----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:44:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.202138010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.734849060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.065532740000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *3 Li 0.08790368683145 0.25000000000000 0.63349345815867 6.941 *4 Li 0.17809504376625 0.00145465311779 0.19443378956565 6.941 5 Li 0.17809504376625 0.49854534688221 0.19443378956565 6.941 6 Li 0.32190495623375 0.50145465311779 0.69443378956565 6.941 7 Li 0.32190495623375 0.99854534688221 0.69443378956565 6.941 8 Li 0.41209631316855 0.75000000000000 0.13349345815867 6.941 9 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 11 Li 0.58790368683145 0.25000000000000 0.86650654184133 6.941 12 Li 0.67809504376625 0.00145465311779 0.30556621043435 6.941 13 Li 0.67809504376625 0.49854534688221 0.30556621043435 6.941 14 Li 0.82190495623375 0.50145465311779 0.80556621043435 6.941 15 Li 0.82190495623375 0.99854534688221 0.80556621043435 6.941 16 Li 0.91209631316855 0.75000000000000 0.36650654184133 6.941 *17 Ti 0.08762417063886 0.75000000000000 0.64808037332529 47.867 18 Ti 0.41237582936114 0.25000000000000 0.14808037332529 47.867 19 Ti 0.58762417063886 0.75000000000000 0.85191962667471 47.867 20 Ti 0.91237582936114 0.25000000000000 0.35191962667471 47.867 *21 S 0.06414401952510 0.25000000000000 0.23682526041150 32.065 *22 S 0.08019562227674 0.75000000000000 0.27709596292067 32.065 *23 S 0.15693237291071 0.99088434052427 0.78006441327774 32.065 24 S 0.15693237291071 0.50911565947573 0.78006441327774 32.065 25 S 0.34306762708929 0.49088434052427 0.28006441327774 32.065 26 S 0.34306762708929 0.00911565947573 0.28006441327774 32.065 27 S 0.41980437772326 0.25000000000000 0.77709596292067 32.065 28 S 0.43585598047490 0.75000000000000 0.73682526041150 32.065 29 S 0.56414401952510 0.25000000000000 0.26317473958850 32.065 30 S 0.58019562227674 0.75000000000000 0.22290403707933 32.065 31 S 0.65693237291071 0.99088434052427 0.71993558672226 32.065 32 S 0.65693237291071 0.50911565947573 0.71993558672226 32.065 33 S 0.84306762708929 0.49088434052427 0.21993558672226 32.065 34 S 0.84306762708929 0.00911565947573 0.21993558672226 32.065 35 S 0.91980437772326 0.25000000000000 0.72290403707933 32.065 36 S 0.93585598047490 0.75000000000000 0.76317473958850 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.202138010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.734849060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.065532740000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 *3 Li 0.08790368683145 0.25000000000000 0.63349345815867 6.941 > 3 *4 Li 0.17809504376625 0.00145465311779 0.19443378956565 6.941 > 4 5 Li 0.17809504376625 0.49854534688221 0.19443378956565 6.941 > 5 6 Li 0.32190495623375 0.50145465311779 0.69443378956565 6.941 > 6 7 Li 0.32190495623375 0.99854534688221 0.69443378956565 6.941 > 7 8 Li 0.41209631316855 0.75000000000000 0.13349345815867 6.941 > 8 9 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 9 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 10 11 Li 0.58790368683145 0.25000000000000 0.86650654184133 6.941 > 11 12 Li 0.67809504376625 0.00145465311779 0.30556621043435 6.941 > 12 13 Li 0.67809504376625 0.49854534688221 0.30556621043435 6.941 > 13 14 Li 0.82190495623375 0.50145465311779 0.80556621043435 6.941 > 14 15 Li 0.82190495623375 0.99854534688221 0.80556621043435 6.941 > 15 16 Li 0.91209631316855 0.75000000000000 0.36650654184133 6.941 > 16 *17 Ti 0.08762417063886 0.75000000000000 0.64808037332529 47.867 > 17 18 Ti 0.41237582936114 0.25000000000000 0.14808037332529 47.867 > 18 19 Ti 0.58762417063886 0.75000000000000 0.85191962667471 47.867 > 19 20 Ti 0.91237582936114 0.25000000000000 0.35191962667471 47.867 > 20 *21 S 0.06414401952510 0.25000000000000 0.23682526041150 32.065 > 21 *22 S 0.08019562227674 0.75000000000000 0.27709596292067 32.065 > 22 *23 S 0.15693237291071 0.99088434052427 0.78006441327774 32.065 > 23 24 S 0.15693237291071 0.50911565947573 0.78006441327774 32.065 > 24 25 S 0.34306762708929 0.49088434052427 0.28006441327774 32.065 > 25 26 S 0.34306762708929 0.00911565947573 0.28006441327774 32.065 > 26 27 S 0.41980437772326 0.25000000000000 0.77709596292067 32.065 > 27 28 S 0.43585598047490 0.75000000000000 0.73682526041150 32.065 > 28 29 S 0.56414401952510 0.25000000000000 0.26317473958850 32.065 > 29 30 S 0.58019562227674 0.75000000000000 0.22290403707933 32.065 > 30 31 S 0.65693237291071 0.99088434052427 0.71993558672226 32.065 > 31 32 S 0.65693237291071 0.50911565947573 0.71993558672226 32.065 > 32 33 S 0.84306762708929 0.49088434052427 0.21993558672226 32.065 > 33 34 S 0.84306762708929 0.00911565947573 0.21993558672226 32.065 > 34 35 S 0.91980437772326 0.25000000000000 0.72290403707933 32.065 > 35 36 S 0.93585598047490 0.75000000000000 0.76317473958850 32.065 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.202138010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.469698120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.131065480000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 6 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 2 7 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 8 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *9 Li 0.08790368683145 0.12500000000000 0.31674672907934 6.941 > 3 10 Li 0.08790368683145 0.62500000000000 0.31674672907934 6.941 > 3 11 Li 0.08790368683145 0.12500000000000 0.81674672907934 6.941 > 3 12 Li 0.08790368683145 0.62500000000000 0.81674672907934 6.941 > 3 *13 Li 0.17809504376625 0.00072732655889 0.09721689478283 6.941 > 4 14 Li 0.17809504376625 0.50072732655889 0.09721689478283 6.941 > 4 15 Li 0.17809504376625 0.00072732655889 0.59721689478283 6.941 > 4 16 Li 0.17809504376625 0.50072732655889 0.59721689478283 6.941 > 4 17 Li 0.17809504376625 0.24927267344111 0.09721689478283 6.941 > 5 18 Li 0.17809504376625 0.74927267344111 0.09721689478283 6.941 > 5 19 Li 0.17809504376625 0.24927267344111 0.59721689478283 6.941 > 5 20 Li 0.17809504376625 0.74927267344111 0.59721689478283 6.941 > 5 21 Li 0.32190495623375 0.25072732655889 0.34721689478283 6.941 > 6 22 Li 0.32190495623375 0.75072732655889 0.34721689478283 6.941 > 6 23 Li 0.32190495623375 0.25072732655889 0.84721689478283 6.941 > 6 24 Li 0.32190495623375 0.75072732655889 0.84721689478283 6.941 > 6 25 Li 0.32190495623375 0.49927267344111 0.34721689478283 6.941 > 7 26 Li 0.32190495623375 0.99927267344111 0.34721689478283 6.941 > 7 27 Li 0.32190495623375 0.49927267344111 0.84721689478283 6.941 > 7 28 Li 0.32190495623375 0.99927267344111 0.84721689478283 6.941 > 7 29 Li 0.41209631316855 0.37500000000000 0.06674672907934 6.941 > 8 30 Li 0.41209631316855 0.87500000000000 0.06674672907934 6.941 > 8 31 Li 0.41209631316855 0.37500000000000 0.56674672907934 6.941 > 8 32 Li 0.41209631316855 0.87500000000000 0.56674672907934 6.941 > 8 33 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 9 34 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 9 35 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 9 36 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 9 37 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 10 38 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 10 39 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 10 40 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 10 41 Li 0.58790368683145 0.12500000000000 0.43325327092066 6.941 > 11 42 Li 0.58790368683145 0.62500000000000 0.43325327092066 6.941 > 11 43 Li 0.58790368683145 0.12500000000000 0.93325327092066 6.941 > 11 44 Li 0.58790368683145 0.62500000000000 0.93325327092066 6.941 > 11 45 Li 0.67809504376625 0.00072732655889 0.15278310521717 6.941 > 12 46 Li 0.67809504376625 0.50072732655889 0.15278310521717 6.941 > 12 47 Li 0.67809504376625 0.00072732655889 0.65278310521717 6.941 > 12 48 Li 0.67809504376625 0.50072732655889 0.65278310521717 6.941 > 12 49 Li 0.67809504376625 0.24927267344111 0.15278310521717 6.941 > 13 50 Li 0.67809504376625 0.74927267344111 0.15278310521717 6.941 > 13 51 Li 0.67809504376625 0.24927267344111 0.65278310521717 6.941 > 13 52 Li 0.67809504376625 0.74927267344111 0.65278310521717 6.941 > 13 53 Li 0.82190495623375 0.25072732655889 0.40278310521717 6.941 > 14 54 Li 0.82190495623375 0.75072732655889 0.40278310521717 6.941 > 14 55 Li 0.82190495623375 0.25072732655889 0.90278310521717 6.941 > 14 56 Li 0.82190495623375 0.75072732655889 0.90278310521717 6.941 > 14 57 Li 0.82190495623375 0.49927267344111 0.40278310521717 6.941 > 15 58 Li 0.82190495623375 0.99927267344111 0.40278310521717 6.941 > 15 59 Li 0.82190495623375 0.49927267344111 0.90278310521717 6.941 > 15 60 Li 0.82190495623375 0.99927267344111 0.90278310521717 6.941 > 15 61 Li 0.91209631316855 0.37500000000000 0.18325327092066 6.941 > 16 62 Li 0.91209631316855 0.87500000000000 0.18325327092066 6.941 > 16 63 Li 0.91209631316855 0.37500000000000 0.68325327092066 6.941 > 16 64 Li 0.91209631316855 0.87500000000000 0.68325327092066 6.941 > 16 *65 Ti 0.08762417063886 0.37500000000000 0.32404018666265 47.867 > 17 66 Ti 0.08762417063886 0.87500000000000 0.32404018666265 47.867 > 17 67 Ti 0.08762417063886 0.37500000000000 0.82404018666265 47.867 > 17 68 Ti 0.08762417063886 0.87500000000000 0.82404018666265 47.867 > 17 69 Ti 0.41237582936114 0.12500000000000 0.07404018666265 47.867 > 18 70 Ti 0.41237582936114 0.62500000000000 0.07404018666265 47.867 > 18 71 Ti 0.41237582936114 0.12500000000000 0.57404018666265 47.867 > 18 72 Ti 0.41237582936114 0.62500000000000 0.57404018666265 47.867 > 18 73 Ti 0.58762417063886 0.37500000000000 0.42595981333735 47.867 > 19 74 Ti 0.58762417063886 0.87500000000000 0.42595981333735 47.867 > 19 75 Ti 0.58762417063886 0.37500000000000 0.92595981333735 47.867 > 19 76 Ti 0.58762417063886 0.87500000000000 0.92595981333735 47.867 > 19 77 Ti 0.91237582936114 0.12500000000000 0.17595981333735 47.867 > 20 78 Ti 0.91237582936114 0.62500000000000 0.17595981333735 47.867 > 20 79 Ti 0.91237582936114 0.12500000000000 0.67595981333735 47.867 > 20 80 Ti 0.91237582936114 0.62500000000000 0.67595981333735 47.867 > 20 *81 S 0.06414401952510 0.12500000000000 0.11841263020575 32.065 > 21 82 S 0.06414401952510 0.62500000000000 0.11841263020575 32.065 > 21 83 S 0.06414401952510 0.12500000000000 0.61841263020575 32.065 > 21 84 S 0.06414401952510 0.62500000000000 0.61841263020575 32.065 > 21 *85 S 0.08019562227674 0.37500000000000 0.13854798146034 32.065 > 22 86 S 0.08019562227674 0.87500000000000 0.13854798146034 32.065 > 22 87 S 0.08019562227674 0.37500000000000 0.63854798146034 32.065 > 22 88 S 0.08019562227674 0.87500000000000 0.63854798146034 32.065 > 22 *89 S 0.15693237291071 0.49544217026214 0.39003220663887 32.065 > 23 90 S 0.15693237291071 0.99544217026214 0.39003220663887 32.065 > 23 91 S 0.15693237291071 0.49544217026214 0.89003220663887 32.065 > 23 92 S 0.15693237291071 0.99544217026214 0.89003220663887 32.065 > 23 93 S 0.15693237291071 0.25455782973786 0.39003220663887 32.065 > 24 94 S 0.15693237291071 0.75455782973786 0.39003220663887 32.065 > 24 95 S 0.15693237291071 0.25455782973786 0.89003220663887 32.065 > 24 96 S 0.15693237291071 0.75455782973786 0.89003220663887 32.065 > 24 97 S 0.34306762708929 0.24544217026214 0.14003220663887 32.065 > 25 98 S 0.34306762708929 0.74544217026214 0.14003220663887 32.065 > 25 99 S 0.34306762708929 0.24544217026214 0.64003220663887 32.065 > 25 100 S 0.34306762708929 0.74544217026214 0.64003220663887 32.065 > 25 101 S 0.34306762708929 0.00455782973786 0.14003220663887 32.065 > 26 102 S 0.34306762708929 0.50455782973786 0.14003220663887 32.065 > 26 103 S 0.34306762708929 0.00455782973786 0.64003220663887 32.065 > 26 104 S 0.34306762708929 0.50455782973786 0.64003220663887 32.065 > 26 105 S 0.41980437772326 0.12500000000000 0.38854798146034 32.065 > 27 106 S 0.41980437772326 0.62500000000000 0.38854798146034 32.065 > 27 107 S 0.41980437772326 0.12500000000000 0.88854798146034 32.065 > 27 108 S 0.41980437772326 0.62500000000000 0.88854798146034 32.065 > 27 109 S 0.43585598047490 0.37500000000000 0.36841263020575 32.065 > 28 110 S 0.43585598047490 0.87500000000000 0.36841263020575 32.065 > 28 111 S 0.43585598047490 0.37500000000000 0.86841263020575 32.065 > 28 112 S 0.43585598047490 0.87500000000000 0.86841263020575 32.065 > 28 113 S 0.56414401952510 0.12500000000000 0.13158736979425 32.065 > 29 114 S 0.56414401952510 0.62500000000000 0.13158736979425 32.065 > 29 115 S 0.56414401952510 0.12500000000000 0.63158736979425 32.065 > 29 116 S 0.56414401952510 0.62500000000000 0.63158736979425 32.065 > 29 117 S 0.58019562227674 0.37500000000000 0.11145201853966 32.065 > 30 118 S 0.58019562227674 0.87500000000000 0.11145201853966 32.065 > 30 119 S 0.58019562227674 0.37500000000000 0.61145201853966 32.065 > 30 120 S 0.58019562227674 0.87500000000000 0.61145201853966 32.065 > 30 121 S 0.65693237291071 0.49544217026214 0.35996779336113 32.065 > 31 122 S 0.65693237291071 0.99544217026214 0.35996779336113 32.065 > 31 123 S 0.65693237291071 0.49544217026214 0.85996779336113 32.065 > 31 124 S 0.65693237291071 0.99544217026214 0.85996779336113 32.065 > 31 125 S 0.65693237291071 0.25455782973786 0.35996779336113 32.065 > 32 126 S 0.65693237291071 0.75455782973786 0.35996779336113 32.065 > 32 127 S 0.65693237291071 0.25455782973786 0.85996779336113 32.065 > 32 128 S 0.65693237291071 0.75455782973786 0.85996779336113 32.065 > 32 129 S 0.84306762708929 0.24544217026214 0.10996779336113 32.065 > 33 130 S 0.84306762708929 0.74544217026214 0.10996779336113 32.065 > 33 131 S 0.84306762708929 0.24544217026214 0.60996779336113 32.065 > 33 132 S 0.84306762708929 0.74544217026214 0.60996779336113 32.065 > 33 133 S 0.84306762708929 0.00455782973786 0.10996779336113 32.065 > 34 134 S 0.84306762708929 0.50455782973786 0.10996779336113 32.065 > 34 135 S 0.84306762708929 0.00455782973786 0.60996779336113 32.065 > 34 136 S 0.84306762708929 0.50455782973786 0.60996779336113 32.065 > 34 137 S 0.91980437772326 0.12500000000000 0.36145201853966 32.065 > 35 138 S 0.91980437772326 0.62500000000000 0.36145201853966 32.065 > 35 139 S 0.91980437772326 0.12500000000000 0.86145201853966 32.065 > 35 140 S 0.91980437772326 0.62500000000000 0.86145201853966 32.065 > 35 141 S 0.93585598047490 0.37500000000000 0.38158736979425 32.065 > 36 142 S 0.93585598047490 0.87500000000000 0.38158736979425 32.065 > 36 143 S 0.93585598047490 0.37500000000000 0.88158736979425 32.065 > 36 144 S 0.93585598047490 0.87500000000000 0.88158736979425 32.065 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3708389 0.0000000 0.0000000 0.0000000 4.8128611 0.0000000 0.0000000 0.0000000 5.3563489 -------------------------- Born effective charges -------------------------- 1 Li 0.7341132 0.3089767 -0.1618288 0.2931029 1.1306322 -0.2021458 0.0296241 0.1524747 1.5212870 2 Li 0.7341132 -0.3089767 -0.1618288 -0.2931029 1.1306322 0.2021458 0.0296241 -0.1524747 1.5212870 3 Li 0.7478746 0.0000000 0.1408587 0.0000000 1.2419396 0.0000000 0.2398571 0.0000000 0.8028362 4 Li 1.4697968 -0.1428785 0.0802740 0.2058057 0.9236257 0.1696113 -0.1862198 -0.1658652 1.1507726 5 Li 1.4697968 0.1428785 0.0802740 -0.2058057 0.9236257 -0.1696113 -0.1862198 0.1658652 1.1507726 6 Li 1.4697968 0.1428785 -0.0802740 -0.2058057 0.9236257 0.1696113 0.1862198 -0.1658652 1.1507726 7 Li 1.4697968 -0.1428785 -0.0802740 0.2058057 0.9236257 -0.1696113 0.1862198 0.1658652 1.1507726 8 Li 0.7478746 0.0000000 -0.1408587 0.0000000 1.2419396 0.0000000 -0.2398571 0.0000000 0.8028362 9 Li 0.7341132 0.3089767 0.1618288 0.2931029 1.1306322 0.2021458 -0.0296241 -0.1524747 1.5212870 10 Li 0.7341132 -0.3089767 0.1618288 -0.2931029 1.1306322 -0.2021458 -0.0296241 0.1524747 1.5212870 11 Li 0.7478746 0.0000000 -0.1408587 0.0000000 1.2419396 0.0000000 -0.2398571 0.0000000 0.8028362 12 Li 1.4697968 -0.1428785 -0.0802740 0.2058057 0.9236257 -0.1696113 0.1862198 0.1658652 1.1507726 13 Li 1.4697968 0.1428785 -0.0802740 -0.2058057 0.9236257 0.1696113 0.1862198 -0.1658652 1.1507726 14 Li 1.4697968 0.1428785 0.0802740 -0.2058057 0.9236257 -0.1696113 -0.1862198 0.1658652 1.1507726 15 Li 1.4697968 -0.1428785 0.0802740 0.2058057 0.9236257 0.1696113 -0.1862198 -0.1658652 1.1507726 16 Li 0.7478746 0.0000000 0.1408587 0.0000000 1.2419396 0.0000000 0.2398571 0.0000000 0.8028362 17 Ti 1.9778983 0.0000000 0.1588249 0.0000000 2.6404338 0.0000000 0.0874255 0.0000000 3.0320696 18 Ti 1.9778983 0.0000000 -0.1588249 0.0000000 2.6404338 0.0000000 -0.0874255 0.0000000 3.0320696 19 Ti 1.9778983 0.0000000 -0.1588249 0.0000000 2.6404338 0.0000000 -0.0874255 0.0000000 3.0320696 20 Ti 1.9778983 0.0000000 0.1588249 0.0000000 2.6404338 0.0000000 0.0874255 0.0000000 3.0320696 21 S -2.2348249 0.0000000 0.3518517 0.0000000 -1.2263668 0.0000000 0.4158288 0.0000000 -1.4561875 22 S -0.9522416 0.0000000 -0.0976864 0.0000000 -1.0867933 0.0000000 -0.0866099 0.0000000 -3.0540001 23 S -1.6062065 -0.4699191 -0.1251840 -0.7386137 -2.2735485 -0.5845686 -0.1914464 -0.4968370 -1.5737752 24 S -1.6062065 0.4699191 -0.1251840 0.7386137 -2.2735485 0.5845686 -0.1914464 0.4968370 -1.5737752 25 S -1.6062065 0.4699191 0.1251840 0.7386137 -2.2735485 -0.5845686 0.1914464 -0.4968370 -1.5737752 26 S -1.6062065 -0.4699191 0.1251840 -0.7386137 -2.2735485 0.5845686 0.1914464 0.4968370 -1.5737752 27 S -0.9522416 0.0000000 0.0976864 0.0000000 -1.0867933 0.0000000 0.0866099 0.0000000 -3.0540001 28 S -2.2348249 0.0000000 -0.3518517 0.0000000 -1.2263668 0.0000000 -0.4158288 0.0000000 -1.4561875 29 S -2.2348249 0.0000000 -0.3518517 0.0000000 -1.2263668 0.0000000 -0.4158288 0.0000000 -1.4561875 30 S -0.9522416 0.0000000 0.0976864 0.0000000 -1.0867933 0.0000000 0.0866099 0.0000000 -3.0540001 31 S -1.6062065 -0.4699191 0.1251840 -0.7386137 -2.2735485 0.5845686 0.1914464 0.4968370 -1.5737752 32 S -1.6062065 0.4699191 0.1251840 0.7386137 -2.2735485 -0.5845686 0.1914464 -0.4968370 -1.5737752 33 S -1.6062065 0.4699191 -0.1251840 0.7386137 -2.2735485 0.5845686 -0.1914464 0.4968370 -1.5737752 34 S -1.6062065 -0.4699191 -0.1251840 -0.7386137 -2.2735485 -0.5845686 -0.1914464 -0.4968370 -1.5737752 35 S -0.9522416 0.0000000 -0.0976864 0.0000000 -1.0867933 0.0000000 -0.0866099 0.0000000 -3.0540001 36 S -2.2348249 