7.037 10.075 ( 0.143 0.302 0.366) 0.496 10.079 ( 0.469 0.001 -0.020) 0.469 ======================= Grid point 221 (83/98) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -4.172 0.356 2.647) 4.953 1.453 ( -5.828 0.570 -1.068) 5.952 1.563 ( -8.974 5.748 4.441) 11.545 1.687 ( -7.935 4.372 -5.510) 10.603 1.802 ( -6.484 5.032 5.592) 9.932 1.913 ( -5.734 2.232 -2.821) 6.769 1.983 ( -0.175 -5.537 2.914) 6.259 2.057 ( 1.960 -6.518 -2.470) 7.241 2.095 ( -5.152 0.119 1.863) 5.479 2.135 ( -4.814 0.316 -1.098) 4.948 2.343 ( -7.444 -2.595 2.928) 8.410 2.381 ( -2.406 -3.705 3.018) 5.350 2.413 ( -7.980 -0.671 -2.183) 8.300 2.455 ( -0.341 -2.727 -3.568) 4.503 2.595 ( -5.107 -1.147 2.289) 5.713 2.643 ( 1.130 3.051 3.514) 4.789 2.673 ( -2.126 1.028 -3.521) 4.239 2.740 ( 0.834 0.655 -0.661) 1.250 2.791 ( -1.552 1.155 0.083) 1.937 2.816 ( -2.764 0.271 -2.418) 3.682 2.821 ( -2.255 -2.618 0.218) 3.462 2.907 ( -3.935 0.434 -5.852) 7.065 3.117 ( -11.583 -1.459 2.893) 12.028 3.166 ( -9.879 -3.319 -1.981) 10.608 3.259 ( -10.095 4.794 2.467) 11.444 3.313 ( -8.849 6.382 -2.585) 11.212 3.430 ( -3.596 1.271 0.497) 3.847 3.454 ( -3.666 1.589 -1.632) 4.316 3.509 ( -8.890 1.365 1.103) 9.062 3.529 ( -6.536 1.358 -0.154) 6.677 3.553 ( -7.178 0.133 3.392) 7.940 3.625 ( -3.705 -2.249 -2.916) 5.224 3.795 ( -2.486 -1.936 5.046) 5.949 3.877 ( -2.467 -1.137 -2.752) 3.867 4.205 ( 0.663 -0.044 1.028) 1.224 4.230 ( 1.694 -0.332 -1.176) 2.088 5.767 ( -0.538 -0.508 1.820) 1.965 5.802 ( -2.217 -0.729 -1.296) 2.670 6.364 ( -3.601 -1.517 1.756) 4.284 6.399 ( -2.833 -1.828 -1.207) 3.581 6.710 ( -3.273 -1.844 1.775) 4.155 6.760 ( -3.036 -1.347 -2.578) 4.205 6.929 ( -7.989 0.601 0.298) 8.017 6.934 ( -8.842 0.631 -0.166) 8.866 7.217 ( 0.128 0.481 1.347) 1.436 7.265 ( -0.827 1.604 -2.798) 3.329 7.375 ( -2.111 0.734 1.427) 2.651 7.388 ( -2.205 0.645 0.248) 2.311 7.737 ( 0.400 2.551 1.058) 2.791 7.773 ( 0.771 1.586 -2.017) 2.679 8.070 ( 0.580 -0.338 1.548) 1.687 8.089 ( 0.910 -0.411 -0.408) 1.079 8.127 ( 2.811 2.073 1.778) 3.919 8.168 ( 3.079 0.170 -1.855) 3.599 8.323 ( 3.758 -4.754 3.779) 7.142 8.399 ( 4.309 -5.659 -2.642) 7.587 8.496 ( 1.261 -5.216 1.939) 5.705 8.553 ( 1.909 -4.588 -3.219) 5.921 9.005 ( -9.167 1.014 1.863) 9.409 9.056 ( -7.558 1.517 -2.776) 8.194 9.229 ( -6.980 0.464 1.188) 7.096 9.249 ( -6.181 0.154 -0.690) 6.221 9.370 ( -6.276 1.173 1.996) 6.689 9.416 ( -6.175 0.826 -2.083) 6.569 10.087 ( 1.381 -0.075 1.373) 1.949 10.113 ( 2.488 -1.019 -0.927) 2.844 ======================= Grid point 222 (84/98) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -9.342 6.127 5.048) 12.259 1.323 ( -6.541 6.075 -0.184) 8.929 1.378 ( -4.865 5.198 3.742) 8.044 1.494 ( -7.624 8.218 -7.137) 13.289 1.665 ( -4.436 5.406 4.996) 8.595 1.778 ( -6.192 5.066 -3.789) 8.853 1.947 ( -7.437 3.361 3.847) 9.022 1.993 ( -4.391 -5.348 0.599) 6.945 2.065 ( -2.917 -0.083 0.217) 2.926 2.122 ( -0.621 -3.013 -3.207) 4.445 2.164 ( -7.790 -3.377 3.519) 9.191 2.248 ( -5.665 -4.887 -2.755) 7.973 2.360 ( -6.392 1.628 3.169) 7.318 2.443 ( -4.419 2.868 2.834) 5.982 2.465 ( -2.984 -0.533 -2.065) 3.667 2.587 ( -4.455 3.886 -5.321) 7.954 2.630 ( -2.975 4.029 1.691) 5.286 2.683 ( -7.611 1.974 -2.103) 8.139 2.718 ( -3.094 -0.107 2.023) 3.698 2.767 ( -1.012 -0.366 -2.288) 2.528 2.793 ( -2.820 -0.754 -0.337) 2.938 2.819 ( -1.723 -1.960 -2.669) 3.733 2.917 ( -6.676 1.580 4.880) 8.419 3.012 ( -7.544 0.646 -3.358) 8.283 3.058 ( -7.009 1.849 1.039) 7.323 3.101 ( -8.273 4.377 -3.598) 10.027 3.213 ( -13.187 0.973 1.094) 13.268 3.246 ( -11.579 0.561 -1.828) 11.736 3.408 ( -4.834 3.797 2.276) 6.555 3.449 ( -3.757 0.596 -0.986) 3.929 3.478 ( -0.336 0.176 5.307) 5.321 3.595 ( -1.115 -3.480 -4.631) 5.899 3.785 ( -0.537 -3.995 4.128) 5.770 3.850 ( -1.482 -3.491 -2.188) 4.378 4.240 ( 2.279 -0.974 1.807) 3.068 4.282 ( 2.823 -0.737 -1.902) 3.483 5.766 ( 0.364 -0.282 1.814) 1.872 5.795 ( 0.594 -2.484 -0.654) 2.637 6.323 ( -1.486 -1.339 2.682) 3.346 6.379 ( -0.654 -2.780 -2.006) 3.489 6.644 ( -4.126 -0.109 1.845) 4.521 6.678 ( -5.953 0.512 -0.869) 6.038 6.733 ( -10.391 0.923 -0.026) 10.432 6.738 ( -10.495 0.335 -0.485) 10.512 7.231 ( 0.850 1.764 -0.446) 2.008 7.268 ( 1.909 1.237 -3.370) 4.066 7.344 ( 0.261 3.043 2.038) 3.672 7.366 ( 1.101 2.837 -0.002) 3.044 7.731 ( 0.919 3.966 1.701) 4.412 7.781 ( 1.623 3.225 -2.787) 4.561 8.087 ( 1.131 -0.233 1.394) 1.810 8.110 ( 1.167 0.024 -0.823) 1.428 8.178 ( 3.252 1.441 3.285) 4.841 8.233 ( 3.257 -0.710 -1.928) 3.851 8.409 ( 1.785 -4.409 4.651) 6.653 8.488 ( 0.682 -4.306 -2.010) 4.801 8.535 ( -0.721 -6.356 1.616) 6.597 8.603 ( 0.542 -5.122 -4.726) 6.990 8.825 ( -7.524 1.323 3.101) 8.245 8.906 ( -6.036 1.958 -4.527) 7.795 9.097 ( -5.121 1.212 2.385) 5.778 9.132 ( -4.871 0.518 -1.106) 5.022 9.249 ( -5.551 0.551 2.158) 5.981 9.302 ( -4.873 0.832 -2.521) 5.549 10.131 ( 2.573 -1.118 3.023) 4.124 10.187 ( 3.737 -2.789 -2.001) 5.074 ======================= Grid point 223 (85/98) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -6.694 12.433 10.068) 17.342 1.108 ( -9.040 12.264 6.007) 16.377 1.263 ( -5.320 8.161 -4.502) 10.732 1.312 ( -5.295 6.836 -11.481) 14.373 1.547 ( -4.779 4.303 3.165) 7.168 1.610 ( -7.323 3.401 -1.443) 8.202 1.792 ( -2.974 6.904 6.885) 10.194 1.902 ( -3.223 3.874 -1.487) 5.255 1.967 ( -3.809 12.156 4.766) 13.601 2.034 ( -4.250 4.521 0.282) 6.211 2.127 ( -4.018 1.377 5.011) 6.568 2.187 ( -0.886 -2.478 -0.926) 2.790 2.247 ( -2.020 -2.492 -0.392) 3.232 2.321 ( -7.868 -0.617 1.839) 8.104 2.397 ( -3.389 8.936 -8.283) 12.647 2.424 ( -5.261 -0.809 -5.132) 7.394 2.555 ( -0.377 0.564 1.460) 1.610 2.606 ( 1.101 2.235 -3.497) 4.293 2.697 ( -1.654 -0.987 1.216) 2.278 2.726 ( -3.295 0.515 -2.242) 4.018 2.760 ( -2.725 0.444 0.546) 2.814 2.780 ( -1.555 1.021 -1.245) 2.238 2.822 ( -5.169 0.845 1.121) 5.356 2.855 ( -6.207 0.411 -1.014) 6.303 2.951 ( -4.376 -1.685 0.037) 4.689 2.956 ( -2.945 -1.247 -0.507) 3.238 3.010 ( -6.049 -2.302 2.638) 6.989 3.081 ( -5.727 -2.240 -3.680) 7.167 3.279 ( -4.342 6.513 5.397) 9.508 3.369 ( -2.748 2.956 -2.417) 4.704 3.483 ( 0.545 0.329 5.804) 5.839 3.610 ( 0.186 -3.663 -5.780) 6.846 3.806 ( 0.033 -4.498 3.175) 5.506 3.860 ( -0.151 -5.444 -2.134) 5.849 4.294 ( 2.035 -1.737 1.970) 3.322 4.337 ( 2.042 -0.947 -1.913) 2.954 5.791 ( 1.773 -1.703 4.810) 5.401 5.847 ( 2.087 -5.448 -0.506) 5.856 6.317 ( 0.147 -1.007 3.245) 3.401 6.395 ( 0.529 -1.747 -3.181) 3.667 6.502 ( -8.872 1.877 0.576) 9.087 6.513 ( -9.626 1.248 -0.390) 9.714 6.555 ( -4.708 2.223 1.011) 5.304 6.573 ( -5.985 1.557 -0.305) 6.191 7.234 ( 0.707 2.836 0.467) 2.960 7.280 ( -0.032 1.101 -2.730) 2.944 7.340 ( 1.354 5.807 2.522) 6.474 7.409 ( 4.117 3.690 -4.409) 7.071 7.731 ( 1.522 4.803 2.455) 5.605 7.806 ( 3.026 4.984 -4.785) 7.543 8.121 ( 2.106 -0.344 1.052) 2.379 8.142 ( 2.242 0.185 -0.783) 2.382 8.240 ( 3.706 0.422 4.637) 5.951 8.296 ( 1.951 -1.834 -1.442) 3.041 8.420 ( -2.420 -1.908 4.156) 5.173 8.469 ( -2.844 -0.898 -0.749) 3.075 8.516 ( -4.911 -4.376 2.104) 6.906 8.612 ( -2.462 -2.027 -5.577) 6.425 8.732 ( -1.816 -1.712 2.822) 3.767 8.822 ( -1.209 -0.598 -5.289) 5.458 9.027 ( -1.512 0.716 2.240) 2.795 9.058 ( -2.488 0.193 -1.020) 2.696 9.146 ( -4.429 0.062 3.670) 5.752 9.220 ( -2.612 1.171 -3.086) 4.209 10.195 ( 2.506 -2.947 5.289) 6.553 10.283 ( 3.276 -5.178 -2.772) 6.725 ======================= Grid point 224 (86/98) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 13.538 14.531) 19.860 0.898 ( 0.000 16.171 9.875) 18.948 1.129 ( 0.000 10.572 -11.046) 15.290 1.208 ( 0.000 9.862 -15.091) 18.028 1.473 ( 0.000 4.328 3.583) 5.619 1.479 ( 0.000 13.541 3.844) 14.076 1.767 ( 0.000 4.606 6.941) 8.331 1.769 ( 0.000 14.652 12.893) 19.517 1.897 ( 0.000 1.725 -5.039) 5.326 1.938 ( 0.000 9.467 0.076) 9.468 2.093 ( 0.000 0.690 0.169) 0.710 2.194 ( -0.000 -0.018 0.807) 0.808 2.203 ( 0.000 7.415 -7.427) 10.495 2.208 ( -0.000 -1.786 -0.485) 1.850 2.315 ( 0.000 1.777 0.691) 1.907 2.438 ( -0.000 -3.401 -9.146) 9.758 2.571 ( -0.000 -0.136 1.242) 1.250 2.635 ( -0.000 -1.591 1.126) 1.949 2.636 ( 0.000 3.147 -5.060) 5.959 2.659 ( -0.000 -1.797 -1.004) 2.059 2.728 ( 0.000 0.461 0.705) 0.842 2.744 ( 0.000 1.078 -0.756) 1.317 2.754 ( 0.000 0.720 3.492) 3.565 2.811 ( -0.000 -0.912 -2.249) 2.427 2.942 ( -0.000 -1.072 0.047) 1.073 2.943 ( -0.000 -0.768 -0.024) 0.768 2.960 ( -0.000 -3.575 3.196) 4.795 3.040 ( -0.000 -4.248 -4.149) 5.938 3.195 ( 0.000 6.691 7.374) 9.957 3.321 ( 0.000 3.991 -4.139) 5.750 3.485 ( 0.000 1.317 7.310) 7.428 3.629 ( -0.000 -1.662 -6.190) 6.409 3.833 ( -0.000 -4.959 3.029) 5.811 3.895 ( -0.000 -6.257 -3.116) 6.990 4.328 ( -0.000 -2.031 1.825) 2.731 4.366 ( -0.000 -1.160 -1.574) 1.955 5.844 ( -0.000 -6.147 8.495) 10.485 5.916 ( -0.000 -8.243 0.242) 8.246 6.334 ( -0.000 -1.406 4.838) 5.038 6.357 ( 0.000 4.900 0.233) 4.905 6.362 ( 0.000 4.790 -0.238) 4.796 6.458 ( -0.000 -4.712 -4.592) 6.580 6.481 ( 0.000 3.497 0.095) 3.499 6.483 ( 0.000 3.555 -0.090) 3.556 7.219 ( 0.000 5.620 1.751) 5.887 7.271 ( 0.000 1.544 -2.134) 2.634 7.324 ( 0.000 4.811 2.757) 5.545 7.437 ( 0.000 3.174 -7.672) 8.303 7.723 ( 0.000 5.377 2.163) 5.796 7.814 ( 0.000 6.841 -7.557) 10.193 8.155 ( -0.000 -0.491 1.061) 1.169 8.177 ( -0.000 -0.065 -0.927) 0.929 8.312 ( -0.000 -2.127 0.363) 2.158 8.320 ( -0.000 -2.056 -0.406) 2.096 8.392 ( -0.000 -1.348 10.382) 10.469 8.426 ( 0.000 0.316 0.546) 0.631 8.438 ( 0.000 0.437 -0.527) 0.685 8.571 ( 0.000 1.088 -7.527) 7.605 8.737 ( -0.000 -4.040 4.347) 5.935 8.838 ( -0.000 -3.533 -4.570) 5.776 9.013 ( 0.000 0.035 0.780) 0.781 9.030 ( 0.000 0.085 -0.756) 0.761 9.094 ( 0.000 0.390 5.808) 5.821 9.187 ( 0.000 1.612 -3.345) 3.713 10.249 ( -0.000 -5.335 7.336) 9.071 10.355 ( -0.000 -6.888 -2.881) 7.466 ======================= Grid point 231 (87/98) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -2.188 0.000 4.055) 4.608 1.610 ( -2.250 0.000 -3.508) 4.168 1.884 ( -6.845 0.000 1.815) 7.082 1.909 ( -3.740 0.000 -0.118) 3.742 1.987 ( -3.881 0.000 -0.345) 3.896 1.996 ( -3.070 0.000 -1.171) 3.286 2.114 ( -6.507 0.000 5.244) 8.357 2.186 ( -6.249 0.000 -1.042) 6.335 2.277 ( -1.792 0.000 3.131) 3.608 2.306 ( -1.028 0.000 2.113) 2.350 2.323 ( -0.597 0.000 -1.763) 1.861 2.356 ( -1.101 0.000 -1.330) 1.726 2.501 ( 3.230 -0.000 3.963) 5.113 2.559 ( 1.187 -0.000 3.493) 3.690 2.686 ( -0.803 0.000 -7.334) 7.378 2.687 ( -3.057 0.000 -1.046) 3.231 2.708 ( 0.132 -0.000 1.027) 1.036 2.715 ( 0.960 -0.000 -0.095) 0.965 2.742 ( -1.396 0.000 0.672) 1.549 2.843 ( 0.978 -0.000 -10.514) 10.560 2.906 ( 0.349 -0.000 0.607) 0.700 2.921 ( 0.008 -0.000 -0.989) 0.989 3.352 ( 1.323 -0.000 1.054) 1.692 3.375 ( 1.858 -0.000 -0.865) 2.050 3.390 ( -1.073 0.000 2.275) 2.515 3.423 ( -0.380 0.000 -0.628) 0.734 3.483 ( -2.270 0.000 3.279) 3.988 3.541 ( -2.073 0.000 -2.068) 2.928 3.811 ( -2.559 0.000 0.583) 2.624 3.817 ( -2.372 0.000 -0.022) 2.372 3.901 ( -9.189 0.000 2.192) 9.447 3.946 ( -8.210 0.000 -1.887) 8.425 4.017 ( -6.948 0.000 