0.0000000 0.3518517 0.0000000 -1.2263668 0.0000000 0.4158288 0.0000000 -1.4561875 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3092 Number of blocks in projector: 3092 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: 714 Use submatrix version of eigh solver. (1) Block: 500 / 714 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 714 / 714 (1) 204 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 246 eigenvectors found. (2) Block: 586 / 586 (2) 83 eigenvectors found. (2) Complementary block size: 13 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 244 eigenvectors found. (2) Block: 586 / 586 (2) 82 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 402 Use standard eigh solver. Tree of FC basis block matrices: - (3092, 3045), data: False |-- (402, 395), data: True |-- (402, 395), data: True |-- (402, 395), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 10), data: (586, 16) @ (16, 10) |-- (86, 82), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 7), data: (586, 13) @ (13, 7) |-- (86, 83), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (714, 700), data: False |-- (714, 10), data: (714, 24) @ (24, 10) |-- (214, 204), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.042 Solver_block: 200 / 560 - Time: 0.974 Solver_block: 300 / 560 - Time: 0.999 Solver_block: 400 / 560 - Time: 0.977 Solver_block: 500 / 560 - Time: 0.978 Solver_block: 560 / 560 - Time: 0.634 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.726 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3092 Number of blocks in projector: 3092 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: 714 Use submatrix version of eigh solver. (1) Block: 500 / 714 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 714 / 714 (1) 204 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 246 eigenvectors found. (2) Block: 586 / 586 (2) 83 eigenvectors found. (2) Complementary block size: 13 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 586 Use submatrix version of eigh solver. (1) Block: 586 / 586 (2) Block: 250 / 586 (2) 244 eigenvectors found. (2) Block: 500 / 586 (2) 244 eigenvectors found. (2) Block: 586 / 586 (2) 82 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 402 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 402 Use standard eigh solver. Tree of FC basis block matrices: - (3092, 3045), data: False |-- (402, 395), data: True |-- (402, 395), data: True |-- (402, 395), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 10), data: (586, 16) @ (16, 10) |-- (86, 82), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (586, 580), data: False |-- (586, 580), data: False |-- (586, 7), data: (586, 13) @ (13, 7) |-- (86, 83), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (714, 700), data: False |-- (714, 10), data: (714, 24) @ (24, 10) |-- (214, 204), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:45:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:45:11]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.202138010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.734849060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.065532740000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 Li 0.08790368683145 0.25000000000000 0.63349345815867 6.941 4 Li 0.17809504376625 0.00145465311779 0.19443378956565 6.941 5 Li 0.17809504376625 0.49854534688221 0.19443378956565 6.941 6 Li 0.32190495623375 0.50145465311779 0.69443378956565 6.941 7 Li 0.32190495623375 0.99854534688221 0.69443378956565 6.941 8 Li 0.41209631316855 0.75000000000000 0.13349345815867 6.941 9 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 11 Li 0.58790368683145 0.25000000000000 0.86650654184133 6.941 12 Li 0.67809504376625 0.00145465311779 0.30556621043435 6.941 13 Li 0.67809504376625 0.49854534688221 0.30556621043435 6.941 14 Li 0.82190495623375 0.50145465311779 0.80556621043435 6.941 15 Li 0.82190495623375 0.99854534688221 0.80556621043435 6.941 16 Li 0.91209631316855 0.75000000000000 0.36650654184133 6.941 17 Ti 0.08762417063886 0.75000000000000 0.64808037332529 47.867 18 Ti 0.41237582936114 0.25000000000000 0.14808037332529 47.867 19 Ti 0.58762417063886 0.75000000000000 0.85191962667471 47.867 20 Ti 0.91237582936114 0.25000000000000 0.35191962667471 47.867 21 S 0.06414401952510 0.25000000000000 0.23682526041150 32.065 22 S 0.08019562227674 0.75000000000000 0.27709596292067 32.065 23 S 0.15693237291071 0.99088434052427 0.78006441327774 32.065 24 S 0.15693237291071 0.50911565947573 0.78006441327774 32.065 25 S 0.34306762708929 0.49088434052427 0.28006441327774 32.065 26 S 0.34306762708929 0.00911565947573 0.28006441327774 32.065 27 S 0.41980437772326 0.25000000000000 0.77709596292067 32.065 28 S 0.43585598047490 0.75000000000000 0.73682526041150 32.065 29 S 0.56414401952510 0.25000000000000 0.26317473958850 32.065 30 S 0.58019562227674 0.75000000000000 0.22290403707933 32.065 31 S 0.65693237291071 0.99088434052427 0.71993558672226 32.065 32 S 0.65693237291071 0.50911565947573 0.71993558672226 32.065 33 S 0.84306762708929 0.49088434052427 0.21993558672226 32.065 34 S 0.84306762708929 0.00911565947573 0.21993558672226 32.065 35 S 0.91980437772326 0.25000000000000 0.72290403707933 32.065 36 S 0.93585598047490 0.75000000000000 0.76317473958850 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.202138010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.469698120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.131065480000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 5 6 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 8 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 9 Li 0.08790368683145 0.12500000000000 0.31674672907934 6.941 > 9 10 Li 0.08790368683145 0.62500000000000 0.31674672907934 6.941 > 9 11 Li 0.08790368683145 0.12500000000000 0.81674672907934 6.941 > 9 12 Li 0.08790368683145 0.62500000000000 0.81674672907934 6.941 > 9 13 Li 0.17809504376625 0.00072732655889 0.09721689478283 6.941 > 13 14 Li 0.17809504376625 0.50072732655889 0.09721689478283 6.941 > 13 15 Li 0.17809504376625 0.00072732655889 0.59721689478283 6.941 > 13 16 Li 0.17809504376625 0.50072732655889 0.59721689478283 6.941 > 13 17 Li 0.17809504376625 0.24927267344111 0.09721689478283 6.941 > 17 18 Li 0.17809504376625 0.74927267344111 0.09721689478283 6.941 > 17 19 Li 0.17809504376625 0.24927267344111 0.59721689478283 6.941 > 17 20 Li 0.17809504376625 0.74927267344111 0.59721689478283 6.941 > 17 21 Li 0.32190495623375 0.25072732655889 0.34721689478283 6.941 > 21 22 Li 0.32190495623375 0.75072732655889 0.34721689478283 6.941 > 21 23 Li 0.32190495623375 0.25072732655889 0.84721689478283 6.941 > 21 24 Li 0.32190495623375 0.75072732655889 0.84721689478283 6.941 > 21 25 Li 0.32190495623375 0.49927267344111 0.34721689478283 6.941 > 25 26 Li 0.32190495623375 0.99927267344111 0.34721689478283 6.941 > 25 27 Li 0.32190495623375 0.49927267344111 0.84721689478283 6.941 > 25 28 Li 0.32190495623375 0.99927267344111 0.84721689478283 6.941 > 25 29 Li 0.41209631316855 0.37500000000000 0.06674672907934 6.941 > 29 30 Li 0.41209631316855 0.87500000000000 0.06674672907934 6.941 > 29 31 Li 0.41209631316855 0.37500000000000 0.56674672907934 6.941 > 29 32 Li 0.41209631316855 0.87500000000000 0.56674672907934 6.941 > 29 33 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 33 34 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 33 35 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 33 36 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 33 37 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 37 38 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 37 39 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 37 40 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 37 41 Li 0.58790368683145 0.12500000000000 0.43325327092066 6.941 > 41 42 Li 0.58790368683145 0.62500000000000 0.43325327092066 6.941 > 41 43 Li 0.58790368683145 0.12500000000000 0.93325327092066 6.941 > 41 44 Li 0.58790368683145 0.62500000000000 0.93325327092066 6.941 > 41 45 Li 0.67809504376625 0.00072732655889 0.15278310521717 6.941 > 45 46 Li 0.67809504376625 0.50072732655889 0.15278310521717 6.941 > 45 47 Li 0.67809504376625 0.00072732655889 0.65278310521717 6.941 > 45 48 Li 0.67809504376625 0.50072732655889 0.65278310521717 6.941 > 45 49 Li 0.67809504376625 0.24927267344111 0.15278310521717 6.941 > 49 50 Li 0.67809504376625 0.74927267344111 0.15278310521717 6.941 > 49 51 Li 0.67809504376625 0.24927267344111 0.65278310521717 6.941 > 49 52 Li 0.67809504376625 0.74927267344111 0.65278310521717 6.941 > 49 53 Li 0.82190495623375 0.25072732655889 0.40278310521717 6.941 > 53 54 Li 0.82190495623375 0.75072732655889 0.40278310521717 6.941 > 53 55 Li 0.82190495623375 0.25072732655889 0.90278310521717 6.941 > 53 56 Li 0.82190495623375 0.75072732655889 0.90278310521717 6.941 > 53 57 Li 0.82190495623375 0.49927267344111 0.40278310521717 6.941 > 57 58 Li 0.82190495623375 0.99927267344111 0.40278310521717 6.941 > 57 59 Li 0.82190495623375 0.49927267344111 0.90278310521717 6.941 > 57 60 Li 0.82190495623375 0.99927267344111 0.90278310521717 6.941 > 57 61 Li 0.91209631316855 0.37500000000000 0.18325327092066 6.941 > 61 62 Li 0.91209631316855 0.87500000000000 0.18325327092066 6.941 > 61 63 Li 0.91209631316855 0.37500000000000 0.68325327092066 6.941 > 61 64 Li 0.91209631316855 0.87500000000000 0.68325327092066 6.941 > 61 65 Ti 0.08762417063886 0.37500000000000 0.32404018666265 47.867 > 65 66 Ti 0.08762417063886 0.87500000000000 0.32404018666265 47.867 > 65 67 Ti 0.08762417063886 0.37500000000000 0.82404018666265 47.867 > 65 68 Ti 0.08762417063886 0.87500000000000 0.82404018666265 47.867 > 65 69 Ti 0.41237582936114 0.12500000000000 0.07404018666265 47.867 > 69 70 Ti 0.41237582936114 0.62500000000000 0.07404018666265 47.867 > 69 71 Ti 0.41237582936114 0.12500000000000 0.57404018666265 47.867 > 69 72 Ti 0.41237582936114 0.62500000000000 0.57404018666265 47.867 > 69 73 Ti 0.58762417063886 0.37500000000000 0.42595981333735 47.867 > 73 74 Ti 0.58762417063886 0.87500000000000 0.42595981333735 47.867 > 73 75 Ti 0.58762417063886 0.37500000000000 0.92595981333735 47.867 > 73 76 Ti 0.58762417063886 0.87500000000000 0.92595981333735 47.867 > 73 77 Ti 0.91237582936114 0.12500000000000 0.17595981333735 47.867 > 77 78 Ti 0.91237582936114 0.62500000000000 0.17595981333735 47.867 > 77 79 Ti 0.91237582936114 0.12500000000000 0.67595981333735 47.867 > 77 80 Ti 0.91237582936114 0.62500000000000 0.67595981333735 47.867 > 77 81 S 0.06414401952510 0.12500000000000 0.11841263020575 32.065 > 81 82 S 0.06414401952510 0.62500000000000 0.11841263020575 32.065 > 81 83 S 0.06414401952510 0.12500000000000 0.61841263020575 32.065 > 81 84 S 0.06414401952510 0.62500000000000 0.61841263020575 32.065 > 81 85 S 0.08019562227674 0.37500000000000 0.13854798146034 32.065 > 85 86 S 0.08019562227674 0.87500000000000 0.13854798146034 32.065 > 85 87 S 0.08019562227674 0.37500000000000 0.63854798146034 32.065 > 85 88 S 0.08019562227674 0.87500000000000 0.63854798146034 32.065 > 85 89 S 0.15693237291071 0.49544217026214 0.39003220663887 32.065 > 89 90 S 0.15693237291071 0.99544217026214 0.39003220663887 32.065 > 89 91 S 0.15693237291071 0.49544217026214 0.89003220663887 32.065 > 89 92 S 0.15693237291071 0.99544217026214 0.89003220663887 32.065 > 89 93 S 0.15693237291071 0.25455782973786 0.39003220663887 32.065 > 93 94 S 0.15693237291071 0.75455782973786 0.39003220663887 32.065 > 93 95 S 0.15693237291071 0.25455782973786 0.89003220663887 32.065 > 93 96 S 0.15693237291071 0.75455782973786 0.89003220663887 32.065 > 93 97 S 0.34306762708929 0.24544217026214 0.14003220663887 32.065 > 97 98 S 0.34306762708929 0.74544217026214 0.14003220663887 32.065 > 97 99 S 0.34306762708929 0.24544217026214 0.64003220663887 32.065 > 97 100 S 0.34306762708929 0.74544217026214 0.64003220663887 32.065 > 97 101 S 0.34306762708929 0.00455782973786 0.14003220663887 32.065 > 101 102 S 0.34306762708929 0.50455782973786 0.14003220663887 32.065 > 101 103 S 0.34306762708929 0.00455782973786 0.64003220663887 32.065 > 101 104 S 0.34306762708929 0.50455782973786 0.64003220663887 32.065 > 101 105 S 0.41980437772326 0.12500000000000 0.38854798146034 32.065 > 105 106 S 0.41980437772326 0.62500000000000 0.38854798146034 32.065 > 105 107 S 0.41980437772326 0.12500000000000 0.88854798146034 32.065 > 105 108 S 0.41980437772326 0.62500000000000 0.88854798146034 32.065 > 105 109 S 0.43585598047490 0.37500000000000 0.36841263020575 32.065 > 109 110 S 0.43585598047490 0.87500000000000 0.36841263020575 32.065 > 109 111 S 0.43585598047490 0.37500000000000 0.86841263020575 32.065 > 109 112 S 0.43585598047490 0.87500000000000 0.86841263020575 32.065 > 109 113 S 0.56414401952510 0.12500000000000 0.13158736979425 32.065 > 113 114 S 0.56414401952510 0.62500000000000 0.13158736979425 32.065 > 113 115 S 0.56414401952510 0.12500000000000 0.63158736979425 32.065 > 113 116 S 0.56414401952510 0.62500000000000 0.63158736979425 32.065 > 113 117 S 0.58019562227674 0.37500000000000 0.11145201853966 32.065 > 117 118 S 0.58019562227674 0.87500000000000 0.11145201853966 32.065 > 117 119 S 0.58019562227674 0.37500000000000 0.61145201853966 32.065 > 117 120 S 0.58019562227674 0.87500000000000 0.61145201853966 32.065 > 117 121 S 0.65693237291071 0.49544217026214 0.35996779336113 32.065 > 121 122 S 0.65693237291071 0.99544217026214 0.35996779336113 32.065 > 121 123 S 0.65693237291071 0.49544217026214 0.85996779336113 32.065 > 121 124 S 0.65693237291071 0.99544217026214 0.85996779336113 32.065 > 121 125 S 0.65693237291071 0.25455782973786 0.35996779336113 32.065 > 125 126 S 0.65693237291071 0.75455782973786 0.35996779336113 32.065 > 125 127 S 0.65693237291071 0.25455782973786 0.85996779336113 32.065 > 125 128 S 0.65693237291071 0.75455782973786 0.85996779336113 32.065 > 125 129 S 0.84306762708929 0.24544217026214 0.10996779336113 32.065 > 129 130 S 0.84306762708929 0.74544217026214 0.10996779336113 32.065 > 129 131 S 0.84306762708929 0.24544217026214 0.60996779336113 32.065 > 129 132 S 0.84306762708929 0.74544217026214 0.60996779336113 32.065 > 129 133 S 0.84306762708929 0.00455782973786 0.10996779336113 32.065 > 133 134 S 0.84306762708929 0.50455782973786 0.10996779336113 32.065 > 133 135 S 0.84306762708929 0.00455782973786 0.60996779336113 32.065 > 133 136 S 0.84306762708929 0.50455782973786 0.60996779336113 32.065 > 133 137 S 0.91980437772326 0.12500000000000 0.36145201853966 32.065 > 137 138 S 0.91980437772326 0.62500000000000 0.36145201853966 32.065 > 137 139 S 0.91980437772326 0.12500000000000 0.86145201853966 32.065 > 137 140 S 0.91980437772326 0.62500000000000 0.86145201853966 32.065 > 137 141 S 0.93585598047490 0.37500000000000 0.38158736979425 32.065 > 141 142 S 0.93585598047490 0.87500000000000 0.38158736979425 32.065 > 141 143 S 0.93585598047490 0.37500000000000 0.88158736979425 32.065 > 141 144 S 0.93585598047490 0.87500000000000 0.88158736979425 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3708389 0.0000000 0.0000000 0.0000000 4.8128611 0.0000000 0.0000000 0.0000000 5.3563489 -------------------------- Born effective charges -------------------------- 1 Li 0.7341132 0.3089767 -0.1618288 0.2931029 1.1306322 -0.2021458 0.0296241 0.1524747 1.5212870 2 Li 0.7341132 -0.3089767 -0.1618288 -0.2931029 1.1306322 0.2021458 0.0296241 -0.1524747 1.5212870 3 Li 0.7478746 0.0000000 0.1408587 0.0000000 1.2419396 0.0000000 0.2398571 0.0000000 0.8028362 4 Li 1.4697968 -0.1428785 0.0802740 0.2058057 0.9236257 0.1696113 -0.1862198 -0.1658652 1.1507726 5 Li 1.4697968 0.1428785 0.0802740 -0.2058057 0.9236257 -0.1696113 -0.1862198 0.1658652 1.1507726 6 Li 1.4697968 0.1428785 -0.0802740 -0.2058057 0.9236257 0.1696113 0.1862198 -0.1658652 1.1507726 7 Li 1.4697968 -0.1428785 -0.0802740 0.2058057 0.9236257 -0.1696113 0.1862198 0.1658652 1.1507726 8 Li 0.7478746 0.0000000 -0.1408587 0.0000000 1.2419396 0.0000000 -0.2398571 0.0000000 0.8028362 9 Li 0.7341132 0.3089767 0.1618288 0.2931029 1.1306322 0.2021458 -0.0296241 -0.1524747 1.5212870 10 Li 0.7341132 -0.3089767 0.1618288 -0.2931029 1.1306322 -0.2021458 -0.0296241 0.1524747 1.5212870 11 Li 0.7478746 0.0000000 -0.1408587 0.0000000 1.2419396 0.0000000 -0.2398571 0.0000000 0.8028362 12 Li 1.4697968 -0.1428785 -0.0802740 0.2058057 0.9236257 -0.1696113 0.1862198 0.1658652 1.1507726 13 Li 1.4697968 0.1428785 -0.0802740 -0.2058057 0.9236257 0.1696113 0.1862198 -0.1658652 1.1507726 14 Li 1.4697968 0.1428785 0.0802740 -0.2058057 0.9236257 -0.1696113 -0.1862198 0.1658652 1.1507726 15 Li 1.4697968 -0.1428785 0.0802740 0.2058057 0.9236257 0.1696113 -0.1862198 -0.1658652 1.1507726 16 Li 0.7478746 0.0000000 0.1408587 0.0000000 1.2419396 0.0000000 0.2398571 0.0000000 0.8028362 17 Ti 1.9778983 0.0000000 0.1588249 0.0000000 2.6404338 0.0000000 0.0874255 0.0000000 3.0320696 18 Ti 1.9778983 0.0000000 -0.1588249 0.0000000 2.6404338 0.0000000 -0.0874255 0.0000000 3.0320696 19 Ti 1.9778983 0.0000000 -0.1588249 0.0000000 2.6404338 0.0000000 -0.0874255 0.0000000 3.0320696 20 Ti 1.9778983 0.0000000 0.1588249 0.0000000 2.6404338 0.0000000 0.0874255 0.0000000 3.0320696 21 S -2.2348249 0.0000000 0.3518517 0.0000000 -1.2263668 0.0000000 0.4158288 0.0000000 -1.4561875 22 S -0.9522416 0.0000000 -0.0976864 0.0000000 -1.0867933 0.0000000 -0.0866099 0.0000000 -3.0540001 23 S -1.6062065 -0.4699191 -0.1251840 -0.7386137 -2.2735485 -0.5845686 -0.1914464 -0.4968370 -1.5737752 24 S -1.6062065 0.4699191 -0.1251840 0.7386137 -2.2735485 0.5845686 -0.1914464 0.4968370 -1.5737752 25 S -1.6062065 0.4699191 0.1251840 0.7386137 -2.2735485 -0.5845686 0.1914464 -0.4968370 -1.5737752 26 S -1.6062065 -0.4699191 0.1251840 -0.7386137 -2.2735485 0.5845686 0.1914464 0.4968370 -1.5737752 27 S -0.9522416 0.0000000 0.0976864 0.0000000 -1.0867933 0.0000000 0.0866099 0.0000000 -3.0540001 28 S -2.2348249 0.0000000 -0.3518517 0.0000000 -1.2263668 0.0000000 -0.4158288 0.0000000 -1.4561875 29 S -2.2348249 0.0000000 -0.3518517 0.0000000 -1.2263668 0.0000000 -0.4158288 0.0000000 -1.4561875 30 S -0.9522416 0.0000000 0.0976864 0.0000000 -1.0867933 0.0000000 0.0866099 0.0000000 -3.0540001 31 S -1.6062065 -0.4699191 0.1251840 -0.7386137 -2.2735485 0.5845686 0.1914464 0.4968370 -1.5737752 32 S -1.6062065 0.4699191 0.1251840 0.7386137 -2.2735485 -0.5845686 0.1914464 -0.4968370 -1.5737752 33 S -1.6062065 0.4699191 -0.1251840 0.7386137 -2.2735485 0.5845686 -0.1914464 0.4968370 -1.5737752 34 S -1.6062065 -0.4699191 -0.1251840 -0.7386137 -2.2735485 -0.5845686 -0.1914464 -0.4968370 -1.5737752 35 S -0.9522416 0.0000000 -0.0976864 0.0000000 -1.0867933 0.0000000 -0.0866099 0.0000000 -3.0540001 36 S -2.2348249 0.0000000 0.3518517 0.0000000 -1.2263668 0.0000000 0.4158288 0.0000000 -1.4561875 ---------------------------------------------------------------------------- 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[ 9, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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[ 89, 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: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:45:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:45:55]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.202138010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.734849060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.065532740000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 Li 0.08790368683145 0.25000000000000 0.63349345815867 6.941 4 Li 0.17809504376625 0.00145465311779 0.19443378956565 6.941 5 Li 0.17809504376625 0.49854534688221 0.19443378956565 6.941 6 Li 0.32190495623375 0.50145465311779 0.69443378956565 6.941 7 Li 0.32190495623375 0.99854534688221 0.69443378956565 6.941 8 Li 0.41209631316855 0.75000000000000 0.13349345815867 6.941 9 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 11 Li 0.58790368683145 0.25000000000000 0.86650654184133 6.941 12 Li 0.67809504376625 0.00145465311779 0.30556621043435 6.941 13 Li 0.67809504376625 0.49854534688221 0.30556621043435 6.941 14 Li 0.82190495623375 0.50145465311779 0.80556621043435 6.941 15 Li 0.82190495623375 0.99854534688221 0.80556621043435 6.941 16 Li 0.91209631316855 0.75000000000000 0.36650654184133 6.941 17 Ti 0.08762417063886 0.75000000000000 0.64808037332529 47.867 18 Ti 0.41237582936114 0.25000000000000 0.14808037332529 47.867 19 Ti 0.58762417063886 0.75000000000000 0.85191962667471 47.867 20 Ti 0.91237582936114 0.25000000000000 0.35191962667471 47.867 21 S 0.06414401952510 0.25000000000000 0.23682526041150 32.065 22 S 0.08019562227674 0.75000000000000 0.27709596292067 32.065 23 S 0.15693237291071 0.99088434052427 0.78006441327774 32.065 24 S 0.15693237291071 0.50911565947573 0.78006441327774 32.065 25 S 0.34306762708929 0.49088434052427 0.28006441327774 32.065 26 S 0.34306762708929 0.00911565947573 0.28006441327774 32.065 27 S 0.41980437772326 0.25000000000000 0.77709596292067 32.065 28 S 0.43585598047490 0.75000000000000 0.73682526041150 32.065 29 S 0.56414401952510 0.25000000000000 0.26317473958850 32.065 30 S 0.58019562227674 0.75000000000000 0.22290403707933 32.065 31 S 0.65693237291071 0.99088434052427 0.71993558672226 32.065 32 S 0.65693237291071 0.50911565947573 0.71993558672226 32.065 33 S 0.84306762708929 0.49088434052427 0.21993558672226 32.065 34 S 0.84306762708929 0.00911565947573 0.21993558672226 32.065 35 S 0.91980437772326 0.25000000000000 0.72290403707933 32.065 36 S 0.93585598047490 0.75000000000000 0.76317473958850 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.202138010000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.469698120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.131065480000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 5 6 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 8 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 9 Li 0.08790368683145 0.12500000000000 0.31674672907934 6.941 > 9 10 Li 0.08790368683145 0.62500000000000 0.31674672907934 6.941 > 9 11 Li 0.08790368683145 0.12500000000000 0.81674672907934 6.941 > 9 12 Li 0.08790368683145 0.62500000000000 0.81674672907934 6.941 > 9 13 Li 0.17809504376625 0.00072732655889 0.09721689478283 6.941 > 13 14 Li 0.17809504376625 0.50072732655889 0.09721689478283 6.941 > 13 15 Li 0.17809504376625 0.00072732655889 0.59721689478283 6.941 > 13 16 Li 0.17809504376625 0.50072732655889 0.59721689478283 6.941 > 13 17 Li 0.17809504376625 0.24927267344111 0.09721689478283 6.941 > 17 18 Li 0.17809504376625 0.74927267344111 0.09721689478283 6.941 > 17 19 Li 0.17809504376625 0.24927267344111 0.59721689478283 6.941 > 17 20 Li 0.17809504376625 0.74927267344111 0.59721689478283 6.941 > 17 21 Li 0.32190495623375 0.25072732655889 0.34721689478283 6.941 > 21 22 Li 0.32190495623375 0.75072732655889 0.34721689478283 6.941 > 21 23 Li 0.32190495623375 0.25072732655889 0.84721689478283 6.941 > 21 24 Li 0.32190495623375 0.75072732655889 0.84721689478283 6.941 > 21 25 Li 0.32190495623375 0.49927267344111 0.34721689478283 6.941 > 25 26 Li 0.32190495623375 0.99927267344111 0.34721689478283 6.941 > 25 27 Li 0.32190495623375 0.49927267344111 0.84721689478283 6.941 > 25 28 Li 0.32190495623375 0.99927267344111 0.84721689478283 6.941 > 25 29 Li 0.41209631316855 0.37500000000000 0.06674672907934 6.941 > 29 30 Li 0.41209631316855 0.87500000000000 0.06674672907934 6.941 > 29 31 Li 0.41209631316855 0.37500000000000 0.56674672907934 6.941 > 29 32 Li 0.41209631316855 0.87500000000000 0.56674672907934 6.941 > 29 33 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 33 34 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 33 35 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 33 36 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 33 37 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 37 38 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 37 39 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 37 40 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 37 41 Li 0.58790368683145 0.12500000000000 0.43325327092066 6.941 > 41 42 Li 0.58790368683145 0.62500000000000 0.43325327092066 6.941 > 41 43 Li 0.58790368683145 0.12500000000000 0.93325327092066 6.941 > 41 44 Li 0.58790368683145 0.62500000000000 0.93325327092066 6.941 > 41 45 Li 0.67809504376625 0.00072732655889 0.15278310521717 6.941 > 45 46 Li 0.67809504376625 0.50072732655889 0.15278310521717 6.941 > 45 47 Li 0.67809504376625 0.00072732655889 0.65278310521717 6.941 > 45 48 Li 0.67809504376625 0.50072732655889 0.65278310521717 6.941 > 45 49 Li 0.67809504376625 0.24927267344111 0.15278310521717 6.941 > 49 50 Li 0.67809504376625 0.74927267344111 0.15278310521717 6.941 > 49 51 Li 0.67809504376625 0.24927267344111 0.65278310521717 6.941 > 49 52 Li 0.67809504376625 0.74927267344111 0.65278310521717 6.941 > 49 53 Li 0.82190495623375 0.25072732655889 0.40278310521717 6.941 > 53 54 Li 0.82190495623375 0.75072732655889 0.40278310521717 6.941 > 53 55 Li 0.82190495623375 0.25072732655889 0.90278310521717 6.941 > 53 56 Li 0.82190495623375 0.75072732655889 0.90278310521717 6.941 > 53 57 Li 0.82190495623375 0.49927267344111 0.40278310521717 6.941 > 57 58 Li 0.82190495623375 0.99927267344111 0.40278310521717 6.941 > 57 59 Li 0.82190495623375 0.49927267344111 0.90278310521717 6.941 > 57 60 Li 0.82190495623375 0.99927267344111 0.90278310521717 6.941 > 57 61 Li 0.91209631316855 0.37500000000000 0.18325327092066 6.941 > 61 62 Li 0.91209631316855 0.87500000000000 0.18325327092066 6.941 > 61 63 Li 0.91209631316855 0.37500000000000 0.68325327092066 6.941 > 61 64 Li 0.91209631316855 0.87500000000000 0.68325327092066 6.941 > 61 65 Ti 0.08762417063886 0.37500000000000 0.32404018666265 47.867 > 65 66 Ti 0.08762417063886 0.87500000000000 0.32404018666265 47.867 > 65 67 Ti 0.08762417063886 0.37500000000000 0.82404018666265 47.867 > 65 68 Ti 0.08762417063886 0.87500000000000 0.82404018666265 47.867 > 65 69 Ti 0.41237582936114 0.12500000000000 0.07404018666265 47.867 > 69 70 Ti 0.41237582936114 0.62500000000000 0.07404018666265 47.867 > 69 71 Ti 0.41237582936114 0.12500000000000 0.57404018666265 47.867 > 69 72 Ti 0.41237582936114 0.62500000000000 0.57404018666265 47.867 > 69 73 Ti 0.58762417063886 0.37500000000000 0.42595981333735 47.867 > 73 74 Ti 0.58762417063886 0.87500000000000 0.42595981333735 47.867 > 73 75 Ti 0.58762417063886 0.37500000000000 0.92595981333735 47.867 > 73 76 Ti 0.58762417063886 0.87500000000000 0.92595981333735 47.867 > 73 77 Ti 0.91237582936114 0.12500000000000 0.17595981333735 47.867 > 77 78 Ti 0.91237582936114 0.62500000000000 0.17595981333735 47.867 > 77 79 Ti 0.91237582936114 0.12500000000000 0.67595981333735 47.867 > 77 80 Ti 0.91237582936114 0.62500000000000 0.67595981333735 47.867 > 77 81 S 0.06414401952510 0.12500000000000 0.11841263020575 32.065 > 81 82 S 0.06414401952510 0.62500000000000 0.11841263020575 32.065 > 81 83 S 0.06414401952510 0.12500000000000 0.61841263020575 32.065 > 81 84 S 0.06414401952510 0.62500000000000 0.61841263020575 32.065 > 81 85 S 0.08019562227674 0.37500000000000 0.13854798146034 32.065 > 85 86 S 0.08019562227674 0.87500000000000 0.13854798146034 32.065 > 85 87 S 0.08019562227674 0.37500000000000 0.63854798146034 32.065 > 85 88 S 0.08019562227674 0.87500000000000 0.63854798146034 32.065 > 85 89 S 0.15693237291071 0.49544217026214 0.39003220663887 32.065 > 89 90 S 0.15693237291071 0.99544217026214 0.39003220663887 32.065 > 89 91 S 0.15693237291071 0.49544217026214 0.89003220663887 32.065 > 89 92 S 0.15693237291071 0.99544217026214 0.89003220663887 32.065 > 89 93 S 0.15693237291071 0.25455782973786 0.39003220663887 32.065 > 93 94 S 0.15693237291071 0.75455782973786 0.39003220663887 32.065 > 93 95 S 0.15693237291071 0.25455782973786 0.89003220663887 32.065 > 93 96 S 0.15693237291071 0.75455782973786 0.89003220663887 32.065 > 93 97 S 0.34306762708929 0.24544217026214 0.14003220663887 32.065 > 97 98 S 0.34306762708929 0.74544217026214 0.14003220663887 32.065 > 97 99 S 0.34306762708929 0.24544217026214 0.64003220663887 32.065 > 97 100 S 0.34306762708929 0.74544217026214 0.64003220663887 32.065 > 97 101 S 0.34306762708929 0.00455782973786 0.14003220663887 32.065 > 101 102 S 0.34306762708929 0.50455782973786 0.14003220663887 32.065 > 101 103 S 0.34306762708929 0.00455782973786 0.64003220663887 32.065 > 101 104 S 0.34306762708929 0.50455782973786 0.64003220663887 32.065 > 101 105 S 0.41980437772326 0.12500000000000 0.38854798146034 32.065 > 105 106 S 0.41980437772326 0.62500000000000 0.38854798146034 32.065 > 105 107 S 0.41980437772326 0.12500000000000 0.88854798146034 32.065 > 105 108 S 0.41980437772326 0.62500000000000 0.88854798146034 32.065 > 105 109 S 0.43585598047490 0.37500000000000 0.36841263020575 32.065 > 109 110 S 0.43585598047490 0.87500000000000 0.36841263020575 32.065 > 109 111 S 0.43585598047490 0.37500000000000 0.86841263020575 32.065 > 109 112 S 0.43585598047490 0.87500000000000 0.86841263020575 32.065 > 109 113 S 0.56414401952510 0.12500000000000 0.13158736979425 32.065 > 113 114 S 0.56414401952510 0.62500000000000 0.13158736979425 32.065 > 113 115 S 0.56414401952510 0.12500000000000 0.63158736979425 32.065 > 113 116 S 0.56414401952510 0.62500000000000 0.63158736979425 32.065 > 113 117 S 0.58019562227674 0.37500000000000 0.11145201853966 32.065 > 117 118 S 0.58019562227674 0.87500000000000 0.11145201853966 32.065 > 117 119 S 0.58019562227674 0.37500000000000 0.61145201853966 32.065 > 117 120 S 0.58019562227674 0.87500000000000 0.61145201853966 32.065 > 117 121 S 0.65693237291071 0.49544217026214 0.35996779336113 32.065 > 121 122 S 0.65693237291071 0.99544217026214 0.35996779336113 32.065 > 121 123 S 0.65693237291071 0.49544217026214 0.85996779336113 32.065 > 121 124 S 0.65693237291071 0.99544217026214 0.85996779336113 32.065 > 121 125 S 0.65693237291071 0.25455782973786 0.35996779336113 32.065 > 125 126 S 0.65693237291071 0.75455782973786 0.35996779336113 32.065 > 125 127 S 0.65693237291071 0.25455782973786 0.85996779336113 32.065 > 125 128 S 0.65693237291071 0.75455782973786 0.85996779336113 32.065 > 125 129 S 0.84306762708929 0.24544217026214 0.10996779336113 32.065 > 129 130 S 0.84306762708929 0.74544217026214 0.10996779336113 32.065 > 129 131 S 0.84306762708929 0.24544217026214 0.60996779336113 32.065 > 129 132 S 0.84306762708929 0.74544217026214 0.60996779336113 32.065 > 129 133 S 0.84306762708929 0.00455782973786 0.10996779336113 32.065 > 133 134 S 0.84306762708929 0.50455782973786 0.10996779336113 32.065 > 133 135 S 0.84306762708929 0.00455782973786 0.60996779336113 32.065 > 133 136 S 0.84306762708929 0.50455782973786 0.60996779336113 32.065 > 133 137 S 0.91980437772326 0.12500000000000 0.36145201853966 32.065 > 137 138 S 0.91980437772326 0.62500000000000 0.36145201853966 32.065 > 137 139 S 0.91980437772326 0.12500000000000 0.86145201853966 32.065 > 137 140 S 0.91980437772326 0.62500000000000 0.86145201853966 32.065 > 137 141 S 0.93585598047490 0.37500000000000 0.38158736979425 32.065 > 141 142 S 0.93585598047490 0.87500000000000 0.38158736979425 32.065 > 141 143 S 0.93585598047490 0.37500000000000 0.88158736979425 32.065 > 141 144 S 0.93585598047490 0.87500000000000 0.88158736979425 32.065 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3708389 0.0000000 0.0000000 0.0000000 4.8128611 0.0000000 0.0000000 0.0000000 5.3563489 -------------------------- Born effective charges -------------------------- 1 Li 0.7341132 0.3089767 -0.1618288 0.2931029 1.1306322 -0.2021458 0.0296241 0.1524747 1.5212870 2 Li 0.7341132 -0.3089767 -0.1618288 -0.2931029 1.1306322 0.2021458 0.0296241 -0.1524747 1.5212870 3 Li 0.7478746 0.0000000 0.1408587 0.0000000 1.2419396 0.0000000 0.2398571 0.0000000 0.8028362 4 Li 1.4697968 -0.1428785 0.0802740 0.2058057 0.9236257 0.1696113 -0.1862198 -0.1658652 1.1507726 5 Li 1.4697968 0.1428785 0.0802740 -0.2058057 0.9236257 -0.1696113 -0.1862198 0.1658652 1.1507726 6 Li 1.4697968 0.1428785 -0.0802740 -0.2058057 0.9236257 0.1696113 0.1862198 -0.1658652 1.1507726 7 Li 1.4697968 -0.1428785 -0.0802740 0.2058057 0.9236257 -0.1696113 0.1862198 0.1658652 1.1507726 8 Li 0.7478746 0.0000000 -0.1408587 0.0000000 1.2419396 0.0000000 -0.2398571 0.0000000 0.8028362 9 Li 0.7341132 0.3089767 0.1618288 0.2931029 1.1306322 0.2021458 -0.0296241 -0.1524747 1.5212870 10 Li 0.7341132 -0.3089767 0.1618288 -0.2931029 1.1306322 -0.2021458 -0.0296241 0.1524747 1.5212870 11 Li 0.7478746 0.0000000 -0.1408587 0.0000000 1.2419396 0.0000000 -0.2398571 0.0000000 0.8028362 12 Li 1.4697968 -0.1428785 -0.0802740 0.2058057 0.9236257 -0.1696113 0.1862198 0.1658652 1.1507726 13 Li 1.4697968 0.1428785 -0.0802740 -0.2058057 0.9236257 0.1696113 0.1862198 -0.1658652 1.1507726 14 Li 1.4697968 0.1428785 0.0802740 -0.2058057 0.9236257 -0.1696113 -0.1862198 0.1658652 1.1507726 15 Li 1.4697968 -0.1428785 0.0802740 0.2058057 0.9236257 0.1696113 -0.1862198 -0.1658652 1.1507726 16 Li 0.7478746 0.0000000 0.1408587 0.0000000 1.2419396 0.0000000 0.2398571 0.0000000 0.8028362 17 Ti 1.9778983 0.0000000 0.1588249 0.0000000 2.6404338 0.0000000 0.0874255 0.0000000 3.0320696 18 Ti 1.9778983 0.0000000 -0.1588249 0.0000000 2.6404338 0.0000000 -0.0874255 0.0000000 3.0320696 19 Ti 1.9778983 0.0000000 -0.1588249 0.0000000 2.6404338 0.0000000 -0.0874255 0.0000000 3.0320696 20 Ti 1.9778983 0.0000000 0.1588249 0.0000000 2.6404338 0.0000000 0.0874255 0.0000000 3.0320696 21 S -2.2348249 0.0000000 0.3518517 0.0000000 -1.2263668 0.0000000 0.4158288 0.0000000 -1.4561875 22 S -0.9522416 0.0000000 -0.0976864 0.0000000 -1.0867933 0.0000000 -0.0866099 0.0000000 -3.0540001 23 S -1.6062065 -0.4699191 -0.1251840 -0.7386137 -2.2735485 -0.5845686 -0.1914464 -0.4968370 -1.5737752 24 S -1.6062065 0.4699191 -0.1251840 0.7386137 -2.2735485 0.5845686 -0.1914464 0.4968370 -1.5737752 25 S -1.6062065 0.4699191 0.1251840 0.7386137 -2.2735485 -0.5845686 0.1914464 -0.4968370 -1.5737752 26 S -1.6062065 -0.4699191 0.1251840 -0.7386137 -2.2735485 0.5845686 0.1914464 0.4968370 -1.5737752 27 S -0.9522416 0.0000000 0.0976864 0.0000000 -1.0867933 0.0000000 0.0866099 0.0000000 -3.0540001 28 S -2.2348249 0.0000000 -0.3518517 0.0000000 -1.2263668 0.0000000 -0.4158288 0.0000000 -1.4561875 29 S -2.2348249 0.0000000 -0.3518517 0.0000000 -1.2263668 0.0000000 -0.4158288 0.0000000 -1.4561875 30 S -0.9522416 0.0000000 0.0976864 0.0000000 -1.0867933 0.0000000 0.0866099 0.0000000 -3.0540001 31 S -1.6062065 -0.4699191 0.1251840 -0.7386137 -2.2735485 0.5845686 0.1914464 0.4968370 -1.5737752 32 S -1.6062065 0.4699191 0.1251840 0.7386137 -2.2735485 -0.5845686 0.1914464 -0.4968370 -1.5737752 33 S -1.6062065 0.4699191 -0.1251840 0.7386137 -2.2735485 0.5845686 -0.1914464 0.4968370 -1.5737752 34 S -1.6062065 -0.4699191 -0.1251840 -0.7386137 -2.2735485 -0.5845686 -0.1914464 -0.4968370 -1.5737752 35 S -0.9522416 0.0000000 -0.0976864 0.0000000 -1.0867933 0.0000000 -0.0866099 0.0000000 -3.0540001 36 S -2.2348249 0.0000000 0.3518517 0.0000000 -1.2263668 0.0000000 0.4158288 0.0000000 -1.4561875 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 8 ] 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: 0.48, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 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 0.614 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 10.896 ( 0.000 0.000 0.000) 0.000 10.993 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 11.097 ( 0.000 0.000 0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.408 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 12.041 ( 0.000 0.000 0.000) 0.000 12.081 ( 0.000 0.000 0.000) 0.000 12.641 ( 0.000 0.000 0.000) 0.000 12.692 ( 0.000 0.000 0.000) 0.000 12.735 ( 0.000 0.000 0.000) 0.000 12.829 ( 0.000 0.000 0.000) 0.000 12.979 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 13.281 ( 0.000 0.000 0.000) 0.000 13.383 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 13.662 ( 0.000 0.000 0.000) 0.000 13.753 ( 0.000 0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 14.381 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 12.465 0.000 0.000) 12.465 0.503 ( 27.999 0.000 0.000) 27.999 0.565 ( -5.463 0.000 0.000) 5.463 0.974 ( 53.021 0.000 0.000) 53.021 1.361 ( -16.516 0.000 0.000) 16.516 2.335 ( -4.380 0.000 0.000) 4.380 2.355 ( -6.487 0.000 0.000) 6.487 2.440 ( -18.096 0.000 0.000) 18.096 2.535 ( 2.921 0.000 0.000) 2.921 2.583 ( 2.146 0.000 0.000) 2.146 2.729 ( 6.106 0.000 0.000) 6.106 2.797 ( -4.730 0.000 0.000) 4.730 3.080 ( 5.532 0.000 0.000) 5.532 3.190 ( 2.015 0.000 0.000) 2.015 3.266 ( -3.208 0.000 0.000) 3.208 3.330 ( -2.579 0.000 0.000) 2.579 3.446 ( 11.665 0.000 0.000) 11.665 3.626 ( 1.577 0.000 0.000) 1.577 3.741 ( 6.902 0.000 0.000) 6.902 3.756 ( 1.039 0.000 0.000) 1.039 3.818 ( -10.088 0.000 0.000) 10.088 3.944 ( -9.399 0.000 0.000) 9.399 3.968 ( -11.058 0.000 0.000) 11.058 4.054 ( -9.314 0.000 0.000) 9.314 4.333 ( 0.848 0.000 0.000) 0.848 4.369 ( -1.023 0.000 0.000) 1.023 4.370 ( 5.641 0.000 0.000) 5.641 4.520 ( 9.612 0.000 0.000) 9.612 4.635 ( 2.557 0.000 0.000) 2.557 4.679 ( -2.202 0.000 0.000) 2.202 4.691 ( -1.445 0.000 0.000) 1.445 4.774 ( 4.977 0.000 0.000) 4.977 4.883 ( -0.498 0.000 0.000) 0.498 4.925 ( -7.071 0.000 0.000) 7.071 5.199 ( 5.411 0.000 0.000) 5.411 5.231 ( 1.859 0.000 0.000) 1.859 5.330 ( -4.039 0.000 0.000) 4.039 5.345 ( 6.262 0.000 0.000) 6.262 5.512 ( -5.000 0.000 0.000) 5.000 5.560 ( -6.728 0.000 0.000) 6.728 5.562 ( 8.847 0.000 0.000) 8.847 5.618 ( 8.070 0.000 0.000) 8.070 5.769 ( -1.259 0.000 0.000) 1.259 5.875 ( 2.619 0.000 0.000) 2.619 5.919 ( -6.740 0.000 0.000) 6.740 6.008 ( -2.965 0.000 0.000) 2.965 6.092 ( 1.882 0.000 0.000) 1.882 6.161 ( -0.857 0.000 0.000) 0.857 6.314 ( 3.161 0.000 0.000) 3.161 6.336 ( -0.957 0.000 0.000) 0.957 6.421 ( -1.365 0.000 0.000) 1.365 6.433 ( -3.113 0.000 0.000) 3.113 6.503 ( 0.186 0.000 0.000) 0.186 6.535 ( -1.423 0.000 0.000) 1.423 6.535 ( 6.075 0.000 0.000) 6.075 6.714 ( -4.003 0.000 0.000) 4.003 7.941 ( 5.218 0.000 0.000) 5.218 8.105 ( 4.129 0.000 0.000) 4.129 8.110 ( -2.575 0.000 0.000) 2.575 8.314 ( -5.348 0.000 0.000) 5.348 8.535 ( 0.303 0.000 0.000) 0.303 8.556 ( -0.559 0.000 0.000) 0.559 8.680 ( 3.423 0.000 0.000) 3.423 8.698 ( 0.431 0.000 0.000) 0.431 8.713 ( -0.239 0.000 0.000) 0.239 8.837 ( -4.310 0.000 0.000) 4.310 8.915 ( 0.429 0.000 0.000) 0.429 8.921 ( 0.479 0.000 0.000) 0.479 9.086 ( 0.563 0.000 0.000) 0.563 9.118 ( 0.863 0.000 0.000) 0.863 9.119 ( -0.922 0.000 0.000) 0.922 9.164 ( -1.193 0.000 0.000) 1.193 9.313 ( 3.412 0.000 0.000) 3.412 9.427 ( -1.792 0.000 0.000) 1.792 9.911 ( 0.575 0.000 0.000) 0.575 9.960 ( -1.495 0.000 0.000) 1.495 10.804 ( -0.223 0.000 0.000) 0.223 10.874 ( -3.186 0.000 0.000) 3.186 10.927 ( 2.605 0.000 0.000) 2.605 10.988 ( -0.673 0.000 0.000) 0.673 11.080 ( 0.334 0.000 0.000) 0.334 11.094 ( -0.296 0.000 0.000) 0.296 11.188 ( 0.679 0.000 0.000) 0.679 11.215 ( -0.529 0.000 0.000) 0.529 11.301 ( 2.012 0.000 0.000) 2.012 11.390 ( -1.908 0.000 0.000) 1.908 11.644 ( 1.639 0.000 0.000) 1.639 11.735 ( -2.445 0.000 0.000) 2.445 11.761 ( 5.723 0.000 0.000) 5.723 11.924 ( -2.010 0.000 0.000) 2.010 12.047 ( 0.668 0.000 0.000) 0.668 12.076 ( -0.587 0.000 0.000) 0.587 12.516 ( 2.623 0.000 0.000) 2.623 12.658 ( 1.715 0.000 0.000) 1.715 12.714 ( -4.135 0.000 0.000) 4.135 12.740 ( -5.271 0.000 0.000) 5.271 13.015 ( 3.890 0.000 0.000) 3.890 13.059 ( 6.021 0.000 0.000) 6.021 13.216 ( -5.934 0.000 0.000) 5.934 13.259 ( -5.289 0.000 0.000) 5.289 13.429 ( 2.965 0.000 0.000) 2.965 13.509 ( -1.554 0.000 0.000) 1.554 13.564 ( 5.310 0.000 0.000) 5.310 13.728 ( -2.812 0.000 0.000) 2.812 13.982 ( 5.674 0.000 0.000) 5.674 14.262 ( -8.565 0.000 0.000) 8.565 14.557 ( 6.866 0.000 0.000) 6.866 14.737 ( -2.832 0.000 0.000) 2.832 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -9.813 0.000 0.000) 9.813 0.428 ( 9.813 0.000 0.000) 9.813 0.973 ( -24.807 0.000 0.000) 24.807 0.973 ( 24.807 0.000 0.000) 24.807 1.857 ( -44.118 0.000 0.000) 44.118 1.857 ( 44.118 0.000 0.000) 44.118 2.292 ( -0.358 0.000 0.000) 0.358 2.292 ( 0.358 0.000 0.000) 0.358 2.580 ( -1.881 0.000 0.000) 1.881 2.580 ( 1.881 0.000 0.000) 1.881 2.786 ( -0.064 0.000 0.000) 0.064 2.786 ( 0.064 0.000 0.000) 0.064 3.185 ( -5.690 0.000 0.000) 5.690 3.185 ( 5.690 0.000 0.000) 5.690 3.258 ( -5.071 0.000 0.000) 5.071 3.258 ( 5.071 0.000 0.000) 5.071 3.685 ( -5.337 0.000 0.000) 5.337 3.685 ( 5.337 0.000 0.000) 5.337 3.706 ( -16.431 0.000 0.000) 16.431 3.706 ( 16.431 0.000 0.000) 16.431 3.803 ( -5.175 0.000 0.000) 5.175 3.803 ( 5.175 0.000 0.000) 5.175 3.892 ( -9.411 0.000 0.000) 9.411 3.892 ( 9.411 0.000 0.000) 9.411 4.351 ( -1.108 0.000 0.000) 1.108 4.351 ( 1.108 0.000 0.000) 1.108 4.505 ( -8.633 0.000 0.000) 8.633 4.505 ( 8.633 0.000 0.000) 8.633 4.663 ( -1.464 0.000 0.000) 1.464 4.663 ( 1.464 0.000 0.000) 1.464 4.761 ( -10.534 0.000 0.000) 10.534 4.761 ( 10.534 0.000 0.000) 10.534 4.855 ( -3.120 0.000 0.000) 3.120 4.855 ( 3.120 0.000 0.000) 3.120 5.272 ( -2.702 0.000 0.000) 2.702 5.272 ( 2.702 0.000 0.000) 2.702 5.363 ( -10.489 0.000 0.000) 10.489 5.363 ( 10.489 0.000 0.000) 10.489 5.455 ( -6.014 0.000 0.000) 6.014 5.455 ( 6.014 0.000 0.000) 6.014 5.703 ( -6.188 0.000 0.000) 6.188 5.703 ( 6.188 0.000 0.000) 6.188 5.772 ( -9.103 0.000 0.000) 9.103 5.772 ( 9.103 0.000 0.000) 9.103 5.940 ( -4.364 0.000 0.000) 4.364 5.940 ( 4.364 0.000 0.000) 4.364 6.131 ( -2.224 0.000 0.000) 2.224 6.131 ( 2.224 0.000 0.000) 2.224 6.364 ( -3.703 0.000 0.000) 3.703 6.364 ( 3.703 0.000 0.000) 3.703 6.379 ( -3.417 0.000 0.000) 3.417 6.379 ( 3.417 0.000 0.000) 3.417 6.512 ( -0.969 0.000 0.000) 0.969 6.512 ( 0.969 0.000 0.000) 0.969 6.634 ( -5.000 0.000 0.000) 5.000 6.634 ( 5.000 0.000 0.000) 5.000 8.040 ( -5.217 0.000 0.000) 5.217 8.040 ( 5.217 0.000 0.000) 5.217 8.203 ( -6.554 0.000 0.000) 6.554 8.203 ( 6.554 0.000 0.000) 6.554 8.544 ( -0.672 0.000 0.000) 0.672 8.544 ( 0.672 0.000 0.000) 0.672 8.706 ( -0.472 0.000 0.000) 0.472 8.706 ( 0.472 0.000 0.000) 0.472 8.755 ( -4.736 0.000 0.000) 4.736 8.755 ( 4.736 0.000 0.000) 4.736 8.922 ( -0.286 0.000 0.000) 0.286 8.922 ( 0.286 0.000 0.000) 0.286 9.101 ( -1.024 0.000 0.000) 1.024 9.101 ( 1.024 0.000 0.000) 1.024 9.139 ( -1.469 0.000 0.000) 1.469 9.139 ( 1.469 0.000 0.000) 1.469 9.379 ( -3.565 0.000 0.000) 3.565 9.379 ( 3.565 0.000 0.000) 3.565 9.930 ( -1.585 0.000 0.000) 1.585 9.930 ( 1.585 0.000 0.000) 1.585 10.822 ( -2.261 0.000 0.000) 2.261 10.822 ( 2.261 0.000 0.000) 2.261 10.967 ( -1.749 0.000 0.000) 1.749 10.967 ( 1.749 0.000 0.000) 1.749 11.087 ( -0.439 0.000 0.000) 0.439 11.087 ( 0.439 0.000 0.000) 0.439 11.202 ( -0.840 0.000 0.000) 0.840 11.202 ( 0.840 0.000 0.000) 0.840 11.346 ( -2.854 0.000 0.000) 2.854 11.346 ( 2.854 0.000 0.000) 2.854 11.685 ( -2.852 0.000 0.000) 2.852 11.685 ( 2.852 0.000 0.000) 2.852 11.863 ( -5.000 0.000 0.000) 5.000 11.863 ( 5.000 0.000 0.000) 5.000 12.062 ( -0.897 0.000 0.000) 0.897 12.062 ( 0.897 0.000 0.000) 0.897 12.594 ( -6.296 0.000 0.000) 6.296 12.594 ( 6.296 0.000 0.000) 6.296 12.694 ( -2.191 0.000 0.000) 2.191 12.694 ( 2.191 0.000 0.000) 2.191 13.106 ( -6.086 0.000 0.000) 6.086 13.106 ( 6.086 0.000 0.000) 6.086 13.162 ( -5.630 0.000 0.000) 5.630 13.162 ( 5.630 0.000 0.000) 5.630 13.475 ( -2.275 0.000 0.000) 2.275 13.475 ( 2.275 0.000 0.000) 2.275 13.658 ( -4.919 0.000 0.000) 4.919 13.658 ( 4.919 0.000 0.000) 4.919 14.110 ( -8.368 0.000 0.000) 8.368 14.110 ( 8.368 0.000 0.000) 8.368 14.665 ( -5.255 0.000 0.000) 5.255 14.665 ( 5.255 0.000 0.000) 5.255 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 0.000 22.568 0.000) 22.568 0.580 ( 0.000 27.353 0.000) 27.353 1.115 ( 0.000 49.695 0.000) 49.695 1.177 ( 0.000 36.764 0.000) 36.764 1.604 ( 0.000 8.859 0.000) 8.859 2.332 ( 0.000 -10.867 0.000) 10.867 2.444 ( 0.000 -2.988 0.000) 2.988 2.453 ( 0.000 -9.792 0.000) 9.792 2.546 ( 0.000 -2.562 0.000) 2.562 2.696 ( 0.000 2.758 0.000) 2.758 2.711 ( 0.000 16.661 0.000) 16.661 3.086 ( 0.000 4.348 0.000) 4.348 3.095 ( 0.000 13.860 0.000) 13.860 3.111 ( 0.000 -7.992 0.000) 7.992 3.290 ( 0.000 -1.113 0.000) 1.113 3.366 ( 0.000 2.250 0.000) 2.250 3.470 ( 0.000 13.876 0.000) 13.876 3.518 ( 0.000 -2.065 0.000) 2.065 3.742 ( 0.000 4.822 0.000) 4.822 3.791 ( 0.000 7.380 0.000) 7.380 3.970 ( 0.000 2.653 0.000) 2.653 4.052 ( 0.000 2.011 0.000) 2.011 4.133 ( 0.000 -3.244 0.000) 3.244 4.213 ( 0.000 -5.329 0.000) 5.329 4.346 ( 0.000 12.195 0.000) 12.195 4.348 ( 0.000 -3.995 0.000) 3.995 4.457 ( 0.000 6.826 0.000) 6.826 4.545 ( 0.000 -2.726 0.000) 2.726 4.597 ( 0.000 12.283 0.000) 12.283 4.643 ( 0.000 0.400 0.000) 0.400 4.725 ( 0.000 1.828 0.000) 1.828 4.791 ( 0.000 3.400 0.000) 3.400 4.866 ( 0.000 -7.767 0.000) 7.767 4.903 ( 0.000 1.233 0.000) 1.233 5.153 ( 0.000 -2.941 0.000) 2.941 5.198 ( 0.000 -3.212 0.000) 3.212 5.288 ( 0.000 2.640 0.000) 2.640 5.349 ( 0.000 -3.664 0.000) 3.664 5.381 ( 0.000 -6.101 0.000) 6.101 5.436 ( 0.000 -7.713 0.000) 7.713 5.506 ( 0.000 -3.879 0.000) 3.879 5.688 ( 0.000 4.465 0.000) 4.465 5.752 ( 0.000 -1.137 0.000) 1.137 5.818 ( 0.000 -3.198 0.000) 3.198 5.968 ( 0.000 -4.014 0.000) 4.014 6.045 ( 0.000 0.521 0.000) 0.521 6.070 ( 0.000 2.209 0.000) 2.209 6.117 ( 0.000 -3.538 0.000) 3.538 6.261 ( 0.000 -2.109 0.000) 2.109 6.266 ( 0.000 -7.120 0.000) 7.120 6.294 ( 0.000 -9.895 0.000) 9.895 6.490 ( 0.000 0.497 0.000) 0.497 6.515 ( 0.000 1.281 0.000) 1.281 6.526 ( 0.000 -2.519 0.000) 2.519 6.581 ( 0.000 -1.451 0.000) 1.451 6.712 ( 0.000 -3.608 0.000) 3.608 7.899 ( 0.000 1.054 0.000) 1.054 8.060 ( 0.000 -0.751 0.000) 0.751 8.103 ( 0.000 -0.387 0.000) 0.387 8.204 ( 0.000 -1.763 0.000) 1.763 8.560 ( 0.000 2.357 0.000) 2.357 8.604 ( 0.000 3.607 0.000) 3.607 8.660 ( 0.000 0.994 0.000) 0.994 8.709 ( 0.000 1.353 0.000) 1.353 8.731 ( 0.000 1.404 0.000) 1.404 8.859 ( 0.000 -1.047 0.000) 1.047 8.863 ( 0.000 -2.840 0.000) 2.840 8.884 ( 0.000 -0.634 0.000) 0.634 9.042 ( 0.000 0.699 0.000) 0.699 9.137 ( 0.000 0.925 0.000) 0.925 9.263 ( 0.000 -1.387 0.000) 1.387 9.273 ( 0.000 9.304 0.000) 9.304 9.408 ( 0.000 -2.484 0.000) 2.484 9.643 ( 0.000 2.288 0.000) 2.288 9.780 ( 0.000 0.094 0.000) 0.094 9.930 ( 0.000 -3.886 0.000) 3.886 10.738 ( 0.000 -4.894 0.000) 4.894 10.787 ( 0.000 -6.720 0.000) 6.720 10.812 ( 0.000 -4.870 0.000) 4.870 10.943 ( 0.000 -4.454 0.000) 4.454 11.190 ( 0.000 6.789 0.000) 6.789 11.197 ( 0.000 6.366 0.000) 6.366 11.261 ( 0.000 0.772 0.000) 0.772 11.342 ( 0.000 -3.486 0.000) 3.486 11.362 ( 0.000 7.786 0.000) 7.786 11.622 ( 0.000 -0.368 0.000) 0.368 11.632 ( 0.000 0.188 0.000) 0.188 11.664 ( 0.000 3.113 0.000) 3.113 11.691 ( 0.000 -4.936 0.000) 4.936 11.695 ( 0.000 -0.521 0.000) 0.521 11.951 ( 0.000 0.802 0.000) 0.802 12.087 ( 0.000 0.312 0.000) 0.312 12.544 ( 0.000 0.267 0.000) 0.267 12.686 ( 0.000 -0.488 0.000) 0.488 12.746 ( 0.000 1.294 0.000) 1.294 12.759 ( 0.000 8.442 0.000) 8.442 12.833 ( 0.000 -0.832 0.000) 0.832 12.950 ( 0.000 -2.503 0.000) 2.503 13.028 ( 0.000 4.906 0.000) 4.906 13.353 ( 0.000 -2.479 0.000) 2.479 13.378 ( 0.000 -7.398 0.000) 7.398 13.498 ( 0.000 -2.293 0.000) 2.293 13.728 ( 0.000 -0.805 0.000) 0.805 13.776 ( 0.000 1.348 0.000) 1.348 13.992 ( 0.000 3.187 0.000) 3.187 14.289 ( 0.000 -7.134 0.000) 7.134 14.417 ( 0.000 -3.097 0.000) 3.097 14.528 ( 0.000 -2.292 0.000) 2.292 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 18.113 20.536 0.000) 27.383 0.828 ( 25.746 15.094 0.000) 29.844 1.148 ( -3.201 36.862 0.000) 37.001 1.259 ( 20.901 37.390 0.000) 42.835 1.460 ( -14.636 9.871 0.000) 17.654 2.212 ( -13.796 -6.778 0.000) 15.371 2.404 ( -3.650 -3.687 0.000) 5.188 2.455 ( -1.756 0.723 0.000) 1.899 2.549 ( 3.113 -6.679 0.000) 7.369 2.671 ( 0.177 7.177 0.000) 7.179 2.787 ( 5.807 10.328 0.000) 11.848 3.041 ( -6.560 15.561 0.000) 16.887 3.042 ( -3.066 -7.880 0.000) 8.456 3.171 ( -9.075 -3.416 0.000) 9.696 3.180 ( 5.890 0.475 0.000) 5.909 3.394 ( -5.726 6.368 0.000) 8.564 3.530 ( 11.867 4.408 0.000) 12.659 3.537 ( 3.155 0.467 0.000) 3.189 3.757 ( 1.361 3.304 0.000) 3.573 3.799 ( -1.567 4.893 0.000) 5.138 3.906 ( -0.079 9.093 0.000) 9.093 3.951 ( -8.628 1.848 0.000) 8.824 4.068 ( -7.853 1.342 0.000) 7.967 4.160 ( -7.162 5.444 0.000) 8.996 4.319 ( 1.831 1.918 0.000) 2.652 4.428 ( 2.682 3.313 0.000) 4.262 4.467 ( 3.986 -2.745 0.000) 4.840 4.468 ( -2.149 5.782 0.000) 6.169 4.643 ( -3.300 -0.999 0.000) 3.448 4.706 ( 3.837 5.632 0.000) 6.815 4.734 ( 0.710 3.483 0.000) 3.554 4.738 ( -3.091 -6.377 0.000) 7.086 4.905 ( 1.849 1.223 0.000) 2.216 4.918 ( 1.152 2.908 0.000) 3.128 5.107 ( 2.169 -5.825 0.000) 6.216 5.274 ( 4.707 0.827 0.000) 4.779 5.280 ( -5.193 -4.497 0.000) 6.870 5.351 ( 5.932 0.900 0.000) 6.000 5.472 ( 8.105 -7.170 0.000) 10.821 5.480 ( -3.356 -3.079 0.000) 4.555 5.507 ( 3.890 -7.737 0.000) 8.660 5.610 ( -5.035 2.424 0.000) 5.588 5.759 ( -0.917 -0.823 0.000) 1.232 5.811 ( -1.512 -4.414 0.000) 4.666 5.963 ( -0.376 -0.048 0.000) 0.379 6.025 ( -1.903 1.407 0.000) 2.367 6.056 ( -0.312 -0.948 0.000) 0.998 6.117 ( -1.444 -3.821 0.000) 4.085 6.218 ( -0.691 -7.017 0.000) 7.051 6.281 ( -1.570 -9.122 0.000) 9.256 6.321 ( 3.543 -2.783 0.000) 4.505 6.472 ( -2.913 -0.349 0.000) 2.934 6.483 ( -0.943 1.265 0.000) 1.578 6.503 ( -1.362 -1.931 0.000) 2.363 6.603 ( 1.977 0.270 0.000) 1.995 6.688 ( -2.302 -2.462 0.000) 3.370 7.951 ( 5.151 0.912 0.000) 5.231 8.091 ( 3.238 -1.163 0.000) 3.441 8.101 ( -1.250 -0.488 0.000) 1.342 8.212 ( -0.870 -3.802 0.000) 3.901 8.574 ( 1.164 2.256 0.000) 2.539 8.600 ( -0.427 3.551 0.000) 3.577 8.682 ( 2.578 0.803 0.000) 2.700 8.712 ( 0.366 1.240 0.000) 1.293 8.728 ( -0.366 1.281 0.000) 1.332 8.816 ( -3.645 -1.543 0.000) 3.958 8.878 ( 1.750 -1.471 0.000) 2.286 8.907 ( 0.864 -1.184 0.000) 1.465 9.039 ( 0.019 0.411 0.000) 0.411 9.105 ( -3.042 1.110 0.000) 3.239 9.266 ( 1.279 4.368 0.000) 4.552 9.317 ( 3.681 3.793 0.000) 5.285 9.381 ( -3.344 -0.332 0.000) 3.360 9.483 ( -8.376 9.458 0.000) 12.634 9.852 ( 3.041 -3.092 0.000) 4.337 9.918 ( -1.269 -3.601 0.000) 3.818 10.731 ( 0.050 -4.788 0.000) 4.789 10.792 ( -2.125 -4.944 0.000) 5.381 10.819 ( 2.676 -6.461 0.000) 6.993 10.910 ( -2.680 -4.366 0.000) 5.123 11.187 ( -0.282 6.319 0.000) 6.325 11.189 ( -0.567 5.912 0.000) 5.939 11.272 ( 1.285 0.574 0.000) 1.407 11.336 ( -1.049 -3.360 0.000) 3.520 11.365 ( 0.281 7.896 0.000) 7.901 11.411 ( -5.786 10.735 0.000) 12.194 11.645 ( 1.474 0.054 0.000) 1.475 11.688 ( -0.378 -3.662 0.000) 3.681 11.752 ( 5.713 -0.734 0.000) 5.760 11.907 ( 8.136 -6.911 0.000) 10.675 11.928 ( -2.678 0.334 0.000) 2.698 12.059 ( -2.923 -1.066 0.000) 3.111 12.572 ( 2.683 1.782 0.000) 3.220 12.703 ( 1.771 3.870 0.000) 4.255 12.717 ( -3.305 0.453 0.000) 3.336 12.802 ( -3.497 4.607 0.000) 5.784 12.895 ( 9.337 -5.790 0.000) 10.986 12.942 ( 1.419 -4.776 0.000) 4.982 13.097 ( 5.419 2.298 0.000) 5.886 13.314 ( -6.124 -3.762 0.000) 7.187 13.369 ( 2.117 -3.136 0.000) 3.784 13.481 ( -1.988 -2.469 0.000) 3.170 13.724 ( -0.379 2.653 0.000) 2.679 13.758 ( -1.745 1.750 0.000) 2.472 13.982 ( 1.849 2.198 0.000) 2.872 14.201 ( -7.355 -4.761 0.000) 8.761 14.488 ( 5.263 -5.417 0.000) 7.553 14.576 ( 2.137 -7.235 0.000) 7.544 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -5.785 33.203 0.000) 33.704 1.060 ( 5.785 33.203 0.000) 33.704 1.128 ( -19.968 15.011 0.000) 24.982 1.128 ( 19.968 15.011 0.000) 24.982 1.813 ( -31.457 4.214 0.000) 31.738 1.813 ( 31.457 4.214 0.000) 31.738 2.392 ( -2.655 0.648 0.000) 2.733 2.392 ( 2.655 0.648 0.000) 2.733 2.641 ( -4.590 0.227 0.000) 4.596 2.641 ( 4.590 0.227 0.000) 4.596 2.899 ( -7.013 15.522 0.000) 17.032 2.899 ( 7.013 15.522 0.000) 17.032 3.045 ( -4.539 -12.742 0.000) 13.526 3.045 ( 4.539 -12.742 0.000) 13.526 3.290 ( -6.122 2.552 0.000) 6.633 3.290 ( 6.122 2.552 0.000) 6.633 3.621 ( -4.302 3.429 0.000) 5.502 3.621 ( 4.302 3.429 0.000) 5.502 3.788 ( -1.598 0.117 0.000) 1.602 3.788 ( 1.598 0.117 0.000) 1.602 3.893 ( -8.810 8.953 0.000) 12.560 3.893 ( 8.810 8.953 0.000) 12.560 4.006 ( -8.303 9.054 0.000) 12.285 4.006 ( 8.303 9.054 0.000) 12.285 4.396 ( -4.278 -0.616 0.000) 4.322 4.396 ( 4.278 -0.616 0.000) 4.322 4.491 ( -4.110 4.210 0.000) 5.884 4.491 ( 4.110 4.210 0.000) 5.884 4.637 ( -5.530 -7.387 0.000) 9.228 4.637 ( 5.530 -7.387 0.000) 9.228 4.750 ( -0.545 4.084 0.000) 4.120 4.750 ( 0.545 4.084 0.000) 4.120 4.922 ( -0.429 4.517 0.000) 4.538 4.922 ( 0.429 4.517 0.000) 4.538 5.191 ( -5.159 -6.248 0.000) 8.103 5.191 ( 5.159 -6.248 0.000) 8.103 5.382 ( -6.993 -0.025 0.000) 6.993 5.382 ( 6.993 -0.025 0.000) 6.993 5.463 ( -6.126 0.516 0.000) 6.148 5.463 ( 6.126 0.516 0.000) 6.148 5.586 ( -2.860 -8.084 0.000) 8.575 5.586 ( 2.860 -8.084 0.000) 8.575 5.757 ( -2.700 -2.652 0.000) 3.785 5.757 ( 2.700 -2.652 0.000) 3.785 5.983 ( -2.546 2.918 0.000) 3.873 5.983 ( 2.546 2.918 0.000) 3.873 6.076 ( -2.157 -4.496 0.000) 4.987 6.076 ( 2.157 -4.496 0.000) 4.987 6.241 ( -2.488 -7.872 0.000) 8.255 6.241 ( 2.488 -7.872 0.000) 8.255 6.396 ( -4.776 -2.005 0.000) 5.180 6.396 ( 4.776 -2.005 0.000) 5.180 6.487 ( -0.762 -0.179 0.000) 0.783 6.487 ( 0.762 -0.179 0.000) 0.783 6.644 ( -2.516 -0.631 0.000) 2.594 6.644 ( 2.516 -0.631 0.000) 2.594 8.047 ( -4.832 0.610 0.000) 4.870 8.047 ( 4.832 0.610 0.000) 4.870 8.160 ( -4.166 -2.708 0.000) 4.969 8.160 ( 4.166 -2.708 0.000) 4.969 8.590 ( -0.682 3.162 0.000) 3.235 8.590 ( 0.682 3.162 0.000) 3.235 8.719 ( -0.603 0.973 0.000) 1.145 8.719 ( 0.603 0.973 0.000) 1.145 8.746 ( -4.028 -0.175 0.000) 4.032 8.746 ( 4.028 -0.175 0.000) 4.032 8.905 ( -1.015 -1.322 0.000) 1.667 8.905 ( 1.015 -1.322 0.000) 1.667 9.056 ( -2.047 0.567 0.000) 2.124 9.056 ( 2.047 0.567 0.000) 2.124 9.310 ( -3.608 4.985 0.000) 6.154 9.310 ( 3.608 4.985 0.000) 6.154 9.387 ( -4.150 4.083 0.000) 5.821 9.387 ( 4.150 4.083 0.000) 5.821 9.890 ( -1.740 -3.120 0.000) 3.572 9.890 ( 1.740 -3.120 0.000) 3.572 10.751 ( -2.052 -4.652 0.000) 5.084 10.751 ( 2.052 -4.652 0.000) 5.084 10.865 ( -2.492 -5.680 0.000) 6.203 10.865 ( 2.492 -5.680 0.000) 6.203 11.184 ( -0.002 5.774 0.000) 5.774 11.184 ( 0.002 5.774 0.000) 5.774 11.303 ( -2.095 -0.555 0.000) 2.167 11.303 ( 2.095 -0.555 0.000) 2.167 11.372 ( -0.575 8.465 0.000) 8.484 11.372 ( 0.575 8.465 0.000) 8.484 11.673 ( -1.391 -1.135 0.000) 1.796 11.673 ( 1.391 -1.135 0.000) 1.796 11.857 ( -5.330 -0.462 0.000) 5.350 11.857 ( 5.330 -0.462 0.000) 5.350 11.998 ( -3.825 -4.070 0.000) 5.586 11.998 ( 3.825 -4.070 0.000) 5.586 12.639 ( -4.759 1.690 0.000) 5.050 12.639 ( 4.759 1.690 0.000) 5.050 12.744 ( -2.825 5.272 0.000) 5.981 12.744 ( 2.825 5.272 0.000) 5.981 12.971 ( -0.203 -6.779 0.000) 6.782 12.971 ( 0.203 -6.779 0.000) 6.782 13.199 ( -6.293 0.039 0.000) 6.293 13.199 ( 6.293 0.039 0.000) 6.293 13.428 ( -3.792 -3.249 0.000) 4.993 13.428 ( 3.792 -3.249 0.000) 4.993 13.729 ( -1.164 3.202 0.000) 3.407 13.729 ( 1.164 3.202 0.000) 3.407 14.069 ( -6.993 -2.243 0.000) 7.344 14.069 ( 6.993 -2.243 0.000) 7.344 14.565 ( -3.011 -7.171 0.000) 7.777 14.565 ( 3.011 -7.171 0.000) 7.777 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 28.497 0.000) 28.497 1.176 ( 0.000 27.689 0.000) 27.689 1.824 ( 0.000 17.494 0.000) 17.494 1.876 ( 0.000 15.876 0.000) 15.876 1.988 ( 0.000 6.927 0.000) 6.927 