1.890) 7.201 4.051 ( -5.528 0.000 -1.131) 5.643 4.254 ( -1.276 0.000 -0.067) 1.278 4.254 ( -1.304 0.000 -0.109) 1.309 5.810 ( -2.335 0.000 5.695) 6.156 5.936 ( -3.110 0.000 -5.381) 6.215 6.568 ( -5.749 0.000 0.022) 5.749 6.572 ( -4.381 0.000 -0.320) 4.392 6.791 ( -3.402 0.000 0.727) 3.479 6.813 ( -2.467 0.000 -1.269) 2.774 7.122 ( -2.856 0.000 2.646) 3.893 7.172 ( -2.961 0.000 -1.823) 3.477 7.370 ( -5.165 0.000 0.634) 5.204 7.392 ( -4.155 0.000 -1.504) 4.418 7.514 ( -4.535 0.000 2.142) 5.015 7.545 ( -4.879 0.000 -0.721) 4.932 7.745 ( 0.267 -0.000 0.040) 0.270 7.756 ( 0.469 -0.000 -0.816) 0.942 8.027 ( 1.388 -0.000 1.061) 1.747 8.044 ( 0.317 -0.000 -0.518) 0.607 8.072 ( 2.957 -0.000 -0.928) 3.099 8.076 ( 2.285 -0.000 -1.184) 2.573 8.157 ( -0.572 0.000 3.428) 3.475 8.202 ( 0.584 -0.000 -0.751) 0.952 8.361 ( 2.023 -0.000 1.222) 2.363 8.398 ( 2.711 -0.000 -2.048) 3.397 9.310 ( -4.937 0.000 0.078) 4.938 9.317 ( -4.214 0.000 -0.527) 4.247 9.431 ( -2.864 0.000 0.136) 2.867 9.434 ( -2.763 0.000 -0.131) 2.766 9.643 ( -5.348 0.000 1.454) 5.542 9.677 ( -4.746 0.000 -1.573) 5.000 10.078 ( -0.403 0.000 0.733) 0.837 10.090 ( -0.526 0.000 -0.328) 0.620 ======================= Grid point 233 (88/98) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -3.083 -0.063 3.856) 4.938 1.550 ( -3.803 0.053 -2.986) 4.836 1.760 ( -5.663 0.571 3.227) 6.543 1.839 ( -4.018 -0.528 -3.164) 5.142 1.923 ( -2.636 -1.119 0.910) 3.005 1.958 ( -1.382 -2.111 -1.772) 3.083 1.985 ( -6.037 0.960 4.441) 7.556 2.044 ( -7.011 -0.476 -0.330) 7.035 2.195 ( -5.023 0.287 4.310) 6.625 2.263 ( -3.600 2.396 -1.908) 4.727 2.324 ( 0.219 -2.568 1.057) 2.786 2.357 ( -0.122 -1.521 -0.835) 1.739 2.531 ( -2.176 2.939 2.386) 4.367 2.565 ( -0.697 -2.215 3.332) 4.062 2.586 ( -6.082 0.348 -0.972) 6.169 2.673 ( -0.009 -0.762 -4.795) 4.855 2.702 ( -0.398 2.168 1.827) 2.863 2.731 ( 0.150 -1.617 2.052) 2.617 2.748 ( 1.221 -1.571 -2.150) 2.930 2.847 ( -1.238 0.559 -7.038) 7.168 2.899 ( -0.981 0.582 -0.293) 1.178 2.919 ( 0.358 -0.176 -4.872) 4.889 3.293 ( -8.246 -0.499 2.513) 8.635 3.310 ( -6.557 -0.815 0.062) 6.608 3.396 ( 0.291 -0.044 3.673) 3.685 3.457 ( 0.865 0.557 -1.692) 1.980 3.468 ( 0.318 -0.330 -0.565) 0.728 3.479 ( -3.567 0.152 -1.058) 3.724 3.700 ( -9.622 0.242 2.394) 9.919 3.715 ( -7.312 0.119 0.475) 7.328 3.722 ( -7.385 0.490 0.488) 7.417 3.760 ( -9.663 0.584 -2.222) 9.932 3.876 ( -6.498 0.059 3.712) 7.484 3.944 ( -4.663 0.186 -2.441) 5.267 4.221 ( -1.563 0.244 0.099) 1.585 4.225 ( -1.084 0.151 -0.260) 1.125 5.774 ( -1.269 -0.328 4.314) 4.509 5.864 ( -3.857 0.015 -3.592) 5.270 6.443 ( -6.096 -0.370 0.876) 6.170 6.466 ( -5.369 -0.212 -1.147) 5.495 6.738 ( -2.555 -0.924 1.326) 3.023 6.781 ( -1.514 -0.719 -2.651) 3.136 7.053 ( -4.230 0.014 2.140) 4.741 7.086 ( -5.694 0.176 -0.984) 5.781 7.269 ( -4.279 0.503 1.654) 4.615 7.316 ( -2.963 0.359 -2.703) 4.027 7.430 ( -3.538 -0.232 1.806) 3.979 7.451 ( -4.323 -0.382 -0.202) 4.345 7.752 ( 0.529 0.446 0.260) 0.739 7.769 ( 0.869 0.162 -1.158) 1.457 8.050 ( 0.981 -0.049 0.720) 1.218 8.062 ( 1.159 -0.232 -0.434) 1.259 8.122 ( 2.315 2.348 0.098) 3.299 8.127 ( 2.847 1.034 -0.726) 3.115 8.182 ( 2.554 -3.111 3.486) 5.324 8.243 ( 3.025 -2.385 -1.734) 4.225 8.407 ( 2.037 -1.236 1.808) 2.991 8.458 ( 2.830 -0.991 -2.711) 4.042 9.183 ( -7.679 0.108 0.891) 7.732 9.210 ( -6.404 0.178 -1.495) 6.579 9.353 ( -5.062 0.009 0.289) 5.070 9.359 ( -4.736 -0.014 -0.291) 4.745 9.517 ( -6.850 0.309 1.865) 7.106 9.558 ( -6.798 0.243 -1.760) 7.027 10.077 ( 0.450 0.054 0.305) 0.546 10.080 ( -0.150 0.050 0.039) 0.163 ======================= Grid point 234 (89/98) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -3.470 0.185 2.862) 4.502 1.457 ( -5.543 0.282 -1.317) 5.704 1.636 ( -5.006 6.701 2.579) 8.753 1.731 ( -6.068 3.214 -5.414) 8.744 1.860 ( -4.834 4.212 5.129) 8.210 1.908 ( -1.060 -5.643 3.232) 6.589 1.925 ( -4.037 -0.529 -1.719) 4.420 1.988 ( 0.777 -4.984 -1.817) 5.362 2.101 ( -3.851 0.239 3.525) 5.226 2.161 ( -4.840 3.502 -2.158) 6.352 2.308 ( -6.428 -3.281 3.015) 7.821 2.348 ( -3.734 -2.286 3.405) 5.547 2.404 ( -9.096 -0.827 -3.069) 9.635 2.428 ( -3.078 -1.686 -3.046) 4.647 2.582 ( -1.062 -0.983 2.617) 2.991 2.677 ( -0.727 0.067 -2.601) 2.701 2.682 ( 0.302 3.407 1.823) 3.876 2.745 ( 0.325 -0.414 2.124) 2.188 2.777 ( 0.307 -2.776 -2.436) 3.706 2.798 ( -2.665 0.223 -2.444) 3.623 2.847 ( -3.814 3.202 -0.590) 5.015 2.906 ( -3.664 -0.923 -5.706) 6.843 3.100 ( -11.112 -0.961 1.712) 11.285 3.130 ( -9.730 -2.960 -1.256) 10.248 3.313 ( -8.129 4.066 3.564) 9.763 3.378 ( -6.199 4.926 -2.268) 8.237 3.437 ( -1.986 -0.166 0.435) 2.040 3.467 ( -2.762 0.517 -1.607) 3.237 3.519 ( -11.245 0.554 0.661) 11.278 3.537 ( -9.914 0.103 -0.559) 9.931 3.557 ( -5.805 0.681 2.247) 6.262 3.600 ( -4.691 -1.948 -2.021) 5.467 3.778 ( -3.575 -1.102 5.609) 6.742 3.867 ( -3.312 -0.622 -2.929) 4.465 4.205 ( 0.249 -0.023 0.916) 0.949 4.227 ( 1.425 -0.196 -1.048) 1.780 5.762 ( -0.170 -0.256 1.584) 1.614 5.796 ( -2.771 -0.380 -1.367) 3.113 6.350 ( -3.561 -0.971 1.793) 4.103 6.381 ( -3.387 -1.164 -0.947) 3.704 6.695 ( -2.404 -0.869 1.892) 3.180 6.750 ( -2.231 -0.530 -2.950) 3.736 6.935 ( -7.862 0.434 0.384) 7.883 6.940 ( -8.817 0.390 -0.104) 8.826 7.221 ( -0.067 0.200 1.732) 1.745 7.277 ( -0.837 0.652 -3.291) 3.458 7.383 ( -1.441 0.570 1.430) 2.109 7.391 ( -1.303 -0.003 0.565) 1.420 7.761 ( 1.008 1.596 0.624) 1.988 7.787 ( 1.287 0.924 -1.585) 2.242 8.067 ( 0.701 -0.156 1.001) 1.232 8.085 ( 