2.128 ( 0.000 -7.315 0.000) 7.315 2.223 ( 0.000 10.481 0.000) 10.481 2.265 ( 0.000 -17.433 0.000) 17.433 2.548 ( 0.000 11.768 0.000) 11.768 2.699 ( 0.000 -5.952 0.000) 5.952 2.881 ( 0.000 -5.296 0.000) 5.296 2.965 ( 0.000 2.074 0.000) 2.074 3.205 ( 0.000 5.331 0.000) 5.331 3.221 ( 0.000 -5.873 0.000) 5.873 3.410 ( 0.000 10.676 0.000) 10.676 3.533 ( 0.000 13.868 0.000) 13.868 3.660 ( 0.000 12.666 0.000) 12.666 3.733 ( 0.000 7.559 0.000) 7.559 3.801 ( 0.000 -2.491 0.000) 2.491 3.919 ( 0.000 5.242 0.000) 5.242 4.077 ( 0.000 3.292 0.000) 3.292 4.100 ( 0.000 -4.849 0.000) 4.849 4.156 ( 0.000 3.823 0.000) 3.823 4.161 ( 0.000 10.074 0.000) 10.074 4.269 ( 0.000 1.112 0.000) 1.112 4.431 ( 0.000 -4.049 0.000) 4.049 4.446 ( 0.000 -8.987 0.000) 8.987 4.611 ( 0.000 7.909 0.000) 7.909 4.718 ( 0.000 -1.147 0.000) 1.147 4.778 ( 0.000 2.756 0.000) 2.756 4.786 ( 0.000 6.636 0.000) 6.636 4.827 ( 0.000 2.525 0.000) 2.525 4.882 ( 0.000 12.023 0.000) 12.023 4.915 ( 0.000 -0.579 0.000) 0.579 5.048 ( 0.000 -9.684 0.000) 9.684 5.153 ( 0.000 4.780 0.000) 4.780 5.207 ( 0.000 -12.559 0.000) 12.559 5.234 ( 0.000 -7.094 0.000) 7.094 5.288 ( 0.000 -1.929 0.000) 1.929 5.339 ( 0.000 1.979 0.000) 1.979 5.378 ( 0.000 -7.878 0.000) 7.878 5.677 ( 0.000 -10.033 0.000) 10.033 5.742 ( 0.000 1.242 0.000) 1.242 5.802 ( 0.000 5.116 0.000) 5.116 5.876 ( 0.000 -2.764 0.000) 2.764 6.025 ( 0.000 -3.857 0.000) 3.857 6.041 ( 0.000 -3.099 0.000) 3.099 6.044 ( 0.000 -11.730 0.000) 11.730 6.140 ( 0.000 -2.419 0.000) 2.419 6.157 ( 0.000 5.261 0.000) 5.261 6.206 ( 0.000 -2.898 0.000) 2.898 6.431 ( 0.000 -5.827 0.000) 5.827 6.502 ( 0.000 0.822 0.000) 0.822 6.516 ( 0.000 -0.738 0.000) 0.738 6.539 ( 0.000 -2.082 0.000) 2.082 6.621 ( 0.000 -4.368 0.000) 4.368 7.935 ( 0.000 2.185 0.000) 2.185 8.033 ( 0.000 -1.769 0.000) 1.769 8.099 ( 0.000 0.186 0.000) 0.186 8.158 ( 0.000 -2.257 0.000) 2.257 8.621 ( 0.000 2.918 0.000) 2.918 8.679 ( 0.000 0.530 0.000) 0.530 8.693 ( 0.000 4.127 0.000) 4.127 8.745 ( 0.000 1.854 0.000) 1.854 8.767 ( 0.000 1.531 0.000) 1.531 8.818 ( 0.000 -1.124 0.000) 1.124 8.828 ( 0.000 -1.769 0.000) 1.769 8.862 ( 0.000 -1.399 0.000) 1.399 9.088 ( 0.000 3.053 0.000) 3.053 9.173 ( 0.000 2.502 0.000) 2.502 9.222 ( 0.000 -2.451 0.000) 2.451 9.335 ( 0.000 -4.075 0.000) 4.075 9.473 ( 0.000 9.056 0.000) 9.056 9.701 ( 0.000 2.827 0.000) 2.827 9.777 ( 0.000 -0.469 0.000) 0.469 9.817 ( 0.000 -6.397 0.000) 6.397 10.651 ( 0.000 -2.979 0.000) 2.979 10.662 ( 0.000 -4.291 0.000) 4.291 10.734 ( 0.000 -1.920 0.000) 1.920 10.827 ( 0.000 -5.459 0.000) 5.459 11.278 ( 0.000 1.200 0.000) 1.200 11.299 ( 0.000 2.683 0.000) 2.683 11.302 ( 0.000 2.692 0.000) 2.692 11.303 ( 0.000 -0.205 0.000) 0.205 11.511 ( 0.000 4.784 0.000) 4.784 11.600 ( 0.000 -2.805 0.000) 2.805 11.628 ( 0.000 1.308 0.000) 1.308 11.639 ( 0.000 0.476 0.000) 0.476 11.673 ( 0.000 -0.945 0.000) 0.945 11.703 ( 0.000 -0.140 0.000) 0.140 11.977 ( 0.000 1.781 0.000) 1.781 12.078 ( 0.000 -1.451 0.000) 1.451 12.583 ( 0.000 2.866 0.000) 2.866 12.673 ( 0.000 -0.855 0.000) 0.855 12.787 ( 0.000 1.262 0.000) 1.262 12.798 ( 0.000 -1.589 0.000) 1.589 12.918 ( 0.000 1.505 0.000) 1.505 12.967 ( 0.000 10.289 0.000) 10.289 13.123 ( 0.000 0.925 0.000) 0.925 13.242 ( 0.000 -4.900 0.000) 4.900 13.298 ( 0.000 -1.802 0.000) 1.802 13.465 ( 0.000 1.353 0.000) 1.353 13.573 ( 0.000 -11.030 0.000) 11.030 13.750 ( 0.000 -5.054 0.000) 5.054 14.144 ( 0.000 8.738 0.000) 8.738 14.175 ( 0.000 -1.401 0.000) 1.401 14.328 ( 0.000 -4.895 0.000) 4.895 14.452 ( 0.000 -4.781 0.000) 4.781 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 20.844 19.669 0.000) 28.659 1.275 ( 10.462 25.373 0.000) 27.446 1.761 ( -7.776 15.847 0.000) 17.652 1.764 ( -11.507 17.615 0.000) 21.041 2.027 ( 4.053 2.861 0.000) 4.962 2.133 ( 0.473 -4.454 0.000) 4.480 2.249 ( 2.855 14.087 0.000) 14.374 2.280 ( 1.325 -16.226 0.000) 16.280 2.552 ( 0.801 12.573 0.000) 12.598 2.710 ( -1.939 -13.243 0.000) 13.384 2.816 ( -2.089 5.024 0.000) 5.441 3.005 ( 3.994 0.505 0.000) 4.026 3.064 ( -11.122 0.739 0.000) 11.147 3.252 ( 4.814 4.526 0.000) 6.607 3.403 ( -8.983 -2.687 0.000) 9.376 3.504 ( -14.279 10.824 0.000) 17.918 3.647 ( 10.734 10.687 0.000) 15.147 3.689 ( 3.274 10.861 0.000) 11.344 3.815 ( 1.162 0.017 0.000) 1.162 3.941 ( -5.713 5.165 0.000) 7.702 4.106 ( 4.657 7.920 0.000) 9.187 4.113 ( 2.601 -5.336 0.000) 5.937 4.115 ( -1.087 10.779 0.000) 10.834 4.187 ( 1.149 13.323 0.000) 13.372 4.326 ( 6.285 -5.197 0.000) 8.155 4.409 ( -5.603 -9.144 0.000) 10.724 4.410 ( -3.849 -5.253 0.000) 6.512 4.515 ( -4.490 4.913 0.000) 6.655 4.721 ( -2.888 9.022 0.000) 9.473 4.744 ( -4.216 6.809 0.000) 8.008 4.816 ( 2.687 3.208 0.000) 4.185 4.838 ( 0.756 3.251 0.000) 3.338 4.929 ( 4.636 2.110 0.000) 5.094 4.951 ( 4.060 -4.151 0.000) 5.807 5.015 ( -0.879 0.939 0.000) 1.286 5.149 ( -4.295 -7.152 0.000) 8.342 5.222 ( 4.976 -4.282 0.000) 6.565 5.281 ( 2.776 -11.406 0.000) 11.739 5.337 ( 4.366 -2.137 0.000) 4.860 5.375 ( -0.227 -6.902 0.000) 6.905 5.394 ( 5.943 1.338 0.000) 6.092 5.663 ( -3.282 -5.275 0.000) 6.213 5.663 ( -5.186 -1.696 0.000) 5.456 5.768 ( -4.479 1.763 0.000) 4.814 5.900 ( 2.501 -3.097 0.000) 3.981 6.004 ( -2.294 -5.306 0.000) 5.781 6.025 ( -1.509 -8.338 0.000) 8.473 6.033 ( -1.270 -3.686 0.000) 3.898 6.113 ( -0.595 0.565 0.000) 0.821 6.147 ( -1.092 2.905 0.000) 3.104 6.252 ( 3.536 -3.571 0.000) 5.026 6.393 ( -3.788 -5.487 0.000) 6.667 6.500 ( -0.601 0.399 0.000) 0.721 6.502 ( -0.043 0.888 0.000) 0.889 6.568 ( 1.970 -2.655 0.000) 3.306 6.615 ( -0.688 -3.861 0.000) 3.922 7.981 ( 4.573 1.771 0.000) 4.904 8.060 ( 2.708 -1.641 0.000) 3.166 8.097 ( -0.481 0.247 0.000) 0.540 8.153 ( -1.116 -2.168 0.000) 2.439 8.629 ( 1.028 2.698 0.000) 2.888 8.682 ( -1.204 3.561 0.000) 3.760 8.698 ( 1.608 0.141 0.000) 1.614 8.748 ( 0.616 2.093 0.000) 2.182 8.756 ( -1.333 0.611 0.000) 1.466 8.797 ( -1.557 0.388 0.000) 1.604 8.843 ( 1.475 -1.894 0.000) 2.400 8.875 ( 0.519 -1.812 0.000) 1.885 9.087 ( 0.268 3.478 0.000) 3.489 9.150 ( -2.311 3.033 0.000) 3.813 9.243 ( 2.145 -2.755 0.000) 3.492 9.321 ( -1.467 -3.883 0.000) 4.151 9.497 ( 2.590 8.850 0.000) 9.221 9.644 ( -4.827 5.610 0.000) 7.401 9.799 ( 1.248 -2.255 0.000) 2.577 9.816 ( -0.119 -5.699 0.000) 5.700 10.647 ( 0.559 -2.580 0.000) 2.640 10.697 ( 2.824 -4.536 0.000) 5.344 10.713 ( -2.125 -1.928 0.000) 2.869 10.803 ( -2.479 -5.091 0.000) 5.663 11.273 ( -0.444 1.442 0.000) 1.509 11.282 ( -1.259 1.745 0.000) 2.152 11.298 ( -0.060 2.053 0.000) 2.054 11.303 ( -0.400 0.699 0.000) 0.806 11.518 ( 0.724 4.943 0.000) 4.996 11.566 ( -3.015 4.225 0.000) 5.191 11.615 ( 1.537 -2.486 0.000) 2.923 11.643 ( 0.642 -0.450 0.000) 0.785 11.737 ( 6.139 -0.164 0.000) 6.141 11.811 ( 7.256 -2.734 0.000) 7.754 11.944 ( -3.715 1.357 0.000) 3.955 12.033 ( -4.719 -1.615 0.000) 4.988 12.611 ( 2.810 2.409 0.000) 3.702 12.711 ( 4.087 -1.772 0.000) 4.455 12.739 ( -3.324 1.386 0.000) 3.602 12.838 ( 0.803 -3.980 0.000) 4.060 12.905 ( -0.085 4.926 0.000) 4.927 12.967 ( -0.398 7.968 0.000) 7.978 13.136 ( 1.494 -0.547 0.000) 1.591 13.221 ( -2.299 -4.313 0.000) 4.887 13.315 ( 2.361 -0.770 0.000) 2.483 13.444 ( -2.454 1.121 0.000) 2.698 13.610 ( 3.562 -9.988 0.000) 10.604 13.728 ( -2.310 -5.684 0.000) 6.136 14.122 ( -1.812 8.554 0.000) 8.744 14.143 ( -2.697 1.162 0.000) 2.937 14.359 ( 2.840 -6.198 0.000) 6.818 14.444 ( -1.105 -5.984 0.000) 6.085 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.214 16.870 0.000) 16.914 1.476 ( 1.214 16.870 0.000) 16.914 1.567 ( -4.132 17.685 0.000) 18.162 1.567 ( 4.132 17.685 0.000) 18.162 2.106 ( -3.875 -2.169 0.000) 4.440 2.106 ( 3.875 -2.169 0.000) 4.440 2.295 ( -0.910 4.140 0.000) 4.238 2.295 ( 0.910 4.140 0.000) 4.238 2.604 ( -5.830 -0.152 0.000) 5.832 2.604 ( 5.830 -0.152 0.000) 5.832 2.892 ( -8.009 2.313 0.000) 8.336 2.892 ( 8.009 2.313 0.000) 8.336 3.145 ( -13.036 0.875 0.000) 13.065 3.145 ( 13.036 0.875 0.000) 13.065 3.355 ( -6.516 4.275 0.000) 7.793 3.355 ( 6.516 4.275 0.000) 7.793 3.753 ( -1.273 6.290 0.000) 6.418 3.753 ( 1.273 6.290 0.000) 6.418 3.838 ( -2.790 6.003 0.000) 6.620 3.838 ( 2.790 6.003 0.000) 6.620 4.142 ( -2.622 2.832 0.000) 3.859 4.142 ( 2.622 2.832 0.000) 3.859 4.173 ( -1.949 13.853 0.000) 13.990 4.173 ( 1.949 13.853 0.000) 13.990 4.333 ( -1.349 -4.442 0.000) 4.642 4.333 ( 1.349 -4.442 0.000) 4.642 4.448 ( -5.605 -5.083 0.000) 7.567 4.448 ( 5.605 -5.083 0.000) 7.567 4.684 ( -0.816 10.123 0.000) 10.156 4.684 ( 0.816 10.123 0.000) 10.156 4.844 ( -0.339 3.094 0.000) 3.113 4.844 ( 0.339 3.094 0.000) 3.113 4.983 ( -1.001 -2.521 0.000) 2.713 4.983 ( 1.001 -2.521 0.000) 2.713 5.064 ( -5.211 -1.556 0.000) 5.438 5.064 ( 5.211 -1.556 0.000) 5.438 5.291 ( -2.212 -9.402 0.000) 9.658 5.291 ( 2.212 -9.402 0.000) 9.658 5.382 ( -0.184 -5.613 0.000) 5.616 5.382 ( 0.184 -5.613 0.000) 5.616 5.523 ( -8.068 1.423 0.000) 8.193 5.523 ( 8.068 1.423 0.000) 8.193 5.677 ( -3.919 -3.642 0.000) 5.350 5.677 ( 3.919 -3.642 0.000) 5.350 5.954 ( -3.260 -4.550 0.000) 5.597 5.954 ( 3.260 -4.550 0.000) 5.597 6.013 ( -0.367 -4.594 0.000) 4.608 6.013 ( 0.367 -4.594 0.000) 4.608 6.124 ( -1.301 1.312 0.000) 1.848 6.124 ( 1.301 1.312 0.000) 1.848 6.319 ( -4.156 -4.509 0.000) 6.132 6.319 ( 4.156 -4.509 0.000) 6.132 6.499 ( -0.259 0.920 0.000) 0.956 6.499 ( 0.259 0.920 0.000) 0.956 6.597 ( -1.362 -3.154 0.000) 3.435 6.597 ( 1.362 -3.154 0.000) 3.435 8.064 ( -3.778 0.874 0.000) 3.877 8.064 ( 3.778 0.874 0.000) 3.877 8.112 ( -2.994 -1.683 0.000) 3.434 8.112 ( 2.994 -1.683 0.000) 3.434 8.655 ( -1.726 2.742 0.000) 3.240 8.655 ( 1.726 2.742 0.000) 3.240 8.726 ( -1.706 -0.399 0.000) 1.752 8.726 ( 1.706 -0.399 0.000) 1.752 8.770 ( -1.545 2.107 0.000) 2.613 8.770 ( 1.545 2.107 0.000) 2.613 8.869 ( -1.130 -2.035 0.000) 2.327 8.869 ( 1.130 -2.035 0.000) 2.327 9.107 ( -2.063 3.728 0.000) 4.261 9.107 ( 2.063 3.728 0.000) 4.261 9.286 ( -2.420 -3.356 0.000) 4.138 9.286 ( 2.420 -3.356 0.000) 4.138 9.560 ( -4.406 7.985 0.000) 9.120 9.560 ( 4.406 7.985 0.000) 9.120 9.812 ( -0.381 -4.100 0.000) 4.117 9.812 ( 0.381 -4.100 0.000) 4.117 10.672 ( -2.152 -2.070 0.000) 2.986 10.672 ( 2.152 -2.070 0.000) 2.986 10.751 ( -3.160 -4.797 0.000) 5.744 10.751 ( 3.160 -4.797 0.000) 5.744 11.269 ( -0.154 1.647 0.000) 1.654 11.269 ( 0.154 1.647 0.000) 1.654 11.298 ( -0.096 1.118 0.000) 1.122 11.298 ( 0.096 1.118 0.000) 1.122 11.534 ( -1.104 5.117 0.000) 5.235 11.534 ( 1.104 5.117 0.000) 5.235 11.642 ( -0.999 -1.595 0.000) 1.882 11.642 ( 0.999 -1.595 0.000) 1.882 11.853 ( -6.331 0.483 0.000) 6.350 11.853 ( 6.331 0.483 0.000) 6.350 11.931 ( -6.473 -2.311 0.000) 6.873 11.931 ( 6.473 -2.311 0.000) 6.873 12.673 ( -3.950 2.031 0.000) 4.442 12.673 ( 3.950 2.031 0.000) 4.442 12.793 ( -4.493 -2.825 0.000) 5.307 12.793 ( 4.493 -2.825 0.000) 5.307 12.940 ( -2.549 5.067 0.000) 5.672 12.940 ( 2.549 5.067 0.000) 5.672 13.174 ( -2.651 -2.780 0.000) 3.842 13.174 ( 2.651 -2.780 0.000) 3.842 13.380 ( -4.389 0.562 0.000) 4.425 13.380 ( 4.389 0.562 0.000) 4.425 13.676 ( -3.498 -7.690 0.000) 8.448 13.676 ( 3.498 -7.690 0.000) 8.448 14.108 ( -0.721 5.767 0.000) 5.811 14.108 ( 0.721 5.767 0.000) 5.811 14.410 ( -2.650 -7.054 0.000) 7.535 14.410 ( 2.650 -7.054 0.000) 7.535 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 -27.189 0.000) 27.189 1.549 ( 0.000 27.189 0.000) 27.189 1.749 ( 0.000 -24.187 0.000) 24.187 1.749 ( 0.000 24.187 0.000) 24.187 2.026 ( 0.000 -2.214 0.000) 2.214 2.026 ( 0.000 2.214 0.000) 2.214 2.251 ( 0.000 -17.379 0.000) 17.379 2.251 ( 0.000 17.379 0.000) 17.379 2.913 ( 0.000 -4.580 0.000) 4.580 2.913 ( 0.000 4.580 0.000) 4.580 2.943 ( 0.000 -18.547 0.000) 18.547 2.943 ( 0.000 18.547 0.000) 18.547 2.982 ( 0.000 -24.433 0.000) 24.433 2.982 ( 0.000 24.433 0.000) 24.433 3.630 ( 0.000 -6.797 0.000) 6.797 3.630 ( 0.000 6.797 0.000) 6.797 3.836 ( 0.000 -2.642 0.000) 2.642 3.836 ( 0.000 2.642 0.000) 2.642 3.931 ( 0.000 -10.775 0.000) 10.775 3.931 ( 0.000 10.775 0.000) 10.775 4.075 ( 0.000 -5.014 0.000) 5.014 4.075 ( 0.000 5.014 0.000) 5.014 4.123 ( 0.000 -11.675 0.000) 11.675 4.123 ( 0.000 11.675 0.000) 11.675 4.404 ( 0.000 -2.413 0.000) 2.413 4.404 ( 0.000 2.413 0.000) 2.413 4.502 ( 0.000 -13.179 0.000) 13.179 4.502 ( 0.000 13.179 0.000) 13.179 4.819 ( 0.000 -1.030 0.000) 1.030 4.819 ( 0.000 1.030 0.000) 1.030 4.850 ( 0.000 -9.396 0.000) 9.396 4.850 ( 0.000 9.396 0.000) 9.396 4.911 ( 0.000 -1.413 0.000) 1.413 4.911 ( 0.000 1.413 0.000) 1.413 5.052 ( 0.000 -8.374 0.000) 8.374 5.052 ( 0.000 8.374 0.000) 8.374 5.170 ( 0.000 -10.851 0.000) 10.851 5.170 ( 0.000 10.851 0.000) 10.851 5.270 ( 0.000 -1.397 0.000) 1.397 5.270 ( 0.000 1.397 0.000) 1.397 5.438 ( 0.000 -10.088 0.000) 10.088 5.438 ( 0.000 10.088 0.000) 10.088 5.819 ( 0.000 -4.473 0.000) 4.473 5.819 ( 0.000 4.473 0.000) 4.473 5.871 ( 0.000 -3.276 0.000) 3.276 5.871 ( 0.000 3.276 0.000) 3.276 5.980 ( 0.000 -2.193 0.000) 2.193 5.980 ( 0.000 2.193 0.000) 2.193 6.148 ( 0.000 -1.986 0.000) 1.986 6.148 ( 0.000 1.986 0.000) 1.986 6.289 ( 0.000 -6.793 0.000) 6.793 6.289 ( 0.000 6.793 0.000) 6.793 6.509 ( 0.000 -0.467 0.000) 0.467 6.509 ( 0.000 0.467 0.000) 0.467 6.540 ( 0.000 -2.865 0.000) 2.865 6.540 ( 0.000 2.865 0.000) 2.865 7.987 ( 0.000 -2.404 0.000) 2.404 7.987 ( 0.000 2.404 0.000) 2.404 8.116 ( 0.000 -1.457 0.000) 1.457 8.116 ( 0.000 1.457 0.000) 1.457 8.671 ( 0.000 -1.432 0.000) 1.432 8.671 ( 0.000 1.432 0.000) 1.432 8.762 ( 0.000 -2.036 0.000) 2.036 8.762 ( 0.000 2.036 0.000) 2.036 8.787 ( 0.000 -1.966 0.000) 1.966 8.787 ( 0.000 1.966 0.000) 1.966 8.828 ( 0.000 -1.635 0.000) 1.635 8.828 ( 0.000 1.635 0.000) 1.635 9.159 ( 0.000 -3.299 0.000) 3.299 9.159 ( 0.000 3.299 0.000) 3.299 9.244 ( 0.000 -3.997 0.000) 3.997 9.244 ( 0.000 3.997 0.000) 3.997 9.659 ( 0.000 -8.109 0.000) 8.109 9.659 ( 0.000 8.109 0.000) 8.109 9.753 ( 0.000 -1.817 0.000) 1.817 9.753 ( 0.000 1.817 0.000) 1.817 10.616 ( 0.000 -0.016 0.000) 0.016 10.616 ( 0.000 0.016 0.000) 0.016 10.739 ( 0.000 -2.347 0.000) 2.347 10.739 ( 0.000 2.347 0.000) 2.347 11.309 ( 0.000 -1.174 0.000) 1.174 11.309 ( 0.000 1.174 0.000) 1.174 11.315 ( 0.000 -0.738 0.000) 0.738 11.315 ( 0.000 0.738 0.000) 0.738 11.566 ( 0.000 -1.111 0.000) 1.111 11.566 ( 0.000 1.111 0.000) 1.111 11.653 ( 0.000 -0.828 0.000) 0.828 11.653 ( 0.000 0.828 0.000) 0.828 11.673 ( 0.000 -2.251 0.000) 2.251 11.673 ( 0.000 2.251 0.000) 2.251 12.029 ( 0.000 -2.739 0.000) 2.739 12.029 ( 0.000 2.739 0.000) 2.739 12.642 ( 0.000 -2.156 0.000) 2.156 12.642 ( 0.000 2.156 0.000) 2.156 12.783 ( 0.000 -0.276 0.000) 0.276 12.783 ( 0.000 0.276 0.000) 0.276 13.033 ( 0.000 -7.091 0.000) 7.091 13.033 ( 0.000 7.091 0.000) 7.091 13.152 ( 0.000 -5.201 0.000) 5.201 13.152 ( 0.000 5.201 0.000) 5.201 13.343 ( 0.000 -7.841 0.000) 7.841 13.343 ( 0.000 7.841 0.000) 7.841 13.587 ( 0.000 -8.302 0.000) 8.302 13.587 ( 0.000 8.302 0.000) 8.302 14.222 ( 0.000 -4.453 0.000) 4.453 14.222 ( 0.000 4.453 0.000) 4.453 14.321 ( 0.000 -7.319 0.000) 7.319 14.321 ( 0.000 7.319 0.000) 7.319 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 8.996 -22.851 0.000) 24.558 1.636 ( 8.996 22.851 0.000) 24.558 1.814 ( 6.523 -23.108 0.000) 24.011 1.814 ( 6.523 23.108 0.000) 24.011 1.984 ( -4.351 -6.830 0.000) 8.098 1.984 ( -4.351 6.830 0.000) 8.098 2.180 ( -7.686 -19.667 0.000) 21.115 2.180 ( -7.686 19.667 0.000) 21.115 2.922 ( 0.699 -3.448 0.000) 3.518 2.922 ( 0.699 3.448 0.000) 3.518 2.937 ( -0.537 -15.035 0.000) 15.045 2.937 ( -0.537 15.035 0.000) 15.045 3.028 ( 5.681 -22.278 0.000) 22.991 3.028 ( 5.681 22.278 0.000) 22.991 3.452 ( -15.004 -7.087 0.000) 16.594 3.452 ( -15.004 7.087 0.000) 16.594 3.874 ( 4.024 -4.835 0.000) 6.291 3.874 ( 4.024 4.835 0.000) 6.291 3.994 ( 0.471 -11.348 0.000) 11.358 3.994 ( 0.471 11.348 0.000) 11.358 4.100 ( 3.481 -5.363 0.000) 6.393 4.100 ( 3.481 5.363 0.000) 6.393 4.103 ( -1.272 -11.516 0.000) 11.586 4.103 ( -1.272 11.516 0.000) 11.586 4.379 ( -0.143 -1.961 0.000) 1.967 4.379 ( -0.143 1.961 0.000) 1.967 4.519 ( 0.316 -10.337 0.000) 10.342 4.519 ( 0.316 10.337 0.000) 10.342 4.832 ( 0.307 -2.213 0.000) 2.234 4.832 ( 0.307 2.213 0.000) 2.234 4.834 ( -1.488 -3.375 0.000) 3.688 4.834 ( -1.488 3.375 0.000) 3.688 4.936 ( 2.739 -4.355 0.000) 5.145 4.936 ( 2.739 4.355 0.000) 5.145 5.018 ( -2.344 -7.094 0.000) 7.471 5.018 ( -2.344 7.094 0.000) 7.471 5.199 ( 2.321 -7.443 0.000) 7.796 5.199 ( 2.321 7.443 0.000) 7.796 5.270 ( -0.660 -5.263 0.000) 5.304 5.270 ( -0.660 5.263 0.000) 5.304 5.472 ( 4.387 -7.011 0.000) 8.271 5.472 ( 4.387 7.011 0.000) 8.271 5.743 ( -7.624 -4.519 0.000) 8.863 5.743 ( -7.624 4.519 0.000) 8.863 5.885 ( 1.511 -2.728 0.000) 3.119 5.885 ( 1.511 2.728 0.000) 3.119 5.958 ( -2.030 -2.218 0.000) 3.007 5.958 ( -2.030 2.218 0.000) 3.007 6.172 ( 2.090 -3.632 0.000) 4.191 6.172 ( 2.090 3.632 0.000) 4.191 6.262 ( -2.683 -6.261 0.000) 6.811 6.262 ( -2.683 6.261 0.000) 6.811 6.518 ( 0.885 -1.593 0.000) 1.823 6.518 ( 0.885 1.593 0.000) 1.823 6.540 ( -0.118 -2.760 0.000) 2.762 6.540 ( -0.118 2.760 0.000) 2.762 8.021 ( 3.465 -1.904 0.000) 3.954 8.021 ( 3.465 1.904 0.000) 3.954 8.114 ( -0.549 -1.331 0.000) 1.440 8.114 ( -0.549 1.331 0.000) 1.440 8.679 ( 0.943 -1.782 0.000) 2.016 8.679 ( 0.943 1.782 0.000) 2.016 8.740 ( -2.050 -1.754 0.000) 2.698 8.740 ( -2.050 1.754 0.000) 2.698 8.797 ( 1.138 -2.298 0.000) 2.564 8.797 ( 1.138 2.298 0.000) 2.564 8.831 ( -0.003 -2.119 0.000) 2.119 8.831 ( -0.003 2.119 0.000) 2.119 9.170 ( 1.221 -3.881 0.000) 4.068 9.170 ( 1.221 3.881 0.000) 4.068 9.231 ( -1.458 -4.243 0.000) 4.486 9.231 ( -1.458 4.243 0.000) 4.486 9.674 ( 1.535 -7.477 0.000) 7.632 9.674 ( 1.535 7.477 0.000) 7.632 9.740 ( -1.436 -3.440 0.000) 3.728 9.740 ( -1.436 3.440 0.000) 3.728 10.632 ( 1.753 -1.301 0.000) 2.183 10.632 ( 1.753 1.301 0.000) 2.183 10.718 ( -2.158 -2.344 0.000) 3.186 10.718 ( -2.158 2.344 0.000) 3.186 11.304 ( -0.422 -1.198 0.000) 1.271 11.304 ( -0.422 1.198 0.000) 1.271 11.306 ( -0.746 -0.892 0.000) 1.163 11.306 ( -0.746 0.892 0.000) 1.163 11.579 ( 1.320 -1.510 0.000) 2.005 11.579 ( 1.320 1.510 0.000) 2.005 11.621 ( -1.073 -1.535 0.000) 1.873 11.621 ( -1.073 1.535 0.000) 1.873 11.761 ( 6.684 -2.052 0.000) 6.992 11.761 ( 6.684 2.052 0.000) 6.992 11.987 ( -4.482 -2.420 0.000) 5.094 11.987 ( -4.482 2.420 0.000) 5.094 12.667 ( 2.694 -2.420 0.000) 3.621 12.667 ( 2.694 2.420 0.000) 3.621 12.773 ( -1.500 -2.058 0.000) 2.547 12.773 ( -1.500 2.058 0.000) 2.547 13.039 ( 0.883 -6.846 0.000) 6.903 13.039 ( 0.883 6.846 0.000) 6.903 13.120 ( -2.880 -5.516 0.000) 6.222 13.120 ( -2.880 5.516 0.000) 6.222 13.394 ( 4.868 -8.229 0.000) 9.561 13.394 ( 4.868 8.229 0.000) 9.561 13.560 ( -3.025 -8.152 0.000) 8.696 13.560 ( -3.025 8.152 0.000) 8.696 14.229 ( 0.885 -5.613 0.000) 5.682 14.229 ( 0.885 5.613 0.000) 5.682 14.299 ( -2.226 -7.561 0.000) 7.882 14.299 ( -2.226 7.561 0.000) 7.882 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -9.011 -15.760 0.000) 18.154 1.813 ( 9.011 -15.760 0.000) 18.154 1.813 ( -9.011 15.760 0.000) 18.154 1.813 ( 9.011 15.760 0.000) 18.154 2.014 ( -9.567 -21.463 0.000) 23.499 2.014 ( 9.567 -21.463 0.000) 23.499 2.014 ( -9.567 21.463 0.000) 23.499 2.014 ( 9.567 21.463 0.000) 23.499 2.929 ( -0.281 -7.239 0.000) 7.245 2.929 ( 0.281 -7.239 0.000) 7.245 2.929 ( -0.281 7.239 0.000) 7.245 2.929 ( 0.281 7.239 0.000) 7.245 3.194 ( -12.925 -12.565 0.000) 18.026 3.194 ( 12.925 -12.565 0.000) 18.026 3.194 ( -12.925 12.565 0.000) 18.026 3.194 ( 12.925 12.565 0.000) 18.026 3.953 ( -4.040 -7.111 0.000) 8.179 3.953 ( 4.040 -7.111 0.000) 8.179 3.953 ( -4.040 7.111 0.000) 8.179 3.953 ( 4.040 7.111 0.000) 8.179 4.106 ( -1.577 -8.996 0.000) 9.133 4.106 ( 1.577 -8.996 0.000) 9.133 4.106 ( -1.577 8.996 0.000) 9.133 4.106 ( 1.577 8.996 0.000) 9.133 4.459 ( -6.735 -3.773 0.000) 7.720 4.459 ( 6.735 -3.773 0.000) 7.720 4.459 ( -6.735 3.773 0.000) 7.720 4.459 ( 6.735 3.773 0.000) 7.720 4.824 ( -0.558 -4.146 0.000) 4.183 4.824 ( 0.558 -4.146 0.000) 4.183 4.824 ( -0.558 4.146 0.000) 4.183 4.824 ( 0.558 4.146 0.000) 4.183 4.984 ( -2.142 -6.159 0.000) 6.521 4.984 ( 2.142 -6.159 0.000) 6.521 4.984 ( -2.142 6.159 0.000) 6.521 4.984 ( 2.142 6.159 0.000) 6.521 5.240 ( -2.309 -6.137 0.000) 6.557 5.240 ( 2.309 -6.137 0.000) 6.557 5.240 ( -2.309 6.137 0.000) 6.557 5.240 ( 2.309 6.137 0.000) 6.557 5.592 ( -8.547 -4.592 0.000) 9.702 5.592 ( 8.547 -4.592 0.000) 9.702 5.592 ( -8.547 4.592 0.000) 9.702 5.592 ( 8.547 4.592 0.000) 9.702 5.919 ( -2.231 -2.090 0.000) 3.057 5.919 ( 2.231 -2.090 0.000) 3.057 5.919 ( -2.231 2.090 0.000) 3.057 5.919 ( 2.231 2.090 0.000) 3.057 6.213 ( -2.593 -5.106 0.000) 5.727 6.213 ( 2.593 -5.106 0.000) 5.727 6.213 ( -2.593 5.106 0.000) 5.727 6.213 ( 2.593 5.106 0.000) 5.727 6.533 ( -0.713 -2.402 0.000) 2.505 6.533 ( 0.713 -2.402 0.000) 2.505 6.533 ( -0.713 2.402 0.000) 2.505 6.533 ( 0.713 2.402 0.000) 2.505 8.084 ( -2.984 -1.056 0.000) 3.165 8.084 ( -2.984 1.056 0.000) 3.165 8.084 ( 2.984 -1.056 0.000) 3.165 8.084 ( 2.984 1.056 0.000) 3.165 8.704 ( -1.824 -1.688 0.000) 2.485 8.704 ( 1.824 -1.688 0.000) 2.485 8.704 ( -1.824 1.688 0.000) 2.485 8.704 ( 1.824 1.688 0.000) 2.485 8.820 ( -1.192 -2.394 0.000) 2.674 8.820 ( 1.192 -2.394 0.000) 2.674 8.820 ( -1.192 2.394 0.000) 2.674 8.820 ( 1.192 2.394 0.000) 2.674 9.199 ( -1.924 -4.439 0.000) 4.838 9.199 ( 1.924 -4.439 0.000) 4.838 9.199 ( -1.924 4.439 0.000) 4.838 9.199 ( 1.924 4.439 0.000) 4.838 9.707 ( -2.093 -5.763 0.000) 6.131 9.707 ( 2.093 -5.763 0.000) 6.131 9.707 ( -2.093 5.763 0.000) 6.131 9.707 ( 2.093 5.763 0.000) 6.131 10.673 ( -2.656 -2.097 0.000) 3.384 10.673 ( 2.656 -2.097 0.000) 3.384 10.673 ( -2.656 2.097 0.000) 3.384 10.673 ( 2.656 2.097 0.000) 3.384 11.299 ( -0.017 -1.144 0.000) 1.144 11.299 ( 0.017 -1.144 0.000) 1.144 11.299 ( -0.017 1.144 0.000) 1.144 11.299 ( 0.017 1.144 0.000) 1.144 11.604 ( -1.229 -2.106 0.000) 2.439 11.604 ( 1.229 -2.106 0.000) 2.439 11.604 ( -1.229 2.106 0.000) 2.439 11.604 ( 1.229 2.106 0.000) 2.439 11.884 ( -6.832 -2.069 0.000) 7.139 11.884 ( -6.832 2.069 0.000) 7.139 11.884 ( 6.832 -2.069 0.000) 7.139 11.884 ( 6.832 2.069 0.000) 7.139 12.726 ( -3.550 -2.826 0.000) 4.538 12.726 ( 3.550 -2.826 0.000) 4.538 12.726 ( -3.550 2.826 0.000) 4.538 12.726 ( 3.550 2.826 0.000) 4.538 13.070 ( -2.505 -6.093 0.000) 6.588 13.070 ( 2.505 -6.093 0.000) 6.588 13.070 ( -2.505 6.093 0.000) 6.588 13.070 ( 2.505 6.093 0.000) 6.588 13.486 ( -5.106 -8.230 0.000) 9.685 13.486 ( 5.106 -8.230 0.000) 9.685 13.486 ( -5.106 8.230 0.000) 9.685 13.486 ( 5.106 8.230 0.000) 9.685 14.257 ( -2.237 -7.241 0.000) 7.579 14.257 ( 2.237 -7.241 0.000) 7.579 14.257 ( -2.237 7.241 0.000) 7.579 14.257 ( 2.237 7.241 0.000) 7.579 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 0.000 25.341) 25.341 0.570 ( 0.000 0.000 26.757) 26.757 0.844 ( 0.000 0.000 18.453) 18.453 0.894 ( 0.000 0.000 44.289) 44.289 1.665 ( 0.000 0.000 14.197) 14.197 2.234 ( 0.000 0.000 -17.920) 17.920 2.353 ( 0.000 0.000 -3.179) 3.179 2.412 ( 0.000 0.000 -18.351) 18.351 2.538 ( 0.000 0.000 -1.482) 1.482 2.553 ( 0.000 0.000 3.473) 3.473 2.560 ( 0.000 0.000 1.061) 1.061 2.894 ( 0.000 0.000 -13.275) 13.275 3.118 ( 0.000 0.000 4.055) 4.055 3.203 ( 0.000 0.000 -9.315) 9.315 3.220 ( 0.000 0.000 1.813) 1.813 3.270 ( 0.000 0.000 -4.140) 4.140 3.326 ( 0.000 0.000 -1.819) 1.819 3.454 ( 0.000 0.000 -14.382) 14.382 3.466 ( 0.000 0.000 -13.574) 13.574 3.571 ( 0.000 0.000 -11.001) 11.001 3.825 ( 0.000 0.000 -15.350) 15.350 4.015 ( 0.000 0.000 -7.641) 7.641 4.101 ( 0.000 0.000 -8.323) 8.323 4.126 ( 0.000 0.000 2.646) 2.646 4.191 ( 0.000 0.000 -11.293) 11.293 4.197 ( 0.000 0.000 -14.939) 14.939 4.328 ( 0.000 0.000 -20.170) 20.170 4.412 ( 0.000 0.000 2.438) 2.438 4.509 ( 0.000 0.000 -5.036) 5.036 4.551 ( 0.000 0.000 -11.278) 11.278 4.723 ( 0.000 0.000 4.608) 4.608 4.731 ( 0.000 0.000 -2.302) 2.302 4.851 ( 0.000 0.000 -3.812) 3.812 4.872 ( 0.000 0.000 -0.649) 0.649 5.024 ( 0.000 0.000 -12.927) 12.927 5.205 ( 0.000 0.000 -4.761) 4.761 5.325 ( 0.000 0.000 -16.594) 16.594 5.434 ( 0.000 0.000 -3.688) 3.688 5.546 ( 0.000 0.000 24.107) 24.107 5.577 ( 0.000 0.000 -15.000) 15.000 5.600 ( 0.000 0.000 18.317) 18.317 5.709 ( 0.000 0.000 2.044) 2.044 5.763 ( 0.000 0.000 15.680) 15.680 6.035 ( 0.000 0.000 1.760) 1.760 6.074 ( 0.000 0.000 7.884) 7.884 6.167 ( 0.000 0.000 0.290) 0.290 6.188 ( 0.000 0.000 15.473) 15.473 6.263 ( 0.000 0.000 -6.805) 6.805 6.398 ( 0.000 0.000 2.880) 2.880 6.484 ( 0.000 0.000 19.585) 19.585 6.493 ( 0.000 0.000 3.050) 3.050 6.519 ( 0.000 0.000 6.545) 6.545 6.707 ( 0.000 0.000 11.607) 11.607 6.757 ( 0.000 0.000 0.272) 0.272 6.778 ( 0.000 0.000 18.118) 18.118 7.048 ( 0.000 0.000 7.771) 7.771 7.889 ( 0.000 0.000 0.065) 0.065 8.114 ( 0.000 0.000 -1.676) 1.676 8.126 ( 0.000 0.000 1.700) 1.700 8.259 ( 0.000 0.000 -0.677) 0.677 8.540 ( 0.000 0.000 0.726) 0.726 8.568 ( 0.000 0.000 0.689) 0.689 8.659 ( 0.000 0.000 1.079) 1.079 8.715 ( 0.000 0.000 1.912) 1.912 8.736 ( 0.000 0.000 1.877) 1.877 8.886 ( 0.000 0.000 -0.368) 0.368 8.945 ( 0.000 0.000 5.431) 5.431 9.083 ( 0.000 0.000 -0.099) 0.099 9.112 ( 0.000 0.000 0.199) 0.199 9.117 ( 0.000 0.000 0.012) 0.012 9.174 ( 0.000 0.000 -0.137) 0.137 9.199 ( 0.000 0.000 2.829) 2.829 9.427 ( 0.000 0.000 -0.724) 0.724 9.538 ( 0.000 0.000 -4.111) 4.111 9.753 ( 0.000 0.000 -1.627) 1.627 10.432 ( 0.000 0.000 -8.002) 8.002 10.777 ( 0.000 0.000 -1.881) 1.881 10.937 ( 0.000 0.000 2.807) 2.807 10.961 ( 0.000 0.000 -0.466) 0.466 11.053 ( 0.000 0.000 4.012) 4.012 11.077 ( 0.000 0.000 0.024) 0.024 11.096 ( 0.000 0.000 -0.051) 0.051 11.178 ( 0.000 0.000 -0.356) 0.356 11.211 ( 0.000 0.000 -0.789) 0.789 11.290 ( 0.000 0.000 0.666) 0.666 11.415 ( 0.000 0.000 0.539) 0.539 11.631 ( 0.000 0.000 0.305) 0.305 11.633 ( 0.000 0.000 0.314) 0.314 11.715 ( 0.000 0.000 1.361) 1.361 11.749 ( 0.000 0.000 -0.917) 0.917 12.031 ( 0.000 0.000 -0.911) 0.911 12.069 ( 0.000 0.000 -1.105) 1.105 12.396 ( 0.000 0.000 -4.040) 4.040 12.646 ( 0.000 0.000 -2.796) 2.796 12.655 ( 0.000 0.000 1.561) 1.561 12.811 ( 0.000 0.000 5.023) 5.023 12.845 ( 0.000 0.000 2.057) 2.057 13.012 ( 0.000 0.000 3.158) 3.158 13.040 ( 0.000 0.000 4.495) 4.495 13.346 ( 0.000 0.000 5.904) 5.904 13.420 ( 0.000 0.000 3.843) 3.843 13.494 ( 0.000 0.000 -0.914) 0.914 13.655 ( 0.000 0.000 -1.140) 1.140 13.773 ( 0.000 0.000 1.756) 1.756 13.934 ( 0.000 0.000 -2.576) 2.576 14.298 ( 0.000 0.000 0.322) 0.322 14.434 ( 0.000 0.000 3.913) 3.913 14.506 ( 0.000 0.000 1.342) 1.342 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 4.789 0.000 24.846) 25.303 0.636 ( 16.958 0.000 16.601) 23.731 0.809 ( -3.911 0.000 19.212) 19.606 1.343 ( 37.280 0.000 28.391) 46.860 1.486 ( -20.434 0.000 10.731) 23.080 2.208 ( -1.658 0.000 -13.570) 13.671 2.289 ( -10.156 0.000 -8.946) 13.534 2.294 ( -5.359 0.000 -4.403) 6.935 2.546 ( 1.056 0.000 -0.994) 1.450 2.571 ( 0.839 0.000 -0.576) 1.017 2.595 ( 3.810 0.000 -0.342) 3.825 2.967 ( 6.948 0.000 -11.323) 13.285 2.968 ( -14.122 0.000 5.966) 15.330 3.174 ( -3.292 0.000 -9.321) 9.885 3.223 ( 0.323 0.000 2.388) 2.410 3.272 ( -1.275 0.000 -2.090) 2.449 3.379 ( 5.943 0.000 -6.064) 8.491 3.445 ( 0.350 0.000 -13.769) 13.773 3.486 ( 0.176 0.000 -14.122) 14.123 3.594 ( 0.487 0.000 -14.763) 14.771 3.808 ( -0.603 0.000 -7.588) 7.612 3.976 ( -4.201 0.000 -5.196) 6.682 3.992 ( -7.024 0.000 -5.407) 8.864 4.026 ( -10.357 0.000 -1.590) 10.478 4.134 ( -0.467 0.000 -17.609) 17.615 4.270 ( -2.688 0.000 -11.136) 11.456 4.332 ( 5.979 0.000 -18.110) 19.071 4.418 ( 1.161 0.000 2.410) 2.675 4.520 ( 0.638 0.000 -5.148) 5.187 4.561 ( 3.269 0.000 -9.893) 10.419 4.608 ( -7.791 0.000 -1.397) 7.916 4.798 ( 3.317 0.000 -0.797) 3.411 4.864 ( -3.407 0.000 -3.736) 5.056 4.879 ( -0.168 0.000 -0.544) 0.569 5.078 ( 5.388 0.000 -14.190) 15.178 5.255 ( 2.315 0.000 -10.784) 11.029 5.281 ( 1.732 0.000 -9.236) 9.397 5.498 ( 1.270 0.000 -2.985) 3.244 5.556 ( 0.969 0.000 23.503) 23.523 5.581 ( -0.820 0.000 20.467) 20.483 5.593 ( 3.176 0.000 -10.098) 10.586 5.687 ( -1.469 0.000 -0.011) 1.469 5.848 ( 7.646 0.000 15.815) 17.567 5.971 ( -4.633 0.000 5.703) 7.348 6.022 ( -5.206 0.000 3.361) 6.196 6.125 ( -6.188 0.000 14.973) 16.201 6.191 ( 1.780 0.000 0.952) 2.019 6.252 ( -1.466 0.000 -4.225) 4.472 6.384 ( -0.820 0.000 5.076) 5.142 6.463 ( -2.883 0.000 2.916) 4.101 6.501 ( 2.094 0.000 19.503) 19.616 6.576 ( 4.779 0.000 4.211) 6.370 6.660 ( -5.962 0.000 15.843) 16.928 6.723 ( -3.182 0.000 1.117) 3.372 6.779 ( 0.101 0.000 18.239) 18.239 6.854 ( -9.815 0.000 21.829) 23.934 7.934 ( 4.569 0.000 -0.588) 4.607 8.091 ( -2.593 0.000 -1.711) 3.107 8.119 ( 1.538 0.000 1.429) 2.099 8.256 ( -2.369 0.000 -2.480) 3.430 8.543 ( 0.378 0.000 0.789) 0.875 8.564 ( -0.499 0.000 0.745) 0.896 8.688 ( 3.294 0.000 1.017) 3.448 8.719 ( 0.411 0.000 1.886) 1.930 8.734 ( -0.257 0.000 1.864) 1.882 8.850 ( -4.105 0.000 -0.524) 4.138 8.968 ( 2.756 0.000 6.519) 7.077 9.076 ( -1.361 0.000 1.374) 1.934 9.109 ( -0.175 0.000 1.510) 1.520 9.120 ( 0.861 0.000 0.202) 0.884 9.164 ( -1.089 0.000 -0.036) 1.089 9.192 ( -2.366 0.000 5.464) 5.954 9.379 ( -4.490 0.000 2.636) 5.206 9.433 ( -3.459 0.000 0.769) 3.543 9.819 ( 4.992 0.000 -3.475) 6.083 10.109 ( -16.760 0.000 5.992) 17.799 10.789 ( -0.079 0.000 -1.137) 1.139 10.849 ( -3.382 0.000 0.214) 3.388 10.962 ( 1.514 0.000 2.298) 2.752 11.029 ( -1.123 0.000 2.899) 3.109 11.080 ( 0.318 0.000 0.009) 0.318 11.093 ( -0.292 0.000 -0.045) 0.296 11.184 ( 0.611 0.000 -0.415) 0.738 11.207 ( -0.446 0.000 -0.720) 0.847 11.306 ( 1.580 0.000 0.533) 1.668 11.387 ( -2.026 0.000 -0.206) 2.036 11.647 ( 1.554 0.000 0.248) 1.573 11.729 ( -2.095 0.000 -0.585) 2.175 11.759 ( 5.646 0.000 -0.896) 5.717 11.854 ( 5.102 0.000 -4.197) 6.607 12.036 ( 0.575 0.000 -0.999) 1.153 12.063 ( -0.630 0.000 -1.136) 1.299 12.443 ( 3.660 0.000 -5.462) 6.575 12.625 ( -3.597 0.000 -1.575) 3.927 12.778 ( -0.342 0.000 3.370) 3.388 12.813 ( -1.857 0.000 5.062) 5.392 12.907 ( 13.946 0.000 -12.047) 18.428 13.048 ( 3.945 0.000 3.128) 5.035 13.066 ( 1.502 0.000 0.263) 1.525 13.262 ( -6.889 0.000 3.992) 7.962 13.451 ( 3.260 0.000 3.192) 4.563 13.572 ( 6.193 0.000 0.943) 6.264 13.611 ( -4.547 0.000 1.088) 4.675 13.748 ( -2.881 0.000 1.743) 3.367 13.974 ( 5.805 0.000 0.047) 5.805 14.259 ( -6.581 0.000 0.669) 6.615 14.510 ( 7.220 0.000 -5.346) 8.983 14.554 ( 3.177 0.000 -0.877) 3.295 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -6.028 0.000 21.505) 22.334 0.717 ( 6.028 0.000 21.505) 22.334 1.045 ( -26.450 0.000 8.016) 27.638 1.045 ( 26.450 0.000 8.016) 27.638 1.968 ( -29.206 0.000 9.725) 30.782 1.968 ( 29.206 0.000 9.725) 30.782 2.214 ( -2.777 0.000 -7.951) 8.422 2.214 ( 2.777 0.000 -7.951) 8.422 2.568 ( -1.057 0.000 -1.743) 2.039 2.568 ( 1.057 0.000 -1.743) 2.039 2.722 ( -11.211 0.000 0.504) 11.222 2.722 ( 11.211 0.000 0.504) 11.222 3.090 ( -6.167 0.000 -9.555) 11.372 3.090 ( 6.167 0.000 -9.555) 11.372 3.237 ( -1.679 0.000 1.574) 2.301 3.237 ( 1.679 0.000 1.574) 2.301 3.468 ( -1.749 0.000 -13.053) 13.170 3.468 ( 1.749 0.000 -13.053) 13.170 3.515 ( -8.205 0.000 -14.270) 16.460 3.515 ( 8.205 0.000 -14.270) 16.460 3.870 ( -6.678 0.000 -1.779) 6.911 3.870 ( 6.678 0.000 -1.779) 6.911 3.921 ( -0.176 0.000 -5.191) 5.194 3.921 ( 0.176 0.000 -5.191) 5.194 4.184 ( -5.119 0.000 -18.001) 18.715 4.184 ( 5.119 0.000 -18.001) 18.715 4.463 ( -3.767 0.000 -2.090) 4.308 4.463 ( 3.767 0.000 -2.090) 4.308 4.466 ( -8.086 0.000 -7.493) 11.023 4.466 ( 8.086 0.000 -7.493) 11.023 4.719 ( -10.726 0.000 -5.848) 12.216 4.719 ( 10.726 0.000 -5.848) 12.216 4.852 ( -2.654 0.000 -1.416) 3.008 4.852 ( 2.654 0.000 -1.416) 3.008 5.183 ( -5.887 0.000 -17.495) 18.459 5.183 ( 5.887 0.000 -17.495) 18.459 5.427 ( -7.806 0.000 -0.541) 7.825 5.427 ( 7.806 0.000 -0.541) 7.825 5.572 ( -0.646 0.000 22.667) 22.677 5.572 ( 0.646 0.000 22.667) 22.677 5.662 ( -2.553 0.000 -3.831) 4.604 5.662 ( 2.553 0.000 -3.831) 4.604 5.943 ( -2.243 0.000 3.945) 4.538 5.943 ( 2.243 0.000 3.945) 4.538 5.993 ( -8.327 0.000 15.818) 17.876 5.993 ( 8.327 0.000 15.818) 17.876 6.220 ( -1.787 0.000 -0.506) 1.857 6.220 ( 1.787 0.000 -0.506) 1.857 6.402 ( -3.008 0.000 3.743) 4.801 6.402 ( 3.008 0.000 3.743) 4.801 6.558 ( -4.415 0.000 19.305) 19.803 6.558 ( 4.415 0.000 19.305) 19.803 6.658 ( -4.207 0.000 2.614) 4.953 6.658 ( 4.207 0.000 2.614) 4.953 6.785 ( -0.928 0.000 18.756) 18.779 6.785 ( 0.928 0.000 18.756) 18.779 8.024 ( -4.882 0.000 -1.474) 5.099 8.024 ( 4.882 0.000 -1.474) 5.099 8.183 ( -4.905 0.000 -1.033) 5.013 8.183 ( 4.905 0.000 -1.033) 5.013 8.553 ( -0.664 0.000 0.826) 1.060 8.553 ( 0.664 0.000 0.826) 1.060 8.727 ( -0.474 0.000 1.855) 1.914 8.727 ( 0.474 0.000 1.855) 1.914 8.765 ( -5.030 0.000 0.497) 5.055 8.765 ( 5.030 0.000 0.497) 5.055 9.028 ( -3.603 0.000 6.453) 7.391 9.028 ( 3.603 0.000 6.453) 7.391 9.132 ( -2.737 0.000 3.360) 4.333 9.132 ( 2.737 0.000 3.360) 4.333 9.140 ( -1.395 0.000 0.136) 1.402 9.140 ( 1.395 0.000 0.136) 1.402 9.382 ( -2.721 0.000 0.149) 2.726 9.382 ( 2.721 0.000 0.149) 2.726 9.921 ( -7.070 0.000 -0.295) 7.077 9.921 ( 7.070 0.000 -0.295) 7.077 10.802 ( -1.907 0.000 -0.706) 2.033 10.802 ( 1.907 0.000 -0.706) 2.033 11.000 ( -2.154 0.000 2.347) 3.185 11.000 ( 2.154 0.000 2.347) 3.185 11.087 ( -0.423 0.000 -0.023) 0.424 11.087 ( 0.423 0.000 -0.023) 0.424 11.196 ( -0.734 0.000 -0.563) 0.925 11.196 ( 0.734 0.000 -0.563) 0.925 11.344 ( -2.555 0.000 -0.088) 2.557 11.344 ( 2.555 0.000 -0.088) 2.557 11.685 ( -2.590 0.000 -0.041) 2.591 11.685 ( 2.590 0.000 -0.041) 2.591 11.851 ( -3.727 0.000 -1.390) 3.978 11.851 ( 3.727 0.000 -1.390) 3.978 12.049 ( -0.865 0.000 -1.124) 1.418 12.049 ( 0.865 0.000 -1.124) 1.418 12.529 ( -6.048 0.000 -3.926) 7.210 12.529 ( 6.048 0.000 -3.926) 7.210 12.784 ( -1.313 0.000 5.673) 5.823 12.784 ( 1.313 0.000 5.673) 5.823 13.053 ( -3.611 0.000 -6.710) 7.620 13.053 ( 3.611 0.000 -6.710) 7.620 13.142 ( -6.409 0.000 3.250) 7.186 13.142 ( 6.409 0.000 3.250) 7.186 13.524 ( -4.816 0.000 2.506) 5.429 13.524 ( 4.816 0.000 2.506) 5.429 13.675 ( -5.193 0.000 1.606) 5.436 13.675 ( 5.193 0.000 1.606) 5.436 14.115 ( -8.961 0.000 1.202) 9.041 14.115 ( 8.961 0.000 1.202) 9.041 14.581 ( -0.723 0.000 -4.938) 4.990 14.581 ( 0.723 0.000 -4.938) 4.990 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 14.174 15.792) 21.220 0.673 ( 0.000 13.922 21.518) 25.629 1.230 ( 0.000 25.590 6.565) 26.419 1.508 ( 0.000 38.918 27.165) 47.461 1.797 ( 0.000 12.762 16.139) 20.576 2.049 ( 0.000 -14.562 -13.347) 19.754 2.279 ( 0.000 0.195 -16.404) 16.405 2.427 ( 0.000 1.256 -1.690) 2.105 2.485 ( 0.000 -3.827 -2.735) 4.704 2.730 ( 0.000 14.364 -0.422) 14.370 2.733 ( 0.000 4.994 1.076) 5.108 2.938 ( 0.000 2.733 -14.557) 14.812 3.016 ( 0.000 -5.683 -3.191) 6.518 3.172 ( 0.000 -7.716 -8.294) 11.328 3.223 ( 0.000 -1.683 -6.290) 6.511 3.248 ( 0.000 1.484 -3.023) 3.368 3.397 ( 0.000 9.619 -4.029) 10.429 3.417 ( 0.000 1.159 -15.758) 15.800 3.485 ( 0.000 5.490 -6.285) 8.345 3.718 ( 0.000 9.849 -7.978) 12.675 3.912 ( 0.000 6.787 -9.354) 11.557 4.062 ( 0.000 -1.647 -6.645) 6.846 4.127 ( 0.000 6.754 -12.634) 14.326 4.143 ( 0.000 1.479 -1.781) 2.315 4.247 ( 0.000 2.989 -9.323) 9.791 4.253 ( 0.000 0.373 -15.201) 15.206 4.325 ( 0.000 2.350 -0.567) 2.418 4.425 ( 0.000 -0.265 -5.569) 5.576 4.525 ( 0.000 6.623 -10.212) 12.171 4.541 ( 0.000 -0.033 -9.774) 9.774 4.695 ( 0.000 -4.790 4.147) 6.335 4.760 ( 0.000 -4.504 -5.579) 7.171 4.805 ( 0.000 6.358 0.945) 6.428 4.888 ( 0.000 1.043 -1.432) 1.771 5.032 ( 0.000 0.896 -12.667) 12.699 5.187 ( 0.000 -2.493 1.212) 2.772 5.293 ( 0.000 -2.475 -16.274) 16.461 5.319 ( 0.000 -9.583 -2.627) 9.937 5.507 ( 0.000 -5.940 10.426) 12.000 5.549 ( 0.000 -3.106 -11.570) 11.980 5.568 ( 0.000 1.033 21.428) 21.453 5.683 ( 0.000 -6.503 10.971) 12.753 5.761 ( 0.000 3.429 5.432) 6.423 6.024 ( 0.000 -2.784 9.877) 10.262 6.040 ( 0.000 0.531 1.636) 1.720 6.115 ( 0.000 -3.357 3.307) 4.712 6.193 ( 0.000 -6.150 -4.409) 7.567 6.197 ( 0.000 -1.008 13.989) 14.025 6.333 ( 0.000 -5.652 4.067) 6.963 6.424 ( 0.000 -4.925 14.964) 15.754 6.467 ( 0.000 -2.203 1.754) 2.816 6.498 ( 0.000 -6.852 13.599) 15.228 6.658 ( 0.000 -4.356 7.895) 9.017 6.701 ( 0.000 -0.844 11.940) 11.970 6.757 ( 0.000 -1.714 17.149) 17.234 6.827 ( 0.000 -8.236 14.772) 16.913 7.901 ( 0.000 1.147 0.194) 1.163 8.075 ( 0.000 -2.242 0.159) 2.248 8.121 ( 0.000 -0.407 1.660) 1.709 8.216 ( 0.000 -2.069 0.540) 2.139 8.570 ( 0.000 2.547 0.878) 2.694 8.594 ( 0.000 1.884 -0.626) 1.986 8.693 ( 0.000 2.632 2.228) 3.448 8.729 ( 0.000 1.281 2.036) 2.405 8.751 ( 0.000 1.277 1.720) 2.143 8.861 ( 0.000 -2.248 -0.058) 2.248 8.916 ( 0.000 -1.909 5.083) 5.430 8.993 ( 0.000 -5.725 6.897) 8.963 9.037 ( 0.000 0.327 -0.411) 0.526 9.127 ( 0.000 0.830 -0.547) 0.994 9.266 ( 0.000 8.557 -0.705) 8.586 9.268 ( 0.000 -0.554 0.662) 0.863 9.401 ( 0.000 -2.287 -0.585) 2.361 9.577 ( 0.000 3.114 -5.017) 5.905 9.752 ( 0.000 -0.169 -2.008) 2.015 10.036 ( 0.000 -15.368 4.973) 16.153 10.705 ( 0.000 -4.531 -1.922) 4.922 10.764 ( 0.000 -6.208 -1.354) 6.354 10.842 ( 0.000 -5.672 1.851) 5.966 10.934 ( 0.000 -5.348 -0.174) 5.351 11.198 ( 0.000 6.299 0.156) 6.301 11.198 ( 0.000 6.350 0.428) 6.365 11.261 ( 0.000 0.725 0.051) 0.727 11.335 ( 0.000 -2.924 -0.628) 2.991 11.362 ( 0.000 7.625 -0.127) 7.626 11.572 ( 0.000 8.434 -4.813) 9.710 11.626 ( 0.000 -0.170 0.486) 0.515 11.636 ( 0.000 0.221 0.341) 0.406 11.693 ( 0.000 -4.146 -0.293) 4.156 11.708 ( 0.000 -0.449 1.301) 1.377 12.004 ( 0.000 -1.000 1.922) 2.167 12.073 ( 0.000 0.117 -1.371) 1.376 12.482 ( 0.000 4.266 -5.550) 7.000 12.653 ( 0.000 0.473 -2.604) 2.647 12.720 ( 0.000 4.929 0.369) 4.943 12.810 ( 0.000 0.319 4.947) 4.957 12.843 ( 0.000 2.107 -0.614) 2.195 13.007 ( 0.000 -2.491 4.301) 4.971 13.108 ( 0.000 3.964 5.930) 7.133 13.373 ( 0.000 -7.247 -0.152) 7.249 13.374 ( 0.000 -1.384 4.369) 4.583 13.522 ( 0.000 5.582 2.433) 6.089 13.726 ( 0.000 0.274 0.736) 0.786 13.824 ( 0.000 3.147 3.251) 4.524 13.918 ( 0.000 1.696 -4.906) 5.191 14.345 ( 0.000 -7.022 4.056) 8.109 14.353 ( 0.000 2.593 -6.468) 6.968 14.452 ( 0.000 -4.631 0.320) 4.642 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 14.351 15.339 4.912) 21.572 0.986 ( 19.777 13.524 13.072) 27.292 1.176 ( -6.634 22.691 5.503) 24.273 1.587 ( -18.215 10.639 8.003) 22.561 1.657 ( 16.876 29.740 26.765) 43.424 2.107 ( 1.956 -5.399 -3.485) 6.717 2.288 ( 0.470 2.064 -14.583) 14.735 2.365 ( -5.651 3.638 -1.117) 6.813 2.513 ( 3.852 -4.565 -1.805) 6.240 2.686 ( -1.164 6.729 0.253) 6.834 2.794 ( 2.794 12.377 -1.829) 12.819 2.911 ( -5.057 -3.454 -7.582) 9.746 3.005 ( -0.644 2.088 -7.528) 7.839 3.119 ( -5.887 -7.043 -5.782) 10.849 3.161 ( -1.104 -4.332 -2.064) 4.924 3.296 ( -1.263 5.460 -10.404) 11.818 3.376 ( 0.727 2.274 -3.667) 4.376 3.424 ( -0.138 2.934 -14.124) 14.427 3.535 ( 5.811 6.022 -7.584) 11.294 3.730 ( 0.039 8.659 -10.547) 13.646 3.903 ( -2.532 5.038 -6.932) 8.936 3.938 ( -9.063 -1.272 -3.305) 9.730 4.035 ( -5.735 5.414 -3.481) 8.620 4.103 ( -1.080 6.895 -11.712) 13.634 4.216 ( -3.798 5.385 -9.451) 11.522 4.297 ( -1.649 2.360 -4.367) 5.230 4.382 ( 8.468 1.735 -16.578) 18.696 4.449 ( 4.622 -4.038 -5.482) 8.229 4.471 ( -1.570 1.578 -7.971) 8.276 4.559 ( -2.267 4.337 -7.928) 9.317 4.646 ( -5.125 2.146 1.119) 5.667 4.731 ( -3.628 -8.225 -3.456) 9.631 4.847 ( 2.758 4.257 -2.666) 5.730 4.920 ( 0.812 1.010 -2.916) 3.191 5.085 ( 5.838 0.311 -11.254) 12.682 5.229 ( 6.233 -3.479 1.525) 7.299 5.258 ( -2.346 -0.863 -15.954) 16.148 5.395 ( 3.032 -8.767 0.921) 9.322 5.499 ( 0.973 -6.160 7.161) 9.495 5.547 ( -0.207 -1.994 2.317) 3.064 5.593 ( 2.136 -0.045 9.131) 9.378 5.682 ( -2.168 -2.177 9.256) 9.753 5.783 ( 4.236 -3.338 8.499) 10.065 5.945 ( -5.241 -2.192 6.704) 8.787 6.035 ( -1.869 1.187 4.375) 4.903 6.114 ( -4.838 -1.966 10.157) 11.421 6.143 ( -0.157 -3.811 4.479) 5.883 6.186 ( -1.026 -5.218 -1.236) 5.460 6.341 ( 0.428 -4.732 5.963) 7.624 6.416 ( -2.994 -4.796 7.605) 9.476 6.452 ( 0.923 -3.704 11.324) 11.950 6.516 ( 0.707 -6.827 13.249) 14.921 6.627 ( -1.583 -0.456 10.492) 10.621 6.678 ( -2.084 -1.498 9.484) 9.825 6.765 ( 0.745 -1.404 16.195) 16.272 6.803 ( -1.629 -3.289 14.015) 14.488 7.946 ( 4.563 1.072 -0.388) 4.703 8.081 ( 0.106 -0.918 -1.032) 1.385 8.112 ( -0.104 -0.440 1.249) 1.328 8.208 ( -1.758 -2.725 -0.382) 3.265 8.576 ( 0.645 2.530 0.571) 2.673 8.593 ( -0.152 2.335 -0.357) 2.367 8.711 ( 1.876 1.646 1.707) 3.024 8.734 ( 0.623 1.356 2.209) 2.666 8.748 ( -0.252 1.262 1.754) 2.175 8.834 ( -2.876 -1.471 0.565) 3.279 8.937 ( 2.023 -2.323 5.172) 6.019 8.989 ( -0.467 -4.761 5.844) 7.552 9.040 ( 0.515 -0.181 0.308) 0.627 9.108 ( -2.163 0.830 0.448) 2.360 9.264 ( 1.212 4.186 -0.207) 4.362 9.311 ( 3.285 4.371 -0.200) 5.472 9.377 ( -2.656 -1.531 -0.464) 3.101 9.488 ( -6.756 5.812 -0.765) 8.945 9.799 ( 3.776 -1.611 -3.081) 5.133 9.965 ( -5.851 -8.721 2.555) 10.808 10.705 ( 0.371 -4.758 -1.524) 5.010 10.761 ( -1.161 -5.046 -1.609) 5.422 10.849 ( 1.369 -6.337 1.722) 6.708 10.917 ( -1.579 -5.726 0.640) 5.974 11.189 ( -0.531 6.151 0.183) 6.177 11.192 ( -0.628 5.899 0.205) 5.936 11.273 ( 1.311 0.502 0.086) 1.406 11.332 ( -0.684 -3.010 -0.401) 3.112 11.362 ( 0.177 7.943 -0.342) 7.953 11.418 ( -5.587 10.425 0.772) 11.853 11.647 ( 1.285 -0.061 0.153) 1.295 11.687 ( -0.350 -3.295 -0.213) 3.320 11.748 ( 5.853 -0.944 -1.156) 6.041 11.829 ( 6.698 -1.626 -2.608) 7.369 11.986 ( -1.425 -2.380 1.456) 3.132 12.048 ( -2.579 -1.044 -1.054) 2.975 12.516 ( 3.338 4.353 -5.067) 7.467 12.682 ( -2.791 3.972 -1.043) 4.965 12.769 ( 7.133 -4.548 -2.132) 8.724 12.800 ( 0.700 2.479 3.430) 4.290 12.846 ( 0.030 2.642 0.575) 2.704 12.978 ( -2.041 -4.293 2.336) 5.297 13.150 ( 3.229 2.409 4.029) 5.698 13.289 ( -5.537 -1.816 0.321) 5.836 13.429 ( 3.711 -2.492 5.321) 6.950 13.530 ( -0.112 1.061 3.240) 3.411 13.735 ( 0.389 3.012 0.705) 3.118 13.796 ( -2.808 4.013 2.590) 5.540 13.948 ( 4.762 -0.373 -1.680) 5.063 14.225 ( -7.978 -3.308 1.718) 8.806 14.454 ( 5.008 -3.908 -5.682) 8.523 14.483 ( 2.356 -5.741 -0.899) 6.271 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -17.634 14.646 0.415) 22.927 0.958 ( 17.634 14.646 0.415) 22.927 1.280 ( -15.270 18.457 8.927) 25.564 1.280 ( 15.270 18.457 8.927) 25.564 2.000 ( -16.083 8.900 14.473) 23.396 2.000 ( 16.083 8.900 14.473) 23.396 2.294 ( -1.199 2.813 -8.123) 8.680 2.294 ( 1.199 2.813 -8.123) 8.680 2.625 ( -7.289 -1.661 0.105) 7.477 2.625 ( 7.289 -1.661 0.105) 7.477 2.825 ( -1.745 13.164 -7.144) 15.079 2.825 ( 1.745 13.164 -7.144) 15.079 3.014 ( -3.993 -8.765 -1.643) 9.770 3.014 ( 3.993 -8.765 -1.643) 9.770 3.216 ( -5.501 1.044 -7.529) 9.383 3.216 ( 5.501 1.044 -7.529) 9.383 3.409 ( -1.616 1.451 -9.569) 9.812 3.409 ( 1.616 1.451 -9.569) 9.812 3.663 ( -7.270 7.437 -12.909) 16.577 3.663 ( 7.270 7.437 -12.909) 16.577 3.860 ( -1.751 1.037 -5.287) 5.665 3.860 ( 1.751 1.037 -5.287) 5.665 4.033 ( -4.759 9.077 -3.468) 10.820 4.033 ( 4.759 9.077 -3.468) 10.820 4.239 ( -4.535 4.198 -11.308) 12.886 4.239 ( 4.535 4.198 -11.308) 12.886 4.464 ( -1.832 0.339 -10.162) 10.331 4.464 ( 1.832 0.339 -10.162) 10.331 4.535 ( -1.791 3.376 -3.587) 5.241 4.535 ( 1.791 3.376 -3.587) 5.241 4.616 ( -7.098 -5.540 -4.713) 10.163 4.616 ( 7.098 -5.540 -4.713) 10.163 4.896 ( -2.650 2.669 -4.046) 5.524 4.896 ( 2.650 2.669 -4.046) 5.524 5.189 ( -5.294 0.451 -14.009) 14.983 5.189 ( 5.294 0.451 -14.009) 14.983 5.361 ( -6.121 -6.082 4.228) 9.609 5.361 ( 6.121 -6.082 4.228) 9.609 5.536 ( -1.505 -4.313 3.770) 5.923 5.536 ( 1.505 -4.313 3.770) 5.923 5.635 ( -2.606 -1.265 9.258) 9.700 5.635 ( 2.606 -1.265 9.258) 9.700 5.868 ( -4.206 -4.975 6.697) 9.343 5.868 ( 4.206 -4.975 6.697) 9.343 6.026 ( -2.565 1.068 9.356) 9.760 6.026 ( 2.565 1.068 9.356) 9.760 6.163 ( -1.477 -4.693 1.077) 5.037 6.163 ( 1.477 -4.693 1.077) 5.037 6.359 ( -2.192 -4.206 6.058) 7.693 6.359 ( 2.192 -4.206 6.058) 7.693 6.491 ( -2.624 -4.915 13.955) 15.027 6.491 ( 2.624 -4.915 13.955) 15.027 6.640 ( -2.106 -0.720 8.857) 9.132 6.640 ( 2.106 -0.720 8.857) 9.132 6.780 ( -1.014 -1.162 14.806) 14.886 6.780 ( 1.014 -1.162 14.806) 14.886 8.034 ( -4.618 0.907 -1.164) 4.848 8.034 ( 4.618 0.907 -1.164) 4.848 8.154 ( -3.676 -2.048 -0.221) 4.214 8.154 ( 3.676 -2.048 -0.221) 4.214 8.587 ( -0.519 2.689 0.123) 2.741 8.587 ( 0.519 2.689 0.123) 2.741 8.736 ( -0.693 0.673 1.457) 1.748 8.736 ( 0.693 0.673 1.457) 1.748 8.774 ( -3.359 0.717 1.703) 3.834 8.774 ( 3.359 0.717 1.703) 3.834 8.971 ( -1.607 -3.656 5.206) 6.561 8.971 ( 1.607 -3.656 5.206) 6.561 9.064 ( -2.278 0.385 1.056) 2.541 9.064 ( 2.278 0.385 1.056) 2.541 9.307 ( -3.401 3.800 -0.208) 5.104 9.307 ( 3.401 3.800 -0.208) 5.104 9.390 ( -4.490 3.650 -0.023) 5.787 9.390 ( 4.490 3.650 -0.023) 5.787 9.872 ( -4.655 -3.805 -1.224) 6.136 9.872 ( 4.655 -3.805 -1.224) 6.136 10.727 ( -2.032 -4.530 -1.351) 5.145 10.727 ( 2.032 -4.530 -1.351) 5.145 10.884 ( -2.118 -6.441 1.257) 6.896 10.884 ( 2.118 -6.441 1.257) 6.896 11.185 ( -0.127 5.760 0.123) 5.763 11.185 ( 0.127 5.760 0.123) 5.763 11.304 ( -2.066 -1.037 0.094) 2.314 11.304 ( 2.066 -1.037 0.094) 2.314 11.371 ( -0.972 8.988 -0.026) 9.040 11.371 ( 0.972 8.988 -0.026) 9.040 11.672 ( -1.295 -1.207 -0.142) 1.776 11.672 ( 1.295 -1.207 -0.142) 1.776 11.846 ( -4.000 -0.276 -1.210) 4.189 11.846 ( 4.000 -0.276 -1.210) 4.189 11.996 ( -2.716 -3.524 -0.282) 4.458 11.996 ( 2.716 -3.524 -0.282) 4.458 12.596 ( -5.525 4.341 -3.422) 7.816 12.596 ( 5.525 4.341 -3.422) 7.816 12.811 ( -1.468 3.119 4.947) 6.030 12.811 ( 1.468 3.119 4.947) 6.030 12.921 ( -5.263 -6.646 -3.235) 9.073 12.921 ( 5.263 -6.646 -3.235) 9.073 13.206 ( -3.609 1.010 1.815) 4.164 13.206 ( 3.609 1.010 1.815) 4.164 13.498 ( -3.450 -1.426 5.087) 6.310 13.498 ( 3.450 -1.426 5.087) 6.310 13.750 ( -1.880 4.439 1.412) 5.024 13.750 ( 1.880 4.439 1.412) 5.024 14.075 ( -8.586 -2.668 1.117) 9.060 14.075 ( 8.586 -2.668 1.117) 9.060 14.503 ( -0.560 -6.042 -4.106) 7.327 14.503 ( 0.560 -6.042 -4.106) 7.327 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 24.354 -4.014) 24.682 1.107 ( 0.000 24.050 14.410) 28.037 1.677 ( 0.000 15.235 -4.307) 15.833 1.869 ( 0.000 -3.999 -13.132) 13.727 2.026 ( 0.000 -8.879 -5.142) 10.261 2.177 ( 0.000 -3.458 9.960) 10.544 2.214 ( 0.000 4.150 7.759) 8.800 2.405 ( 0.000 19.845 13.036) 23.743 2.516 ( 0.000 12.541 -2.802) 12.850 2.750 ( 0.000 -12.921 -0.311) 12.925 2.783 ( 0.000 0.362 -6.838) 6.847 2.906 ( 0.000 -1.850 -10.847) 11.004 3.095 ( 0.000 9.722 -11.155) 14.796 3.132 ( 0.000 -3.282 -12.460) 12.886 3.271 ( 0.000 6.464 -9.139) 11.194 3.360 ( 0.000 10.545 -0.124) 10.546 3.547 ( 0.000 3.197 -8.766) 9.331 3.551 ( 0.000 10.006 -11.094) 14.940 3.718 ( 0.000 14.873 -6.225) 16.123 3.899 ( 0.000 4.410 -4.810) 6.526 4.048 ( 0.000 -4.403 -12.394) 13.153 4.106 ( 0.000 5.768 -3.259) 6.626 4.118 ( 0.000 -0.751 -2.487) 2.598 4.123 ( 0.000 0.861 -2.721) 2.854 4.276 ( 0.000 1.983 -6.849) 7.130 4.316 ( 0.000 4.026 -21.378) 21.753 4.407 ( 0.000 4.415 8.175) 9.291 4.484 ( 0.000 -13.331 -2.510) 13.566 4.526 ( 0.000 4.592 -13.587) 14.342 4.568 ( 0.000 -0.609 -16.410) 16.421 4.680 ( 0.000 8.148 -8.674) 11.901 4.711 ( 0.000 2.246 -0.219) 2.257 4.958 ( 0.000 5.187 1.776) 5.482 4.967 ( 0.000 4.636 1.319) 4.820 5.046 ( 0.000 -2.857 -0.770) 2.959 5.108 ( 0.000 -2.553 -0.039) 2.554 5.112 ( 0.000 -3.416 -7.666) 8.393 5.221 ( 0.000 -5.099 -7.551) 9.111 5.373 ( 0.000 -5.563 1.988) 5.908 5.411 ( 0.000 -8.379 1.941) 8.601 5.558 ( 0.000 -4.260 -3.227) 5.344 5.585 ( 0.000 -0.518 17.301) 17.309 5.826 ( 0.000 1.884 0.770) 2.035 5.948 ( 0.000 -4.702 8.701) 9.890 6.028 ( 0.000 -7.510 0.007) 7.510 6.050 ( 0.000 -3.953 8.142) 9.051 6.062 ( 0.000 1.741 3.092) 3.549 6.114 ( 0.000 -3.960 6.201) 7.358 6.202 ( 0.000 -5.123 7.878) 9.397 6.280 ( 0.000 -6.047 17.200) 18.232 6.375 ( 0.000 -2.959 10.452) 10.862 6.406 ( 0.000 -3.062 1.541) 3.428 6.634 ( 0.000 -0.082 10.795) 10.795 6.677 ( 0.000 -0.944 13.159) 13.193 6.710 ( 0.000 -2.578 14.547) 14.774 6.720 ( 0.000 -2.961 10.063) 10.489 7.937 ( 0.000 2.077 0.220) 2.089 8.031 ( 0.000 -2.027 -0.108) 2.030 8.117 ( 0.000 0.237 1.625) 1.642 8.173 ( 0.000 -1.956 1.090) 2.240 8.633 ( 0.000 2.841 1.002) 3.013 8.641 ( 0.000 2.212 -1.430) 2.634 8.744 ( 0.000 1.729 1.614) 2.365 8.769 ( 0.000 2.327 3.096) 3.873 8.779 ( 0.000 0.667 0.694) 0.963 8.824 ( 0.000 -0.285 1.111) 1.147 8.872 ( 0.000 -2.235 4.006) 4.587 8.911 ( 0.000 -2.782 4.347) 5.161 9.077 ( 0.000 2.897 -0.863) 3.023 9.159 ( 0.000 1.964 -1.014) 2.211 9.227 ( 0.000 -2.331 0.465) 2.377 9.329 ( 0.000 -3.795 -0.557) 3.836 9.454 ( 0.000 8.282 -1.815) 8.478 9.648 ( 0.000 3.076 -4.525) 5.471 9.743 ( 0.000 -0.783 -2.813) 2.920 9.808 ( 0.000 -8.144 -1.246) 8.239 10.632 ( 0.000 -2.079 -1.272) 2.437 10.656 ( 0.000 -3.666 -0.575) 3.711 10.745 ( 0.000 -2.892 0.692) 2.974 10.814 ( 0.000 -5.275 -0.824) 5.339 11.272 ( 0.000 0.890 -0.424) 0.986 11.284 ( 0.000 0.412 -0.770) 0.873 11.296 ( 0.000 2.224 -0.430) 2.265 11.306 ( 0.000 1.316 -0.208) 1.333 11.509 ( 0.000 4.820 -0.214) 4.824 11.602 ( 0.000 -2.493 0.008) 2.493 11.635 ( 0.000 1.000 0.440) 1.092 11.646 ( 0.000 1.023 0.897) 1.360 11.661 ( 0.000 0.281 -1.289) 1.319 11.705 ( 0.000 -0.054 0.927) 0.929 11.997 ( 0.000 0.447 0.790) 0.908 12.062 ( 0.000 -1.241 -1.542) 1.980 12.567 ( 0.000 3.568 -2.306) 4.248 12.655 ( 0.000 -0.514 -2.164) 2.224 12.794 ( 0.000 1.449 0.183) 1.461 12.827 ( 0.000 0.301 3.430) 3.443 12.950 ( 0.000 7.390 -1.358) 7.514 12.983 ( 0.000 1.978 5.394) 5.745 13.172 ( 0.000 0.510 4.687) 4.715 13.232 ( 0.000 -5.730 -0.010) 5.730 13.344 ( 0.000 0.071 6.877) 6.877 13.585 ( 0.000 2.389 8.165) 8.507 13.607 ( 0.000 -8.926 4.029) 9.793 13.826 ( 0.000 -3.760 6.014) 7.093 14.044 ( 0.000 6.910 -6.108) 9.223 14.232 ( 0.000 -0.835 2.333) 2.478 14.326 ( 0.000 -6.317 -0.616) 6.347 14.364 ( 0.000 -1.792 -6.589) 6.828 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 9.299 24.433 -6.476) 26.932 1.300 ( 16.496 16.865 10.931) 26.000 1.575 ( -10.955 15.985 -7.986) 20.959 1.794 ( -8.065 4.251 -4.581) 10.203 2.071 ( 4.035 -8.487 -3.191) 9.925 2.174 ( -0.848 -8.371 -0.242) 8.418 2.244 ( 4.314 -0.879 10.290) 11.193 2.419 ( 1.324 15.901 10.966) 19.361 2.556 ( 3.169 14.010 1.197) 14.413 2.663 ( -7.520 -6.845 -7.737) 12.777 2.812 ( 4.135 3.381 2.066) 5.727 2.943 ( 1.878 -1.060 -7.297) 7.609 3.068 ( -0.624 -0.277 -9.874) 9.897 3.159 ( -5.922 7.212 0.282) 9.336 3.165 ( -0.175 5.538 -17.193) 18.064 3.425 ( -9.422 5.117 -4.990) 11.826 3.461 ( 4.821 3.107 -13.464) 14.634 3.570 ( 0.487 11.939 -10.134) 15.668 3.741 ( 2.645 11.990 -3.474) 12.760 3.888 ( -1.391 4.291 -6.994) 8.322 3.944 ( -8.853 0.877 -4.471) 9.956 4.032 ( -4.851 1.773 -12.939) 13.932 4.162 ( 2.191 5.422 -0.727) 5.893 4.193 ( 6.534 -3.705 -8.114) 11.057 4.255 ( 2.570 2.899 -6.616) 7.667 4.361 ( -0.659 -2.384 -7.699) 8.087 4.365 ( -4.077 8.127 2.421) 9.409 4.465 ( 1.698 -2.745 -12.663) 13.068 4.536 ( -1.450 2.061 -11.970) 12.233 4.568 ( 0.269 4.392 -12.839) 13.572 4.680 ( -1.183 3.139 -5.294) 6.267 4.711 ( -1.160 2.169 -1.419) 2.840 4.948 ( 0.425 4.733 -1.303) 4.928 4.988 ( -2.797 4.337 -2.668) 5.810 5.033 ( 5.796 -3.396 2.514) 7.173 5.160 ( 3.812 -4.914 -4.740) 7.820 5.178 ( 2.879 -6.494 -2.169) 7.427 5.222 ( 0.863 -3.754 -4.103) 5.628 5.354 ( -0.120 -6.404 1.118) 6.502 5.428 ( -0.008 -8.052 -2.168) 8.339 5.562 ( 1.434 -3.187 3.786) 5.153 5.616 ( 2.623 -1.600 13.698) 14.038 5.773 ( -4.631 0.461 0.805) 4.723 5.872 ( -6.790 -4.532 7.304) 10.954 6.021 ( -0.840 -5.623 1.310) 5.834 6.040 ( -2.026 -2.023 7.511) 8.038 6.051 ( -0.102 -3.634 5.793) 6.839 6.089 ( -2.218 -2.191 3.895) 4.989 6.222 ( 2.704 -3.792 10.802) 11.764 6.305 ( 0.773 -3.974 12.982) 13.599 6.359 ( -0.714 -3.741 8.502) 9.316 6.406 ( -0.510 -4.055 5.725) 7.034 6.628 ( -0.172 0.455 11.167) 11.178 6.662 ( -1.134 0.011 11.920) 11.973 6.719 ( 0.871 -2.764 13.831) 14.132 6.733 ( 0.627 -2.989 11.507) 11.906 7.978 ( 4.196 1.769 -0.183) 4.558 8.054 ( 2.346 -1.550 -0.405) 2.842 8.109 ( -1.038 0.303 1.063) 1.516 8.160 ( -1.792 -1.844 0.509) 2.621 8.637 ( 0.721 2.837 0.585) 2.985 8.650 ( 0.545 2.571 -0.960) 2.798 8.740 ( -0.326 0.848 1.657) 1.889 8.762 ( -1.130 0.349 0.923) 1.501 8.782 ( 0.638 1.686 2.558) 3.129 8.815 ( -0.815 0.748 1.681) 2.012 8.884 ( 1.237 -2.551 3.913) 4.832 8.915 ( 0.035 -2.763 3.771) 4.675 9.081 ( 0.714 3.265 -0.451) 3.372 9.146 ( -1.690 2.717 -0.343) 3.218 9.241 ( 1.677 -2.858 -0.092) 3.315 9.315 ( -1.487 -3.735 -0.525) 4.055 9.477 ( 2.544 8.110 -1.854) 8.700 9.610 ( -3.668 4.915 -3.219) 6.926 9.758 ( 1.287 -2.224 -3.131) 4.050 9.800 ( -0.866 -6.923 -1.768) 7.197 10.633 ( 0.695 -1.757 -1.012) 2.143 10.675 ( 0.854 -2.824 -1.101) 3.149 10.734 ( -0.421 -3.820 0.971) 3.964 10.796 ( -1.852 -5.234 -0.385) 5.566 11.268 ( -0.406 1.100 -0.382) 1.233 11.275 ( -0.878 0.895 -0.491) 1.347 11.292 ( -0.128 1.674 -0.346) 1.714 11.301 ( -0.488 0.926 -0.270) 1.081 11.515 ( 0.733 4.945 -0.300) 5.008 11.571 ( -3.015 3.911 0.370) 4.952 11.617 ( 1.210 -2.294 0.062) 2.594 11.645 ( 0.211 -0.606 0.089) 0.648 11.736 ( 6.328 0.469 -0.260) 6.350 11.801 ( 6.785 -1.193 -0.230) 6.893 11.961 ( -3.775 0.067 0.684) 3.837 12.023 ( -4.200 -1.458 -1.063) 4.571 12.597 ( 3.204 3.285 -2.209) 5.093 12.701 ( 4.901 -1.991 -1.647) 5.540 12.753 ( -3.786 2.194 0.454) 4.400 12.847 ( 0.734 -1.795 1.141) 2.250 12.938 ( -1.615 5.789 0.712) 6.052 12.957 ( -1.980 5.179 3.196) 6.400 13.170 ( -0.003 -1.270 3.610) 3.827 13.206 ( -2.042 -4.742 0.435) 5.182 13.396 ( 4.929 0.525 7.766) 9.213 13.553 ( -2.526 1.543 7.902) 8.438 13.664 ( 4.556 -7.511 5.100) 10.158 13.802 ( -2.611 -4.333 5.907) 7.777 14.047 ( 0.799 7.001 -4.845) 8.552 14.178 ( -4.997 1.369 1.283) 5.338 14.342 ( 1.379 -6.840 -1.996) 7.258 14.371 ( 0.284 -4.013 -5.200) 6.575 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -14.894 19.508 -9.229) 26.221 1.329 ( 14.894 19.508 -9.229) 26.221 1.592 ( -14.600 11.149 4.290) 18.865 1.592 ( 14.600 11.149 4.290) 18.865 2.138 ( -3.223 -6.843 -1.120) 7.646 2.138 ( 3.223 -6.843 -1.120) 7.646 2.366 ( -7.843 -6.984 4.593) 11.462 2.366 ( 7.843 -6.984 4.593) 11.462 2.592 ( -1.239 14.982 1.690) 15.128 2.592 ( 1.239 14.982 1.690) 15.128 2.915 ( -6.278 3.118 2.499) 7.442 2.915 ( 6.278 3.118 2.499) 7.442 3.065 ( -3.690 2.899 -12.367) 13.228 3.065 ( 3.690 2.899 -12.367) 13.228 3.242 ( -8.355 2.022 -5.760) 10.347 3.242 ( 8.355 2.022 -5.760) 10.347 3.539 ( -4.096 10.315 -13.008) 17.099 3.539 ( 4.096 10.315 -13.008) 17.099 3.813 ( -5.040 5.318 -5.021) 8.882 3.813 ( 5.040 5.318 -5.021) 8.882 3.932 ( -4.514 2.359 -11.011) 12.132 3.932 ( 4.514 2.359 -11.011) 12.132 4.215 ( -3.707 4.864 -3.948) 7.279 4.215 ( 3.707 4.864 -3.948) 7.279 4.307 ( -3.655 -2.378 -5.211) 6.795 4.307 ( 3.655 -2.378 -5.211) 6.795 4.434 ( -9.059 5.251 -1.273) 10.548 4.434 ( 9.059 5.251 -1.273) 10.548 4.530 ( -3.921 2.717 -16.457) 17.135 4.530 ( 3.921 2.717 -16.457) 17.135 4.682 ( -1.864 3.129 -4.601) 5.868 4.682 ( 1.864 3.129 -4.601) 5.868 4.959 ( -0.776 3.537 -3.449) 5.001 4.959 ( 0.776 3.537 -3.449) 5.001 5.135 ( -4.572 -6.816 1.335) 8.315 5.135 ( 4.572 -6.816 1.335) 8.315 5.230 ( -1.575 -3.973 -3.422) 5.475 5.230 ( 1.575 -3.973 -3.422) 5.475 5.392 ( -3.417 -8.040 -2.399) 9.060 5.392 ( 3.417 -8.040 -2.399) 9.060 5.615 ( -3.545 -0.776 7.590) 8.413 5.615 ( 3.545 -0.776 7.590) 8.413 5.759 ( -4.610 -4.567 6.139) 8.933 5.759 ( 4.610 -4.567 6.139) 8.933 6.013 ( -0.526 -2.418 3.458) 4.252 6.013 ( 0.526 -2.418 3.458) 4.252 6.059 ( -1.127 -3.649 6.113) 7.208 6.059 ( 1.127 -3.649 6.113) 7.208 6.275 ( -2.955 -1.902 10.312) 10.894 6.275 ( 