0.999 -0.362 -0.621) 1.231 8.156 ( 2.821 2.933 1.311) 4.275 8.177 ( 2.919 1.340 -0.846) 3.322 8.270 ( 3.702 -4.456 3.690) 6.869 8.340 ( 4.279 -4.489 -2.008) 6.519 8.451 ( 1.123 -2.773 1.951) 3.572 8.515 ( 1.895 -2.209 -3.790) 4.778 9.014 ( -8.918 0.532 2.037) 9.163 9.069 ( -7.243 0.799 -2.996) 7.879 9.232 ( -6.706 0.212 1.017) 6.786 9.250 ( -6.039 0.065 -0.625) 6.071 9.381 ( -6.455 0.672 1.923) 6.769 9.422 ( -6.360 0.292 -1.775) 6.609 10.087 ( 1.059 -0.007 0.948) 1.421 10.104 ( 1.975 -0.589 -0.569) 2.138 ======================= Grid point 235 (90/98) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -6.597 3.677 2.988) 8.122 1.351 ( -3.561 0.521 -0.122) 3.601 1.485 ( -5.264 11.709 2.249) 13.033 1.583 ( -5.424 7.312 -5.362) 10.566 1.735 ( -5.429 6.032 5.307) 9.696 1.825 ( -6.780 2.521 -3.141) 7.886 1.916 ( -2.870 -6.064 2.683) 7.225 1.989 ( -5.259 1.747 -1.698) 5.796 2.056 ( 1.103 -0.141 1.542) 1.901 2.091 ( -1.194 -2.992 1.875) 3.727 2.132 ( -6.729 -1.925 0.652) 7.029 2.195 ( -7.204 -4.498 -1.033) 8.556 2.349 ( -2.589 -1.596 0.849) 3.158 2.431 ( -0.824 -3.304 -4.931) 5.993 2.510 ( -4.587 5.524 5.684) 9.158 2.622 ( -4.684 2.236 -2.656) 5.830 2.674 ( -0.873 3.298 0.872) 3.521 2.694 ( -7.533 0.710 0.543) 7.586 2.718 ( -5.002 -0.343 0.561) 5.045 2.764 ( -0.603 -0.031 -2.944) 3.005 2.783 ( -2.849 -1.140 -1.849) 3.582 2.798 ( -1.545 -1.537 -1.449) 2.617 2.931 ( -5.113 0.650 3.853) 6.435 3.011 ( -4.799 -0.379 -3.369) 5.876 3.105 ( -8.707 6.328 2.520) 11.055 3.172 ( -11.092 6.955 -3.554) 13.566 3.222 ( -14.687 0.611 0.799) 14.722 3.254 ( -11.581 1.369 -2.391) 11.904 3.411 ( -5.278 -4.329 1.028) 6.904 3.452 ( -2.868 0.034 -1.595) 3.282 3.480 ( -1.121 0.442 3.510) 3.711 3.555 ( -2.248 -2.826 -2.565) 4.430 3.748 ( -0.652 -2.595 4.943) 5.621 3.819 ( -2.115 -1.972 -2.229) 3.651 4.230 ( 1.874 -0.707 1.958) 2.801 4.275 ( 2.759 -0.520 -1.955) 3.421 5.761 ( -0.249 -0.628 0.255) 0.722 5.775 ( 0.318 -1.021 -0.564) 1.209 6.310 ( -1.202 -0.877 2.639) 3.030 6.349 ( -0.900 -2.364 -0.636) 2.609 6.645 ( -2.981 0.272 1.822) 3.504 6.685 ( -4.529 0.743 -1.458) 4.816 6.743 ( -10.140 0.761 0.035) 10.169 6.746 ( -10.317 0.817 -0.233) 10.352 7.242 ( 1.115 0.439 -0.989) 1.553 7.272 ( 0.531 -0.100 -3.237) 3.282 7.378 ( 2.343 2.448 2.383) 4.142 7.397 ( 2.132 2.446 0.469) 3.279 7.772 ( 1.364 3.120 1.131) 3.588 7.810 ( 1.961 1.900 -2.241) 3.532 8.085 ( 1.199 -0.064 1.200) 1.698 8.109 ( 1.339 -0.167 -0.965) 1.659 8.199 ( 2.950 2.261 2.237) 4.338 8.229 ( 2.745 0.084 -0.890) 2.887 8.361 ( 2.479 -4.197 5.093) 7.050 8.438 ( 2.224 -4.459 -1.332) 5.158 8.478 ( -0.378 -3.744 1.435) 4.027 8.557 ( 1.120 -2.999 -5.732) 6.565 8.839 ( -7.812 0.946 3.294) 8.530 8.925 ( -6.320 1.345 -4.851) 8.080 9.107 ( -5.173 0.599 2.009) 5.582 9.136 ( -4.929 0.222 -0.943) 5.023 9.255 ( -5.908 0.478 2.460) 6.418 9.308 ( -4.897 0.357 -2.287) 5.417 10.121 ( 2.058 -0.674 2.117) 3.028 10.160 ( 2.907 -1.858 -1.421) 3.731 ======================= Grid point 236 (91/98) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -5.125 8.503 7.982) 12.738 1.245 ( -7.401 11.055 1.769) 13.421 1.317 ( -3.717 3.581 -1.014) 5.260 1.417 ( -6.482 10.107 -8.615) 14.778 1.601 ( -4.157 4.904 1.692) 6.648 1.640 ( -6.952 2.137 -0.883) 7.327 1.855 ( -1.232 4.779 4.534) 6.702 1.929 ( -0.835 1.599 -1.916) 2.631 2.043 ( -1.445 -2.889 3.424) 4.707 2.073 ( 0.959 5.865 1.187) 6.060 2.134 ( 0.587 -2.825 -0.795) 2.993 2.173 ( 0.016 -1.640 -3.266) 3.655 2.238 ( -6.276 3.062 5.759) 9.051 2.345 ( -8.390 4.374 0.729) 9.490 2.407 ( -2.647 0.609 -1.674) 3.190 2.496 ( -3.403 6.733 -3.010) 8.123 2.569 ( -1.074 1.600 2.027) 2.797 2.629 ( -0.702 1.601 -3.129) 3.584 2.690 ( -1.273 -0.142 1.212) 1.764 2.737 ( -1.953 1.019 -3.371) 4.027 2.762 ( -0.908 -0.199 1.054) 1.405 2.790 ( -0.763 0.427 -1.749) 1.955 2.840 ( -4.195 2.816 1.971) 5.423 2.881 ( -9.528 3.857 -2.035) 10.479 2.933 ( -5.733 -1.121 -0.041) 5.842 2.940 ( -5.352 -1.475 -0.654) 5.590 2.991 ( -6.329 -0.860 2.418) 6.829 3.067 ( -6.944 0.823 -4.987) 8.588 3.332 ( -3.984 -0.231 3.512) 5.316 3.381 ( -2.442 1.361 2.209) 3.563 3.484 ( 0.285 -0.218 -0.062) 0.364 3.546 ( -0.947 -6.879 -4.361) 8.200 3.765 ( 0.419 -2.829 3.446) 4.478 3.809 ( -0.537 -3.433 -1.228) 3.686 4.275 ( 1.693 -1.505 2.410) 3.307 4.328 ( 1.960 -0.715 -2.260) 3.076 5.774 ( 0.734 -1.756 1.226) 2.264 5.800 ( 1.098 -2.495 -0.344) 2.747 6.306 ( 0.239 -0.806 3.454) 3.555 6.366 ( 0.959 -2.899 -1.250) 3.299 6.530 ( -7.989 2.761 0.273) 8.457 6.535 ( -8.448 2.292 -0.088) 8.754 6.580 ( -3.540 2.021 0.796) 4.153 6.594 ( -4.872 1.857 -0.298) 5.222 7.249 ( 0.309 0.678 -0.999) 1.246 7.281 ( 0.002 -0.489 -3.111) 3.149 7.413 ( 2.514 6.274 2.176) 7.100 7.452 ( 4.396 3.541 -1.567) 5.858 7.780 ( 1.445 3.872 2.265) 4.712 7.847 ( 2.875 2.425 -4.048) 5.526 8.118 ( 2.015 -0.165 1.172) 2.337 8.142 ( 2.043 -0.018 -1.009) 2.279 8.247 ( 2.735 0.718 2.928) 4.070 8.277 ( 1.297 -1.507 -0.651) 2.093 8.397 ( -0.795 -2.151 6.151) 6.565 8.457 ( -1.359 -1.308 -0.562) 1.968 8.471 ( -2.518 -3.160 1.601) 4.346 8.588 ( -0.299 -2.090 -6.847) 7.166 8.722 ( -3.136 -0.344 3.269) 4.543 8.821 ( -3.013 0.329 -6.089) 6.802 9.033 ( -2.024 0.380 1.869) 2.781 9.060 ( -2.671 0.093 -0.916) 2.825 9.147 ( -4.418 0.177 4.370) 6.217 9.229 ( -2.634 0.569 -3.160) 4.153 10.168 ( 1.818 -1.802 3.565) 4.389 10.232 ( 2.411 -3.763 -2.136) 4.953 ======================= Grid point 237 (92/98) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 11.672 11.606) 16.460 1.066 ( 0.000 13.325 7.366) 15.226 1.242 ( 0.000 9.182 -8.484) 12.502 1.296 ( 0.000 6.070 -12.348) 13.760 1.522 ( 0.000 4.808 3.496) 5.945 1.570 ( 0.000 4.960 -0.614) 4.997 1.822 ( 0.000 5.103 5.157) 7.255 1.917 ( 0.000 1.810 -3.508) 3.948 1.998 ( 0.000 19.971 7.352) 21.282 2.030 ( 0.000 4.281 1.560) 4.557 2.111 ( 0.000 5.293 5.848) 7.888 2.184 ( -0.000 -2.484 0.311) 2.504 2.193 ( -0.000 -0.257 -0.478) 0.543 2.209 ( -0.000 -2.807 -0.081) 2.808 2.372 ( 0.000 2.728 -4.008) 4.848 2.435 ( 0.000 5.915 -8.004) 9.952 2.590 ( 0.000 3.791 1.656) 4.137 2.615 ( -0.000 -1.775 1.082) 2.079 2.638 ( -0.000 -1.877 -0.929) 2.094 2.687 ( 0.000 5.496 -6.503) 8.514 2.733 ( 0.000 0.469 1.035) 1.136 2.756 ( 0.000 1.055 -1.025) 1.472 2.765 ( 0.000 1.183 1.793) 2.148 2.803 ( -0.000 -0.651 -1.311) 1.464 2.912 ( -0.000 -4.564 2.513) 5.210 2.930 ( -0.000 -0.966 0.183) 0.983 2.934 ( -0.000 -0.714 -0.177) 0.736 2.987 ( -0.000 -3.977 -4.208) 5.790 3.272 ( 0.000 5.744 5.743) 8.123 3.352 ( 0.000 0.930 -0.123) 0.939 3.488 ( -0.000 -0.358 2.627) 2.651 3.581 ( -0.000 -6.782 -5.576) 8.780 3.786 ( -0.000 -3.239 2.946) 4.378 3.829 ( -0.000 -4.957 -1.597) 5.208 4.304 ( -0.000 -2.043 2.305) 3.080 4.353 ( -0.000 -0.978 -2.076) 2.295 5.798 ( -0.000 -2.685 3.372) 4.311 5.837 ( -0.000 -5.407 0.103) 5.408 6.319 ( -0.000 -1.192 4.371) 4.531 6.409 ( -0.000 -4.108 -2.298) 4.707 6.412 ( 0.000 4.656 0.179) 4.660 6.416 ( 0.000 4.546 -0.182) 4.550 6.520 ( 0.000 3.397 0.124) 3.399 6.523 ( 0.000 3.456 -0.120) 3.458 7.249 ( 0.000 0.892 -0.611) 1.081 7.281 ( 0.000 0.222 -2.579) 2.588 7.400 ( 0.000 7.617 3.275) 8.291 7.478 ( 0.000 4.091 -4.399) 6.007 7.776 ( 0.000 4.121 2.901) 5.040 7.871 ( 0.000 3.211 -6.579) 7.321 8.149 ( -0.000 -0.489 1.224) 1.318 8.175 ( -0.000 -0.373 -1.051) 1.116 8.288 ( -0.000 -2.016 0.401) 2.056 8.298 ( -0.000 -1.934 -0.445) 1.984 8.381 ( -0.000 -0.588 11.219) 11.234 8.429 ( 0.000 0.161 0.602) 0.624 8.442 ( 0.000 0.270 -0.586) 0.645 8.578 ( 0.000 0.173 -7.399) 7.401 8.704 ( -0.000 -2.028 3.168) 3.762 8.806 ( -0.000 -2.082 -5.838) 6.198 9.013 ( 0.000 0.034 0.806) 0.807 9.031 ( 0.000 0.080 -0.779) 0.783 9.098 ( 0.000 0.267 6.340) 6.346 9.200 ( 0.000 0.748 -3.566) 3.644 10.203 ( -0.000 -3.046 4.955) 5.817 10.285 ( -0.000 -5.391 -2.567) 5.971 ======================= Grid point 246 (93/98) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -3.287 0.000 2.950) 4.417 1.459 ( -5.407 0.000 -1.435) 5.594 1.686 ( -2.544 0.000 1.133) 2.784 1.750 ( -4.875 0.000 -4.104) 6.373 1.851 ( -4.590 0.000 1.801) 4.931 1.901 ( -3.010 0.000 3.113) 4.330 1.929 ( -0.651 0.000 -1.558) 1.688 1.950 ( -1.617 0.000 2.142) 2.683 2.101 ( -3.851 0.000 4.048) 5.588 2.188 ( -4.281 0.000 -3.788) 5.716 2.284 ( -6.427 0.000 3.694) 7.413 2.333 ( -3.425 0.000 3.446) 4.859 2.398 ( -9.635 0.000 -3.656) 10.306 2.419 ( -4.963 0.000 -2.282) 5.462 2.576 ( 0.362 -0.000 2.492) 2.518 2.676 ( -0.186 0.000 -3.485) 3.490 2.719 ( 0.054 -0.000 1.450) 1.451 2.721 ( -0.053 0.000 3.860) 3.861 2.764 ( 0.757 -0.000 -2.084) 2.218 2.800 ( -2.967 0.000 -2.912) 4.157 2.877 ( -2.268 0.000 -1.716) 2.844 2.890 ( -4.861 0.000 -4.986) 6.964 3.100 ( -12.463 0.000 0.265) 12.466 3.107 ( -8.197 0.000 -0.147) 8.199 3.338 ( -6.688 0.000 4.083) 7.836 3.414 ( -4.710 0.000 -3.505) 5.871 3.429 ( -1.498 0.000 1.762) 2.313 3.468 ( -2.750 0.000 -1.639) 3.201 3.522 ( -12.470 0.000 0.339) 12.474 3.536 ( -11.750 0.000 -0.490) 11.760 3.563 ( -4.734 0.000 1.234) 4.892 3.587 ( -5.429 0.000 -1.336) 5.591 3.771 ( -3.950 0.000 5.834) 7.045 3.864 ( -3.571 0.000 -2.990) 4.658 4.205 ( 0.099 -0.000 0.874) 0.879 4.226 ( 1.326 -0.000 -1.000) 1.661 5.761 ( -0.026 0.000 1.501) 1.501 5.794 ( -2.976 0.000 -1.394) 3.286 6.344 ( -3.523 0.000 1.801) 3.956 6.375 ( -3.576 0.000 -0.859) 3.678 6.690 ( -2.092 0.000 1.946) 2.857 6.747 ( -1.955 0.000 -3.084) 3.652 6.937 ( -7.777 0.000 0.408) 7.788 6.942 ( -8.797 0.000 -0.074) 8.798 7.222 ( -0.215 0.000 1.857) 1.869 7.280 ( -0.908 0.000 -3.390) 3.510 7.387 ( -1.746 0.000 1.044) 2.034 7.389 ( -0.324 0.000 0.982) 1.034 7.771 ( 1.247 -0.000 0.457) 1.328 7.793 ( 1.446 -0.000 -1.397) 2.010 8.066 ( 0.743 -0.000 0.778) 1.076 8.083 ( 1.039 -0.000 -0.696) 1.250 8.178 ( 2.558 -0.000 0.530) 2.612 8.191 ( 2.826 -0.000 -0.731) 2.919 8.236 ( 3.828 -0.000 4.585) 5.973 8.311 ( 4.368 -0.000 -1.879) 4.755 8.435 ( 1.107 -0.000 2.013) 2.298 8.502 ( 1.917 -0.000 -4.002) 4.438 9.017 ( -8.832 0.000 2.099) 9.078 9.073 ( -7.134 0.000 -3.070) 7.766 9.234 ( -6.633 0.000 0.962) 6.702 9.250 ( -6.000 0.000 -0.602) 6.030 9.385 ( -6.497 0.000 1.857) 6.758 9.424 ( -6.429 0.000 -1.635) 6.634 10.087 ( 0.939 -0.000 0.781) 1.221 10.100 ( 1.805 -0.000 -0.425) 1.855 ======================= Grid point 248 (94/98) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -5.359 1.642 1.722) 5.863 1.351 ( -3.054 -0.354 0.734) 3.161 1.613 ( -4.301 10.053 0.459) 10.944 1.650 ( -3.300 3.713 -1.741) 5.264 1.745 ( -7.495 -4.986 0.911) 9.048 1.826 ( -7.474 -1.471 -5.116) 9.176 1.903 ( 0.519 4.917 5.307) 7.253 1.976 ( 0.184 -4.283 -0.381) 4.304 2.057 ( -4.574 -0.805 3.356) 5.730 2.079 ( -3.483 2.054 3.169) 5.137 2.118 ( -3.309 -0.918 -0.459) 3.465 2.152 ( -7.563 -2.626 -0.658) 8.033 2.337 ( -1.796 -0.453 -0.921) 2.068 2.398 ( -0.333 -1.890 -4.426) 4.824 2.556 ( -2.275 2.346 4.785) 5.794 2.638 ( -4.431 0.673 -1.371) 4.687 2.691 ( -2.857 0.370 2.503) 3.817 2.704 ( -4.061 -0.433 1.583) 4.380 2.719 ( -7.155 1.407 -0.783) 7.334 2.766 ( -1.145 0.281 -3.495) 3.688 2.770 ( -2.522 -0.810 -2.748) 3.817 2.784 ( -1.491 -0.942 -1.387) 2.244 2.933 ( -3.465 -0.058 3.212) 4.725 3.007 ( -3.496 -0.197 -3.566) 4.998 3.184 ( -7.980 6.248 3.849) 10.842 3.218 ( -14.262 1.051 0.323) 14.304 3.225 ( -16.243 -0.097 0.154) 16.244 3.306 ( -6.806 7.406 -5.644) 11.534 3.350 ( -8.655 -4.606 1.097) 9.866 3.402 ( -3.807 -7.384 -4.903) 9.647 3.501 ( -1.782 1.831 3.061) 3.987 3.537 ( -1.865 -0.875 -0.465) 2.112 3.728 ( -0.605 -0.882 5.583) 5.685 3.805 ( -2.331 -0.602 -2.299) 3.329 4.225 ( 1.643 -0.255 2.064) 2.650 4.271 ( 2.746 -0.182 -1.981) 3.390 5.754 ( -1.093 -0.447 0.147) 1.190 5.770 ( 0.785 -0.087 -1.332) 1.548 6.304 ( -0.814 -0.182 2.525) 2.659 6.329 ( -1.270 -1.033 0.251) 1.657 6.648 ( -2.282 0.172 1.845) 2.940 6.692 ( -3.646 0.342 -1.778) 4.071 6.749 ( -10.140 0.283 0.166) 10.145 6.753 ( -10.133 0.356 -0.201) 10.141 7.244 ( 1.412 0.079 -1.208) 1.860 7.270 ( -0.212 -0.115 -2.995) 3.004 7.395 ( 3.109 0.749 2.638) 4.146 7.417 ( 3.008 0.972 0.383) 3.184 7.798 ( 1.717 1.293 0.541) 2.217 7.824 ( 1.867 0.541 -1.662) 2.557 8.085 ( 1.258 0.009 1.024) 1.622 8.107 ( 1.461 -0.105 -0.955) 1.748 8.222 ( 2.252 1.201 0.887) 2.702 8.236 ( 2.195 1.121 -0.438) 2.503 8.319 ( 3.179 -2.740 6.136) 7.434 8.399 ( 3.161 -2.061 -0.825) 3.863 8.450 ( 0.115 -1.181 1.218) 1.701 8.535 ( 1.353 -0.937 -6.239) 6.452 8.846 ( -7.900 0.337 3.414) 8.613 8.936 ( -6.420 0.477 -5.002) 8.153 9.111 ( -5.193 0.179 1.811) 5.503 9.138 ( -4.954 0.061 -0.877) 5.032 9.259 ( -6.107 0.194 2.533) 6.614 9.311 ( -4.885 0.082 -2.091) 5.314 10.116 ( 1.803 -0.217 1.624) 2.436 10.146 ( 2.488 -0.655 -1.072) 2.787 ======================= Grid point 249 (95/98) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.939 4.397 5.757) 8.247 1.315 ( -0.764 1.962 -2.702) 3.425 1.384 ( -10.965 7.133 4.919) 13.975 1.521 ( -8.439 7.912 -6.851) 13.445 1.644 ( -4.563 1.665 0.383) 4.872 1.659 ( -3.146 1.529 -1.647) 3.867 1.901 ( 0.599 3.330 3.354) 4.765 1.945 ( -0.895 1.279 -0.684) 1.704 1.997 ( -0.942 -4.267 4.292) 6.125 2.085 ( -2.144 -3.566 -3.096) 5.186 2.124 ( 3.942 2.250 1.118) 4.674 2.142 ( 1.314 -2.639 0.830) 3.063 2.272 ( -3.823 2.418 -0.862) 4.605 2.348 ( -5.966 -2.284 -5.975) 8.747 2.478 ( -2.000 8.157 7.546) 11.290 2.544 ( -0.624 1.753 1.295) 2.267 2.586 ( -1.735 1.331 0.585) 2.264 2.647 ( -1.345 1.614 -2.704) 3.425 2.692 ( -0.135 0.346 1.315) 1.366 2.737 ( -1.525 -1.154 -2.296) 2.988 2.759 ( -0.907 -0.159 0.573) 1.085 2.788 ( 0.078 -0.456 -1.700) 1.762 2.885 ( -3.421 3.720 2.098) 5.472 2.904 ( -11.732 -0.217 -0.064) 11.735 2.924 ( -9.378 -1.336 -0.047) 9.473 2.942 ( -5.111 2.210 -1.370) 5.735 3.004 ( -7.045 4.729 3.238) 9.082 3.120 ( -6.833 8.253 -7.846) 13.280 3.255 ( -4.776 -10.390 4.407) 12.255 3.394 ( -1.493 -5.665 -7.735) 9.704 3.454 ( -1.538 0.076 3.347) 3.684 3.506 ( -1.454 -0.889 -0.867) 1.912 3.742 ( 0.802 -1.311 3.948) 4.236 3.782 ( -0.631 -1.439 -0.752) 1.742 4.261 ( 1.456 -0.849 2.825) 3.290 4.322 ( 1.948 -0.344 -2.506) 3.192 5.752 ( 0.106 -1.693 0.820) 1.884 5.789 ( 0.904 -0.156 -2.375) 2.546 6.302 ( 0.374 0.102 3.339) 3.361 6.335 ( 0.681 -2.476 0.756) 2.677 6.557 ( -7.460 1.814 0.106) 7.679 6.559 ( -7.724 1.684 -0.010) 7.906 6.598 ( -2.562 1.125 0.707) 2.886 6.611 ( -3.979 1.082 -0.318) 4.136 7.256 ( 0.209 0.563 -1.903) 1.996 7.273 ( 0.048 -0.834 -3.028) 3.141 7.470 ( 3.293 3.640 1.504) 5.134 7.484 ( 4.870 2.044 0.310) 5.290 7.818 ( 1.312 2.697 1.228) 3.241 7.862 ( 2.161 0.324 -2.735) 3.500 8.117 ( 1.893 -0.026 1.192) 2.237 8.142 ( 1.906 -0.080 -1.005) 2.157 8.254 ( 1.289 0.230 1.036) 1.669 8.265 ( 0.855 -0.321 -0.148) 0.925 8.374 ( 0.797 -1.833 8.189) 8.429 8.438 ( -0.182 -1.571 0.498) 1.658 8.451 ( -0.596 -0.817 0.002) 1.011 8.569 ( 0.901 -1.179 -7.594) 7.738 8.720 ( -3.999 0.034 3.557) 5.352 8.826 ( -3.943 0.373 -6.437) 7.558 9.036 ( -2.283 0.163 1.641) 2.816 9.061 ( -2.734 0.041 -0.874) 2.871 9.149 ( -4.456 0.144 4.642) 6.436 9.233 ( -2.679 0.202 -3.128) 4.123 10.153 ( 1.505 -0.854 2.497) 3.038 10.199 ( 1.921 -1.963 -1.575) 3.166 ======================= Grid point 250 (96/98) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 8.005 9.299) 12.270 1.192 ( 0.000 8.759 5.776) 10.492 1.330 ( 0.000 6.141 -6.563) 8.988 1.348 ( 0.000 3.295 -8.468) 9.086 1.576 ( 0.000 4.942 2.992) 5.777 1.625 ( 0.000 4.983 -1.806) 5.300 1.879 ( 0.000 4.772 3.286) 5.794 1.936 ( 0.000 1.444 -1.933) 2.413 2.017 ( -0.000 -3.627 3.173) 4.819 2.089 ( -0.000 -3.401 -3.348) 4.773 2.153 ( -0.000 -2.879 1.314) 3.165 2.179 ( 0.000 5.610 4.249) 7.037 2.189 ( -0.000 -0.433 -1.851) 1.901 2.272 ( 0.000 8.331 -1.228) 8.421 2.402 ( 0.000 7.787 4.438) 8.963 2.533 ( 0.000 9.005 -3.684) 9.730 2.597 ( -0.000 -1.309 1.046) 1.676 2.618 ( -0.000 -1.517 -0.827) 1.728 2.650 ( 0.000 5.872 1.954) 6.189 2.734 ( 0.000 1.360 -1.784) 2.244 2.738 ( 0.000 0.337 1.308) 1.351 2.767 ( 0.000 0.765 -1.259) 1.474 2.769 ( -0.000 -1.574 -0.380) 1.619 2.792 ( -0.000 -0.963 -1.201) 1.539 2.874 ( -0.000 -0.640 3.187) 3.251 2.921 ( -0.000 -0.657 0.281) 0.714 2.927 ( -0.000 -0.508 -0.280) 0.579 2.989 ( 0.000 5.736 -8.605) 10.341 3.264 ( -0.000 -8.096 5.430) 9.748 3.375 ( 0.000 3.714 0.800) 3.799 3.472 ( -0.000 -6.696 -4.205) 7.907 3.498 ( -0.000 -3.005 -1.702) 3.454 3.759 ( -0.000 -1.664 3.240) 3.643 3.789 ( -0.000 -2.390 -0.272) 2.405 4.284 ( -0.000 -1.455 2.871) 3.219 4.344 ( -0.000 -0.555 -2.506) 2.567 5.768 ( -0.000 -2.793 1.026) 2.975 5.802 ( -0.000 -1.046 -1.466) 1.801 6.309 ( -0.000 -0.381 4.180) 4.197 6.366 ( -0.000 -3.491 0.116) 3.493 6.458 ( 0.000 3.307 0.130) 3.310 6.460 ( 0.000 3.224 -0.133) 3.227 6.554 ( 0.000 2.498 0.150) 2.503 6.557 ( 0.000 2.543 -0.147) 2.547 7.255 ( 0.000 0.437 -1.553) 1.614 7.278 ( -0.000 -0.668 -2.939) 3.014 7.478 ( 0.000 5.796 2.449) 6.292 7.523 ( 0.000 3.562 -1.980) 4.075 7.816 ( 0.000 3.040 2.336) 3.834 7.889 ( 0.000 0.271 -4.609) 4.617 8.144 ( -0.000 -0.366 1.270) 1.321 8.170 ( -0.000 -0.460 -1.012) 1.111 8.268 ( -0.000 -1.470 0.439) 1.534 8.278 ( -0.000 -1.402 -0.485) 1.484 8.378 ( 0.000 0.052 10.891) 10.891 8.430 ( 0.000 0.057 0.648) 0.651 8.444 ( 0.000 0.132 -0.633) 0.646 8.576 ( -0.000 -0.373 -6.756) 6.766 8.689 ( -0.000 -0.796 2.264) 2.400 8.790 ( -0.000 -0.886 -6.643) 6.702 9.013 ( 0.000 0.025 0.827) 0.827 9.032 ( 0.000 0.057 -0.798) 0.800 9.100 ( 0.000 0.169 6.456) 6.459 9.206 ( 0.000 0.269 -3.650) 3.659 10.177 ( -0.000 -1.612 3.287) 3.661 10.235 ( -0.000 -3.362 -1.945) 3.884 ======================= Grid point 261 (97/98) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -3.522 0.000 4.891) 6.027 1.324 ( 0.178 -0.000 -2.168) 2.175 1.429 ( -13.287 0.000 5.518) 14.387 1.575 ( -12.659 0.000 -6.964) 14.448 1.643 ( -1.264 0.000 0.829) 1.512 1.671 ( 0.209 -0.000 -3.110) 3.117 1.925 ( 0.093 -0.000 2.660) 2.661 1.952 ( -1.777 0.000 0.926) 2.004 1.968 ( 0.349 -0.000 3.806) 3.822 2.061 ( -2.291 0.000 -2.355) 3.286 2.125 ( 0.841 -0.000 1.963) 2.136 2.137 ( 4.043 -0.000 0.279) 4.052 2.289 ( -1.590 0.000 -2.734) 3.162 2.329 ( -6.593 0.000 -5.280) 8.446 2.535 ( 0.467 -0.000 7.592) 7.606 2.544 ( -0.802 0.000 2.888) 2.998 2.596 ( -1.936 0.000 -1.217) 2.286 2.655 ( -0.234 0.000 -1.219) 1.241 2.697 ( 0.425 -0.000 1.004) 1.090 2.724 ( -2.426 0.000 -2.746) 3.664 2.758 ( -1.290 0.000 0.440) 1.363 2.785 ( 0.131 -0.000 -1.683) 1.688 2.899 ( -9.053 0.000 0.358) 9.060 2.910 ( -5.205 0.000 2.646) 5.839 2.910 ( -10.904 0.000 -0.619) 10.922 2.954 ( -4.821 0.000 -1.605) 5.081 3.108 ( -4.391 0.000 5.080) 6.715 3.110 ( -10.693 0.000 2.884) 11.075 3.222 ( -5.841 0.000 -5.782) 8.219 3.311 ( -1.154 0.000 -11.310) 11.368 3.479 ( -1.261 0.000 2.775) 3.048 3.492 ( -1.958 0.000 0.578) 2.041 3.735 ( 0.970 -0.000 4.089) 4.203 3.774 ( -0.655 0.000 -0.678) 0.943 4.257 ( 1.374 -0.000 3.000) 3.300 4.320 ( 1.954 -0.000 -2.593) 3.246 5.742 ( -0.080 0.000 0.955) 0.958 5.788 ( 0.886 -0.000 -3.412) 3.525 6.307 ( 0.716 -0.000 3.014) 3.098 6.317 ( 0.254 -0.000 1.825) 1.843 6.568 ( -7.358 0.000 0.071) 7.358 6.569 ( -7.613 0.000 -0.009) 7.613 6.604 ( -2.085 0.000 0.690) 2.196 6.617 ( -3.592 0.000 -0.325) 3.607 7.261 ( 0.390 -0.000 -2.541) 2.570 7.266 ( -0.144 0.000 -2.656) 2.660 7.492 ( 3.397 -0.000 1.207) 3.605 7.495 ( 5.317 -0.000 1.033) 5.416 7.836 ( 1.422 -0.000 0.271) 1.448 7.861 ( 1.599 -0.000 -1.735) 2.359 8.117 ( 1.832 -0.000 1.185) 2.182 8.141 ( 1.862 -0.000 -0.970) 2.100 8.253 ( 0.602 -0.000 0.568) 0.827 8.266 ( 0.440 -0.000 -0.637) 0.774 8.362 ( 1.772 -0.000 9.239) 9.407 8.429 ( 0.496 -0.000 0.546) 0.738 8.447 ( -0.102 0.000 -0.180) 0.207 8.562 ( 1.243 -0.000 -7.827) 7.925 8.721 ( -4.277 0.000 3.661) 5.630 8.828 ( -4.220 0.000 -6.534) 7.778 9.037 ( -2.360 0.000 1.568) 2.833 9.061 ( -2.749 0.000 -0.862) 2.881 9.150 ( -4.479 0.000 4.703) 6.495 9.234 ( -2.696 0.000 -3.099) 4.107 10.149 ( 1.411 -0.000 2.136) 2.560 10.188 ( 1.764 -0.000 -1.356) 2.226 ======================= Grid point 263 (98/98) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 2.832 7.955) 8.444 1.259 ( 0.000 3.056 4.977) 5.840 1.371 ( 0.000 0.922 -6.007) 6.077 1.377 ( 0.000 2.146 -5.528) 5.930 1.625 ( 0.000 2.847 2.616) 3.866 1.672 ( 0.000 2.705 -2.490) 3.677 1.923 ( 0.000 2.571 1.613) 3.035 1.947 ( 0.000 0.309 -0.648) 0.718 1.977 ( -0.000 -2.584 3.332) 4.217 2.040 ( -0.000 -3.123 -1.820) 3.614 2.125 ( -0.000 -1.598 2.320) 2.817 2.184 ( -0.000 -0.244 -2.861) 2.871 2.234 ( 0.000 3.174 0.403) 3.200 2.294 ( -0.000 -0.783 -4.622) 4.687 2.527 ( 0.000 9.514 6.596) 11.577 2.587 ( -0.000 -0.453 0.976) 1.076 2.606 ( -0.000 -0.609 -0.692) 0.922 2.626 ( 0.000 7.320 -2.648) 7.784 2.674 ( -0.000 -2.950 1.776) 3.443 2.710 ( -0.000 -4.803 -1.082) 4.924 2.739 ( -0.000 -0.904 2.665) 2.814 2.740 ( 0.000 0.121 1.459) 1.464 2.773 ( 0.000 0.280 -1.402) 1.429 2.792 ( 0.000 0.168 -1.277) 1.288 2.916 ( -0.000 -0.232 0.331) 0.404 2.923 ( -0.000 -0.184 -0.327) 0.375 2.934 ( 0.000 10.356 4.676) 11.363 3.069 ( 0.000 0.463 -4.130) 4.156 3.159 ( -0.000 -3.496 0.423) 3.522 3.333 ( -0.000 -9.277 -11.344) 14.654 3.448 ( 0.000 3.488 3.488) 4.933 3.483 ( -0.000 -1.987 -0.223) 2.000 3.748 ( -0.000 -0.429 3.482) 3.508 3.772 ( -0.000 -0.732 0.128) 0.743 4.273 ( -0.000 -0.515 3.273) 3.314 4.340 ( -0.000 -0.164 -2.747) 2.752 5.745 ( -0.000 -1.055 1.165) 1.572 5.798 ( -0.000 -0.031 -3.759) 3.759 6.312 ( 0.000 0.909 3.671) 3.782 6.332 ( -0.000 -2.355 2.148) 3.187 6.483 ( 0.000 1.190 0.100) 1.194 6.486 ( 0.000 1.159 -0.104) 1.163 6.574 ( 0.000 0.926 0.166) 0.941 6.578 ( 0.000 0.943 -0.163) 0.957 7.261 ( 0.000 0.634 -2.319) 2.404 7.269 ( -0.000 -0.809 -2.825) 2.939 7.523 ( 0.000 2.136 2.026) 2.944 7.552 ( 0.000 1.412 -0.619) 1.541 7.845 ( 0.000 1.840 0.723) 1.977 7.883 ( -0.000 -1.012 -2.461) 2.661 8.141 ( -0.000 -0.133 1.257) 1.264 8.166 ( -0.000 -0.201 -0.928) 0.950 8.256 ( -0.000 -0.542 0.463) 0.713 8.267 ( -0.000 -0.516 -0.510) 0.725 8.380 ( 0.000 0.120 10.344) 10.344 8.430 ( 0.000 0.010 0.674) 0.674 8.445 ( 0.000 0.038 -0.659) 0.660 8.572 ( -0.000 -0.232 -6.240) 6.244 8.683 ( -0.000 -0.187 1.822) 1.832 8.784 ( -0.000 -0.215 -7.026) 7.029 9.014 ( 0.000 0.009 0.839) 0.839 9.032 ( 0.000 0.021 -0.808) 0.808 9.102 ( 0.000 0.060 6.448) 6.449 9.207 ( 0.000 0.057 -3.656) 3.657 10.165 ( -0.000 -0.508 2.457) 2.509 10.210 ( -0.000 -1.140 -1.514) 1.895 =================== 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 10.0 349.994 656.012 126.858 0.000 0.000 0.000 3/33462 20.0 47.312 45.093 11.696 0.000 0.000 0.000 3/33462 30.0 20.024 15.515 4.926 0.000 0.000 0.000 3/33462 40.0 12.508 8.744 3.131 0.000 0.000 0.000 3/33462 50.0 9.108 6.021 2.314 0.000 0.000 0.000 3/33462 60.0 7.145 4.580 1.838 0.000 0.000 0.000 3/33462 70.0 5.859 3.692 1.525 0.000 0.000 0.000 3/33462 80.0 4.955 3.092 1.302 0.000 0.000 0.000 3/33462 90.0 4.288 2.659 1.137 0.000 0.000 0.000 3/33462 100.0 3.778 2.334 1.009 0.000 0.000 0.000 3/33462 110.0 3.376 2.080 0.907 0.000 0.000 0.000 3/33462 120.0 3.053 1.877 0.825 0.000 0.000 0.000 3/33462 130.0 2.787 1.711 0.756 0.000 0.000 0.000 3/33462 140.0 2.565 1.573 0.699 0.000 0.000 0.000 3/33462 150.0 2.376 1.455 0.649 0.000 0.000 0.000 3/33462 160.0 2.214 1.355 0.607 0.000 0.000 0.000 3/33462 170.0 2.073 1.268 0.569 0.000 0.000 0.000 3/33462 180.0 1.950 1.191 0.537 0.000 0.000 0.000 3/33462 190.0 1.840 1.124 0.507 0.000 0.000 0.000 3/33462 200.0 1.743 1.063 0.481 0.000 0.000 0.000 3/33462 210.0 1.656 1.010 0.458 0.000 0.000 0.000 3/33462 220.0 1.577 0.961 0.437 0.000 0.000 0.000 3/33462 230.0 1.505 0.917 0.417 0.000 0.000 0.000 3/33462 240.0 1.440 0.877 0.399 0.000 0.000 0.000 3/33462 250.0 1.380 0.840 0.383 0.000 0.000 0.000 3/33462 260.0 1.325 0.807 0.368 0.000 0.000 0.000 3/33462 270.0 1.275 0.776 0.354 0.000 0.000 0.000 3/33462 280.0 1.228 0.747 0.342 0.000 0.000 0.000 3/33462 290.0 1.185 0.720 0.330 0.000 0.000 0.000 3/33462 300.0 1.144 0.695 0.319 0.000 0.000 0.000 3/33462 310.0 1.107 0.672 0.308 0.000 0.000 0.000 3/33462 320.0 1.071 0.651 0.299 0.000 0.000 0.000 3/33462 330.0 1.038 0.631 0.290 0.000 0.000 0.000 3/33462 340.0 1.007 0.612 0.281 0.000 0.000 0.000 3/33462 350.0 0.978 0.594 0.273 0.000 0.000 0.000 3/33462 360.0 0.950 0.577 0.265 0.000 0.000 0.000 3/33462 370.0 0.924 0.561 0.258 0.000 0.000 0.000 3/33462 380.0 0.900 0.546 0.251 0.000 0.000 0.000 3/33462 390.0 0.876 0.532 0.245 0.000 0.000 0.000 3/33462 400.0 0.854 0.518 0.239 0.000 0.000 0.000 3/33462 410.0 0.833 0.505 0.233 0.000 0.000 0.000 3/33462 420.0 0.813 0.493 0.227 0.000 0.000 0.000 3/33462 430.0 0.794 0.481 0.222 0.000 0.000 0.000 3/33462 440.0 0.776 0.470 0.217 0.000 0.000 0.000 3/33462 450.0 0.758 0.460 0.212 0.000 0.000 0.000 3/33462 460.0 0.742 0.450 0.208 0.000 0.000 0.000 3/33462 470.0 0.726 0.440 0.203 0.000 0.000 0.000 3/33462 480.0 0.711 0.431 0.199 0.000 0.000 0.000 3/33462 490.0 0.696 0.422 0.195 0.000 0.000 0.000 3/33462 500.0 0.682 0.413 0.191 0.000 0.000 0.000 3/33462 510.0 0.669 0.405 0.187 0.000 0.000 0.000 3/33462 520.0 0.656 0.397 0.184 0.000 0.000 0.000 3/33462 530.0 0.643 0.390 0.180 0.000 0.000 0.000 3/33462 540.0 0.631 0.382 0.177 0.000 0.000 0.000 3/33462 550.0 0.620 0.375 0.174 0.000 0.000 0.000 3/33462 560.0 0.609 0.369 0.170 0.000 0.000 0.000 3/33462 570.0 0.598 0.362 0.167 0.000 0.000 0.000 3/33462 580.0 0.587 0.356 0.165 0.000 0.000 0.000 3/33462 590.0 0.577 0.350 0.162 0.000 0.000 0.000 3/33462 600.0 0.568 0.344 0.159 0.000 0.000 0.000 3/33462 610.0 0.558 0.338 0.156 0.000 0.000 0.000 3/33462 620.0 0.549 0.333 0.154 0.000 0.000 0.000 3/33462 630.0 0.541 0.327 0.152 0.000 0.000 0.000 3/33462 640.0 0.532 0.322 0.149 0.000 0.000 0.000 3/33462 650.0 0.524 0.317 0.147 0.000 0.000 0.000 3/33462 660.0 0.516 0.312 0.145 0.000 0.000 0.000 3/33462 670.0 0.508 0.308 0.142 0.000 0.000 0.000 3/33462 680.0 0.501 0.303 0.140 0.000 0.000 0.000 3/33462 690.0 0.494 0.299 0.138 0.000 0.000 0.000 3/33462 700.0 0.486 0.294 0.136 0.000 0.000 0.000 3/33462 710.0 0.480 0.290 0.134 0.000 0.000 0.000 3/33462 720.0 0.473 0.286 0.133 0.000 0.000 0.000 3/33462 730.0 0.466 0.282 0.131 0.000 0.000 0.000 3/33462 740.0 0.460 0.278 0.129 0.000 0.000 0.000 3/33462 750.0 0.454 0.275 0.127 0.000 0.000 0.000 3/33462 760.0 0.448 0.271 0.126 0.000 0.000 0.000 3/33462 770.0 0.442 0.268 0.124 0.000 0.000 0.000 3/33462 780.0 0.436 0.264 0.122 0.000 0.000 0.000 3/33462 790.0 0.431 0.261 0.121 0.000 0.000 0.000 3/33462 800.0 0.426 0.258 0.119 0.000 0.000 0.000 3/33462 810.0 0.420 0.254 0.118 0.000 0.000 0.000 3/33462 820.0 0.415 0.251 0.116 0.000 0.000 0.000 3/33462 830.0 0.410 0.248 0.115 0.000 0.000 0.000 3/33462 840.0 0.405 0.245 0.114 0.000 0.000 0.000 3/33462 850.0 0.401 0.242 0.112 0.000 0.000 0.000 3/33462 860.0 0.396 0.239 0.111 0.000 0.000 0.000 3/33462 870.0 0.391 0.237 0.110 0.000 0.000 0.000 3/33462 880.0 0.387 0.234 0.109 0.000 0.000 0.000 3/33462 890.0 0.382 0.231 0.107 0.000 0.000 0.000 3/33462 900.0 0.378 0.229 0.106 0.000 0.000 0.000 3/33462 910.0 0.374 0.226 0.105 0.000 0.000 0.000 3/33462 920.0 0.370 0.224 0.104 0.000 0.000 0.000 3/33462 930.0 0.366 0.221 0.103 0.000 0.000 0.000 3/33462 940.0 0.362 0.219 0.102 0.000 0.000 0.000 3/33462 950.0 0.358 0.217 0.101 0.000 0.000 0.000 3/33462 960.0 0.355 0.214 0.099 0.000 0.000 0.000 3/33462 970.0 0.351 0.212 0.098 0.000 0.000 0.000 3/33462 980.0 0.347 0.210 0.097 0.000 0.000 0.000 3/33462 990.0 0.344 0.208 0.096 0.000 0.000 0.000 3/33462 1000.0 0.340 0.206 0.096 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 04:01:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|