2.955 -1.902 10.312) 10.894 6.381 ( -2.071 -5.121 8.502) 10.139 6.381 ( 2.071 -5.121 8.502) 10.139 6.640 ( -1.280 0.729 11.495) 11.589 6.640 ( 1.280 0.729 11.495) 11.589 6.733 ( -0.539 -2.887 12.708) 13.043 6.733 ( 0.539 -2.887 12.708) 13.043 8.058 ( -3.779 1.170 -0.555) 3.995 8.058 ( 3.779 1.170 -0.555) 3.995 8.113 ( -2.940 -1.620 0.202) 3.363 8.113 ( 2.940 -1.620 0.202) 3.363 8.651 ( -0.494 3.055 -0.086) 3.096 8.651 ( 0.494 3.055 -0.086) 3.096 8.741 ( -0.721 -0.529 1.076) 1.399 8.741 ( 0.721 -0.529 1.076) 1.399 8.798 ( -1.054 1.745 2.313) 3.083 8.798 ( 1.054 1.745 2.313) 3.083 8.906 ( -0.991 -2.760 3.554) 4.607 8.906 ( 0.991 -2.760 3.554) 4.607 9.108 ( -2.193 3.386 0.076) 4.035 9.108 ( 2.193 3.386 0.076) 4.035 9.280 ( -2.406 -3.347 -0.478) 4.150 9.280 ( 2.406 -3.347 -0.478) 4.150 9.538 ( -4.085 7.083 -2.109) 8.444 9.538 ( 4.085 7.083 -2.109) 8.444 9.781 ( -1.235 -4.521 -2.669) 5.393 9.781 ( 1.235 -4.521 -2.669) 5.393 10.658 ( -1.905 -1.460 -0.947) 2.580 10.658 ( 1.905 -1.460 -0.947) 2.580 10.756 ( -2.333 -5.247 0.389) 5.756 10.756 ( 2.333 -5.247 0.389) 5.756 11.264 ( -0.173 1.257 -0.301) 1.304 11.264 ( 0.173 1.257 -0.301) 1.304 11.294 ( -0.279 0.910 -0.310) 1.001 11.294 ( 0.279 0.910 -0.310) 1.001 11.534 ( -1.426 5.011 0.011) 5.210 11.534 ( 1.426 5.011 0.011) 5.210 11.639 ( -0.976 -1.624 -0.261) 1.913 11.639 ( 0.976 -1.624 -0.261) 1.913 11.851 ( -5.244 0.956 -0.405) 5.346 11.851 ( 5.244 0.956 -0.405) 5.346 11.933 ( -4.876 -2.311 0.075) 5.396 11.933 ( 4.876 -2.311 0.075) 5.396 12.672 ( -4.959 2.881 -1.084) 5.837 12.672 ( 4.959 2.881 -1.084) 5.837 12.802 ( -5.491 -4.024 -0.630) 6.837 12.802 ( 5.491 -4.024 -0.630) 6.837 12.931 ( -1.152 6.685 1.856) 7.033 12.931 ( 1.152 6.685 1.856) 7.033 13.178 ( -1.016 -3.246 1.733) 3.817 13.178 ( 1.016 -3.246 1.733) 3.817 13.488 ( -4.891 1.330 8.460) 9.862 13.488 ( 4.891 1.330 8.460) 9.862 13.742 ( -4.038 -5.933 5.489) 9.035 13.742 ( 4.038 -5.933 5.489) 9.035 14.090 ( -4.217 4.875 -1.532) 6.626 14.090 ( 4.217 4.875 -1.532) 6.626 14.365 ( -0.948 -6.457 -3.650) 7.478 14.365 ( 0.948 -6.457 -3.650) 7.478 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 -7.280 -6.245) 9.592 1.509 ( 0.000 7.280 -6.245) 9.592 1.721 ( 0.000 -4.180 2.663) 4.956 1.721 ( 0.000 4.180 2.663) 4.956 1.911 ( 0.000 -8.060 -4.206) 9.091 1.911 ( 0.000 8.060 -4.206) 9.091 2.381 ( 0.000 -11.988 5.871) 13.349 2.381 ( 0.000 11.988 5.871) 13.349 2.790 ( 0.000 -2.274 -11.339) 11.565 2.790 ( 0.000 2.274 -11.339) 11.565 2.924 ( 0.000 -13.324 -0.784) 13.347 2.924 ( 0.000 13.324 -0.784) 13.347 3.036 ( 0.000 -15.827 -0.823) 15.849 3.036 ( 0.000 15.827 -0.823) 15.849 3.420 ( 0.000 -5.306 -10.986) 12.200 3.420 ( 0.000 5.306 -10.986) 12.200 3.682 ( 0.000 -4.488 -5.630) 7.200 3.682 ( 0.000 4.488 -5.630) 7.200 3.925 ( 0.000 -2.868 -10.874) 11.246 3.925 ( 0.000 2.868 -10.874) 11.246 4.052 ( 0.000 -5.819 -4.603) 7.419 4.052 ( 0.000 5.819 -4.603) 7.419 4.104 ( 0.000 -7.799 -1.012) 7.865 4.104 ( 0.000 7.799 -1.012) 7.865 4.344 ( 0.000 -1.502 -9.606) 9.723 4.344 ( 0.000 1.502 -9.606) 9.723 4.406 ( 0.000 -7.827 -1.748) 8.020 4.406 ( 0.000 7.827 -1.748) 8.020 4.531 ( 0.000 -0.417 -17.807) 17.811 4.531 ( 0.000 0.417 -17.807) 17.811 4.809 ( 0.000 -1.720 -5.747) 5.999 4.809 ( 0.000 1.720 -5.747) 5.999 4.967 ( 0.000 -2.732 4.376) 5.159 4.967 ( 0.000 2.732 4.376) 5.159 5.073 ( 0.000 -4.376 -0.141) 4.379 5.073 ( 0.000 4.376 -0.141) 4.379 5.121 ( 0.000 -1.217 -0.944) 1.540 5.121 ( 0.000 1.217 -0.944) 1.540 5.316 ( 0.000 -0.935 -3.084) 3.222 5.316 ( 0.000 0.935 -3.084) 3.222 5.529 ( 0.000 -2.655 4.944) 5.612 5.529 ( 0.000 2.655 4.944) 5.612 5.855 ( 0.000 -2.517 2.328) 3.429 5.855 ( 0.000 2.517 2.328) 3.429 5.962 ( 0.000 -1.723 7.846) 8.033 5.962 ( 0.000 1.723 7.846) 8.033 6.100 ( 0.000 -0.100 -1.759) 1.762 6.100 ( 0.000 0.100 -1.759) 1.762 6.166 ( 0.000 -3.370 16.125) 16.473 6.166 ( 0.000 3.370 16.125) 16.473 6.358 ( 0.000 -1.025 6.691) 6.769 6.358 ( 0.000 1.025 6.691) 6.769 6.652 ( 0.000 -1.768 12.019) 12.148 6.652 ( 0.000 1.768 12.019) 12.148 6.681 ( 0.000 -0.748 12.225) 12.248 6.681 ( 0.000 0.748 12.225) 12.248 7.985 ( 0.000 -2.232 -0.042) 2.232 7.985 ( 0.000 2.232 -0.042) 2.232 8.135 ( 0.000 -1.441 1.549) 2.116 8.135 ( 0.000 1.441 1.549) 2.116 8.669 ( 0.000 -0.099 -0.068) 0.120 8.669 ( 0.000 0.099 -0.068) 0.120 8.769 ( 0.000 -0.864 0.324) 0.923 8.769 ( 0.000 0.864 0.324) 0.923 8.820 ( 0.000 -2.300 3.200) 3.940 8.820 ( 0.000 2.300 3.200) 3.940 8.857 ( 0.000 -2.263 2.791) 3.594 8.857 ( 0.000 2.263 2.791) 3.594 9.146 ( 0.000 -3.098 -0.968) 3.245 9.146 ( 0.000 3.098 -0.968) 3.245 9.243 ( 0.000 -3.656 -0.194) 3.661 9.243 ( 0.000 3.656 -0.194) 3.661 9.627 ( 0.000 -7.403 -3.026) 7.998 9.627 ( 0.000 7.403 -3.026) 7.998 9.715 ( 0.000 -1.512 -3.264) 3.597 9.715 ( 0.000 1.512 -3.264) 3.597 10.613 ( 0.000 -0.369 -0.223) 0.431 10.613 ( 0.000 0.369 -0.223) 0.431 10.732 ( 0.000 -1.822 -0.467) 1.881 10.732 ( 0.000 1.822 -0.467) 1.881 11.292 ( 0.000 -0.023 -1.062) 1.062 11.292 ( 0.000 0.023 -1.062) 1.062 11.311 ( 0.000 -0.435 -0.631) 0.766 11.311 ( 0.000 0.435 -0.631) 0.766 11.567 ( 0.000 -1.273 0.020) 1.273 11.567 ( 0.000 1.273 0.020) 1.273 11.653 ( 0.000 -0.702 -0.130) 0.714 11.653 ( 0.000 0.702 -0.130) 0.714 11.684 ( 0.000 -1.830 1.184) 2.180 11.684 ( 0.000 1.830 1.184) 2.180 12.024 ( 0.000 -1.917 -0.759) 2.062 12.024 ( 0.000 1.917 -0.759) 2.062 12.628 ( 0.000 -2.013 -1.762) 2.675 12.628 ( 0.000 2.013 -1.762) 2.675 12.814 ( 0.000 -0.862 2.009) 2.187 12.814 ( 0.000 0.862 2.009) 2.187 13.082 ( 0.000 -2.673 3.429) 4.348 13.082 ( 0.000 2.673 3.429) 4.348 13.119 ( 0.000 -2.781 0.395) 2.809 13.119 ( 0.000 2.781 0.395) 2.809 13.422 ( 0.000 -6.896 7.160) 9.941 13.422 ( 0.000 6.896 7.160) 9.941 13.687 ( 0.000 -6.994 8.007) 10.632 13.687 ( 0.000 6.994 8.007) 10.632 14.186 ( 0.000 -6.513 -3.589) 7.437 14.186 ( 0.000 6.513 -3.589) 7.437 14.294 ( 0.000 -4.295 -2.164) 4.810 14.294 ( 0.000 4.295 -2.164) 4.810 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 6.143 -8.768 -7.391) 13.010 1.567 ( 6.143 8.768 -7.391) 13.010 1.765 ( 1.607 -2.512 -2.922) 4.175 1.765 ( 1.607 2.512 -2.922) 4.175 1.910 ( 2.658 -9.840 0.590) 10.210 1.910 ( 2.658 9.840 0.590) 10.210 2.272 ( -10.523 -8.907 4.405) 14.474 2.272 ( -10.523 8.907 4.405) 14.474 2.850 ( 4.745 -5.613 -6.838) 10.039 2.850 ( 4.745 5.613 -6.838) 10.039 2.923 ( 0.961 -12.487 -2.692) 12.810 2.923 ( 0.961 12.487 -2.692) 12.810 3.076 ( 3.449 -14.939 0.679) 15.347 3.076 ( 3.449 14.939 0.679) 15.347 3.349 ( -8.330 -7.177 -8.468) 13.878 3.349 ( -8.330 7.177 -8.468) 13.878 3.667 ( 1.552 -7.600 -7.642) 10.889 3.667 ( 1.552 7.600 -7.642) 10.889 3.923 ( -5.648 -0.121 -9.161) 10.763 3.923 ( -5.648 0.121 -9.161) 10.763 4.000 ( -0.408 -5.363 -8.190) 9.798 4.000 ( -0.408 5.363 -8.190) 9.798 4.090 ( -1.636 -9.088 -3.437) 9.853 4.090 ( -1.636 9.088 -3.437) 9.853 4.382 ( 4.680 -6.189 -3.990) 8.725 4.382 ( 4.680 6.189 -3.990) 8.725 4.459 ( 3.727 -6.395 -7.405) 10.470 4.459 ( 3.727 6.395 -7.405) 10.470 4.555 ( 2.805 -1.939 -15.384) 15.758 4.555 ( 2.805 1.939 -15.384) 15.758 4.770 ( -4.971 -2.711 -3.144) 6.476 4.770 ( -4.971 2.711 -3.144) 6.476 4.985 ( 1.926 -4.853 3.005) 6.024 4.985 ( 1.926 4.853 3.005) 6.024 5.050 ( -1.520 -4.200 0.879) 4.552 5.050 ( -1.520 4.200 0.879) 4.552 5.155 ( 3.047 -0.953 -2.342) 3.959 5.155 ( 3.047 0.953 -2.342) 3.959 5.292 ( -2.736 -3.683 -3.591) 5.826 5.292 ( -2.736 3.683 -3.591) 5.826 5.558 ( 3.559 -3.101 4.572) 6.571 5.558 ( 3.559 3.101 4.572) 6.571 5.787 ( -6.791 -2.305 2.534) 7.606 5.787 ( -6.791 2.305 2.534) 7.606 5.971 ( 1.061 -1.603 7.317) 7.565 5.971 ( 1.061 1.603 7.317) 7.565 6.048 ( -3.375 -2.018 4.396) 5.898 6.048 ( -3.375 2.018 4.396) 5.898 6.224 ( 4.053 -2.938 10.336) 11.485 6.224 ( 4.053 2.938 10.336) 11.485 6.340 ( -2.047 -1.613 7.567) 8.003 6.340 ( -2.047 1.613 7.567) 8.003 6.657 ( 0.703 -2.158 12.027) 12.239 6.657 ( 0.703 2.158 12.027) 12.239 6.682 ( -0.085 -1.486 12.145) 12.236 6.682 ( -0.085 1.486 12.145) 12.236 8.017 ( 3.351 -1.796 -0.232) 3.809 8.017 ( 3.351 1.796 -0.232) 3.809 8.126 ( -1.277 -1.275 0.943) 2.036 8.126 ( -1.277 1.275 0.943) 2.036 8.679 ( 1.187 -0.456 0.077) 1.274 8.679 ( 1.187 0.456 0.077) 1.274 8.750 ( -1.983 -0.535 0.570) 2.132 8.750 ( -1.983 0.535 0.570) 2.132 8.828 ( 0.920 -2.432 2.956) 3.937 8.828 ( 0.920 2.432 2.956) 3.937 8.858 ( -0.133 -2.432 2.572) 3.542 8.858 ( -0.133 2.432 2.572) 3.542 9.160 ( 1.530 -3.554 -0.739) 3.939 9.160 ( 1.530 3.554 -0.739) 3.939 9.229 ( -1.538 -3.839 -0.208) 4.141 9.229 ( -1.538 3.839 -0.208) 4.141 9.641 ( 1.509 -6.749 -3.009) 7.542 9.641 ( 1.509 6.749 -3.009) 7.542 9.704 ( -1.296 -2.848 -3.179) 4.460 9.704 ( -1.296 2.848 -3.179) 4.460 10.629 ( 1.777 -1.307 -0.188) 2.214 10.629 ( 1.777 1.307 -0.188) 2.214 10.713 ( -2.009 -1.925 -0.331) 2.802 10.713 ( -2.009 1.925 -0.331) 2.802 11.289 ( -0.188 -0.126 -0.918) 0.946 11.289 ( -0.188 0.126 -0.918) 0.946 11.303 ( -0.788 -0.385 -0.571) 1.046 11.303 ( -0.788 0.385 -0.571) 1.046 11.577 ( 1.154 -1.579 -0.179) 1.964 11.577 ( 1.154 1.579 -0.179) 1.964 11.623 ( -1.259 -1.374 0.141) 1.869 11.623 ( -1.259 1.374 0.141) 1.869 11.768 ( 6.523 -1.877 0.574) 6.812 11.768 ( 6.523 1.877 0.574) 6.812 11.985 ( -4.255 -1.800 -0.504) 4.647 11.985 ( -4.255 1.800 -0.504) 4.647 12.657 ( 3.233 -2.289 -1.454) 4.220 12.657 ( 3.233 2.289 -1.454) 4.220 12.796 ( -2.303 -2.029 1.194) 3.293 12.796 ( -2.303 2.029 1.194) 3.293 13.075 ( -0.596 -4.575 3.262) 5.650 13.075 ( -0.596 4.575 3.262) 5.650 13.096 ( -1.756 -4.162 0.619) 4.559 13.096 ( -1.756 4.162 0.619) 4.559 13.479 ( 5.483 -6.808 7.472) 11.499 13.479 ( 5.483 6.808 7.472) 11.499 13.659 ( -3.092 -6.717 8.033) 10.918 13.659 ( -3.092 6.717 8.033) 10.918 14.194 ( 1.017 -6.631 -3.372) 7.508 14.194 ( 1.017 6.631 -3.372) 7.508 14.270 ( -2.369 -5.121 -2.357) 6.115 14.270 ( -2.369 5.121 -2.357) 6.115 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -6.553 -8.917 -8.471) 13.936 1.695 ( 4.088 -8.541 -8.471) 12.705 1.695 ( -4.088 8.541 -8.471) 12.705 1.695 ( 6.553 8.917 -8.471) 13.936 2.063 ( -10.126 -8.800 4.668) 14.205 2.063 ( -0.836 -7.210 4.668) 8.629 2.063 ( 0.836 7.210 4.668) 8.629 2.063 ( 10.126 8.800 4.668) 14.205 2.919 ( -2.685 -7.405 -2.679) 8.320 2.919 ( 2.680 -7.405 -2.679) 8.318 2.919 ( -2.680 7.405 -2.679) 8.318 2.919 ( 2.685 7.405 -2.679) 8.320 3.178 ( -8.386 -9.469 -3.248) 13.059 3.178 ( 5.970 -9.000 -3.248) 11.277 3.178 ( -5.970 9.000 -3.248) 11.277 3.178 ( 8.386 9.469 -3.248) 13.059 3.767 ( -7.883 -8.380 -10.110) 15.316 3.767 ( 3.476 -7.597 -10.110) 13.115 3.767 ( -3.476 7.597 -10.110) 13.115 3.767 ( 7.883 8.380 -10.110) 15.316 4.043 ( -2.160 -9.196 -5.692) 11.028 4.043 ( 1.405 -9.159 -5.692) 10.875 4.043 ( -1.405 9.159 -5.692) 10.875 4.043 ( 2.160 9.196 -5.692) 11.028 4.467 ( -3.021 -7.345 -10.338) 13.037 4.467 ( 2.835 -7.326 -10.338) 12.984 4.467 ( -2.835 7.326 -10.338) 12.984 4.467 ( 3.021 7.345 -10.338) 13.037 4.650 ( -7.452 -6.122 -4.019) 10.448 4.650 ( 7.440 -6.118 -4.019) 10.437 4.650 ( -7.440 6.118 -4.019) 10.437 4.650 ( 7.452 6.122 -4.019) 10.448 5.021 ( -1.961 -6.077 1.856) 6.650 5.021 ( 1.961 -6.077 1.856) 6.650 5.021 ( -1.961 6.077 1.856) 6.650 5.021 ( 1.961 6.077 1.856) 6.650 5.225 ( -2.878 -6.697 -3.553) 8.109 5.225 ( 0.505 -6.545 -3.553) 7.464 5.225 ( -0.505 6.545 -3.553) 7.464 5.225 ( 2.878 6.697 -3.553) 8.109 5.656 ( -6.170 -4.303 3.407) 8.258 5.656 ( -1.494 -3.091 3.407) 4.837 5.656 ( 1.494 3.091 3.407) 4.837 5.656 ( 6.170 4.303 3.407) 8.258 5.999 ( -2.093 -1.866 6.208) 6.812 5.999 ( 1.526 -1.722 6.208) 6.621 5.999 ( -1.526 1.722 6.208) 6.621 5.999 ( 2.093 1.866 6.208) 6.812 6.290 ( -3.149 -2.772 8.877) 9.818 6.290 ( 1.088 -2.345 8.877) 9.245 6.290 ( -1.088 2.345 8.877) 9.245 6.290 ( 3.149 2.772 8.877) 9.818 6.673 ( -0.842 -2.353 12.067) 12.323 6.673 ( 0.792 -2.349 12.067) 12.319 6.673 ( -0.792 2.349 12.067) 12.319 6.673 ( 0.842 2.353 12.067) 12.323 8.083 ( -3.441 -1.168 -0.036) 3.634 8.083 ( -2.657 0.411 -0.036) 2.689 8.083 ( 2.657 -0.411 -0.036) 2.689 8.083 ( 3.441 1.168 -0.036) 3.634 8.710 ( -1.209 -2.034 0.476) 2.414 8.710 ( -0.736 -1.977 0.476) 2.163 8.710 ( 0.736 1.977 0.476) 2.163 8.710 ( 1.209 2.034 0.476) 2.414 8.847 ( -1.017 -2.624 2.581) 3.818 8.847 ( 0.984 -2.621 2.581) 3.807 8.847 ( -0.984 2.621 2.581) 3.807 8.847 ( 1.017 2.624 2.581) 3.818 9.194 ( -2.094 -4.284 -0.364) 4.782 9.194 ( 1.917 -4.263 -0.364) 4.689 9.194 ( -1.917 4.263 -0.364) 4.689 9.194 ( 2.094 4.284 -0.364) 4.782 9.673 ( -1.830 -5.536 -3.041) 6.576 9.673 ( 1.693 -5.525 -3.041) 6.530 9.673 ( -1.693 5.525 -3.041) 6.530 9.673 ( 1.830 5.536 -3.041) 6.576 10.670 ( -2.340 -2.411 -0.180) 3.364 10.670 ( 0.952 -2.162 -0.180) 2.369 10.670 ( -0.952 2.162 -0.180) 2.369 10.670 ( 2.340 2.411 -0.180) 3.364 11.291 ( -0.161 -1.166 -0.656) 1.348 11.291 ( 0.022 -1.163 -0.656) 1.336 11.291 ( -0.022 1.163 -0.656) 1.336 11.291 ( 0.161 1.166 -0.656) 1.348 11.602 ( -1.333 -2.001 -0.178) 2.411 11.602 ( 1.180 -1.976 -0.178) 2.309 11.602 ( -1.180 1.976 -0.178) 2.309 11.602 ( 1.333 2.001 -0.178) 2.411 11.887 ( -6.401 -1.970 0.067) 6.698 11.887 ( -5.273 0.767 0.067) 5.329 11.887 ( 5.273 -0.767 0.067) 5.329 11.887 ( 6.401 1.970 0.067) 6.698 12.731 ( -4.580 -2.788 -0.399) 5.376 12.731 ( 2.533 -2.033 -0.399) 3.272 12.731 ( -2.533 2.033 -0.399) 3.272 12.731 ( 4.580 2.788 -0.399) 5.376 13.074 ( -0.624 -6.122 1.980) 6.465 13.074 ( 0.613 -6.122 1.980) 6.463 13.074 ( -0.613 6.122 1.980) 6.463 13.074 ( 0.624 6.122 1.980) 6.465 13.582 ( -5.360 -6.998 7.935) 11.861 13.582 ( 4.674 -6.874 7.935) 11.492 13.582 ( -4.674 6.874 7.935) 11.492 13.582 ( 5.360 6.998 7.935) 11.861 14.225 ( -2.339 -6.622 -2.858) 7.583 14.225 ( 2.253 -6.615 -2.858) 7.550 14.225 ( -2.253 6.615 -2.858) 7.550 14.225 ( 2.339 6.622 -2.858) 7.583 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 0.000 23.152) 23.152 1.076 ( 0.000 0.000 21.224) 21.224 1.214 ( 0.000 0.000 12.294) 12.294 1.794 ( 0.000 0.000 40.223) 40.223 1.825 ( 0.000 0.000 -16.320) 16.320 2.041 ( 0.000 0.000 21.104) 21.104 2.048 ( 0.000 0.000 -13.345) 13.345 2.259 ( 0.000 0.000 -6.987) 6.987 2.417 ( 0.000 0.000 -14.080) 14.080 2.530 ( 0.000 0.000 -14.589) 14.589 2.572 ( 0.000 0.000 -3.958) 3.958 2.614 ( 0.000 0.000 4.888) 4.888 2.898 ( 0.000 0.000 -19.180) 19.180 3.094 ( 0.000 0.000 -14.822) 14.822 3.119 ( 0.000 0.000 -12.802) 12.802 3.178 ( 0.000 0.000 -6.110) 6.110 3.245 ( 0.000 0.000 2.684) 2.684 3.253 ( 0.000 0.000 -3.891) 3.891 3.305 ( 0.000 0.000 -0.318) 0.318 3.329 ( 0.000 0.000 -9.345) 9.345 3.576 ( 0.000 0.000 -23.999) 23.999 3.647 ( 0.000 0.000 -5.161) 5.161 3.852 ( 0.000 0.000 -15.511) 15.511 3.901 ( 0.000 0.000 -17.425) 17.425 4.002 ( 0.000 0.000 -6.834) 6.834 4.078 ( 0.000 0.000 -4.605) 4.605 4.098 ( 0.000 0.000 0.248) 0.248 4.369 ( 0.000 0.000 -4.030) 4.030 4.401 ( 0.000 0.000 -3.358) 3.358 4.446 ( 0.000 0.000 -3.320) 3.320 4.695 ( 0.000 0.000 -5.160) 5.160 4.704 ( 0.000 0.000 -0.253) 0.253 4.806 ( 0.000 0.000 -7.870) 7.870 4.844 ( 0.000 0.000 -5.452) 5.452 4.869 ( 0.000 0.000 -0.653) 0.653 4.902 ( 0.000 0.000 -15.002) 15.002 5.132 ( 0.000 0.000 -5.144) 5.144 5.233 ( 0.000 0.000 -13.135) 13.135 5.346 ( 0.000 0.000 -8.339) 8.339 5.610 ( 0.000 0.000 -9.962) 9.962 5.944 ( 0.000 0.000 13.361) 13.361 6.009 ( 0.000 0.000 7.740) 7.740 6.051 ( 0.000 0.000 21.062) 21.062 6.074 ( 0.000 0.000 0.397) 0.397 6.119 ( 0.000 0.000 2.959) 2.959 6.184 ( 0.000 0.000 0.332) 0.332 6.277 ( 0.000 0.000 4.103) 4.103 6.466 ( 0.000 0.000 9.489) 9.489 6.518 ( 0.000 0.000 8.999) 8.999 6.584 ( 0.000 0.000 6.171) 6.171 6.702 ( 0.000 0.000 8.727) 8.727 6.790 ( 0.000 0.000 4.428) 4.428 6.900 ( 0.000 0.000 17.923) 17.923 6.957 ( 0.000 0.000 11.908) 11.908 7.116 ( 0.000 0.000 13.296) 13.296 7.214 ( 0.000 0.000 7.360) 7.360 7.894 ( 0.000 0.000 0.532) 0.532 8.068 ( 0.000 0.000 -2.636) 2.636 8.171 ( 0.000 0.000 2.430) 2.430 8.249 ( 0.000 0.000 -0.211) 0.211 8.564 ( 0.000 0.000 1.535) 1.535 8.588 ( 0.000 0.000 1.169) 1.169 8.692 ( 0.000 0.000 2.255) 2.255 8.763 ( 0.000 0.000 2.564) 2.564 8.782 ( 0.000 0.000 2.300) 2.300 8.875 ( 0.000 0.000 -0.282) 0.282 9.056 ( 0.000 0.000 -2.911) 2.911 9.082 ( 0.000 0.000 6.633) 6.633 9.119 ( 0.000 0.000 0.483) 0.483 9.125 ( 0.000 0.000 0.169) 0.169 9.169 ( 0.000 0.000 -0.307) 0.307 9.252 ( 0.000 0.000 1.722) 1.722 9.411 ( 0.000 0.000 -0.656) 0.656 9.427 ( 0.000 0.000 -5.533) 5.533 9.760 ( 0.000 0.000 3.335) 3.335 10.276 ( 0.000 0.000 -6.379) 6.379 10.769 ( 0.000 0.000 1.387) 1.387 10.952 ( 0.000 0.000 -0.354) 0.354 10.986 ( 0.000 0.000 1.792) 1.792 11.081 ( 0.000 0.000 0.431) 0.431 11.097 ( 0.000 0.000 0.205) 0.205 11.109 ( 0.000 0.000 1.073) 1.073 11.166 ( 0.000 0.000 -0.777) 0.777 11.188 ( 0.000 0.000 -1.382) 1.382 11.305 ( 0.000 0.000 0.657) 0.657 11.415 ( 0.000 0.000 -0.955) 0.955 11.642 ( 0.000 0.000 0.534) 0.534 11.646 ( 0.000 0.000 1.299) 1.299 11.724 ( 0.000 0.000 -1.419) 1.419 11.760 ( 0.000 0.000 2.729) 2.729 12.009 ( 0.000 0.000 -1.057) 1.057 12.040 ( 0.000 0.000 -1.644) 1.644 12.266 ( 0.000 0.000 -7.220) 7.220 12.560 ( 0.000 0.000 -6.100) 6.100 12.715 ( 0.000 0.000 4.112) 4.112 12.918 ( 0.000 0.000 4.523) 4.523 12.921 ( 0.000 0.000 5.354) 5.354 13.095 ( 0.000 0.000 -0.537) 0.537 13.105 ( 0.000 0.000 5.604) 5.604 13.468 ( 0.000 0.000 -1.643) 1.643 13.499 ( 0.000 0.000 8.262) 8.262 13.532 ( 0.000 0.000 6.372) 6.372 13.628 ( 0.000 0.000 0.107) 0.107 13.812 ( 0.000 0.000 1.576) 1.576 13.960 ( 0.000 0.000 4.576) 4.576 14.282 ( 0.000 0.000 -1.798) 1.798 14.511 ( 0.000 0.000 3.355) 3.355 14.550 ( 0.000 0.000 2.514) 2.514 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 6.414 0.000 23.253) 24.122 1.097 ( 2.295 0.000 20.104) 20.234 1.195 ( -2.060 0.000 13.896) 14.047 1.694 ( -21.911 0.000 7.337) 23.107 1.859 ( 4.022 0.000 -15.486) 16.000 1.994 ( 15.983 0.000 31.575) 35.389 2.136 ( -9.981 0.000 -11.385) 15.140 2.224 ( 5.703 0.000 5.465) 7.899 2.456 ( 2.082 0.000 -7.279) 7.571 2.510 ( -1.341 0.000 -7.493) 7.612 2.650 ( 5.320 0.000 5.776) 7.853 2.665 ( 7.945 0.000 -15.183) 17.137 2.872 ( -2.916 0.000 -19.155) 19.376 3.054 ( -7.523 0.000 -2.490) 7.924 3.115 ( 1.310 0.000 -16.420) 16.472 3.175 ( -2.082 0.000 -7.297) 7.588 3.239 ( 0.235 0.000 -6.376) 6.380 3.246 ( 4.212 0.000 -0.995) 4.328 3.341 ( 2.810 0.000 2.438) 3.720 3.344 ( -1.184 0.000 -7.236) 7.332 3.594 ( 3.937 0.000 -20.890) 21.258 3.717 ( 7.165 0.000 -4.749) 8.596 3.729 ( -8.781 0.000 -17.477) 19.559 3.877 ( -9.166 0.000 -8.831) 12.728 3.887 ( -8.563 0.000 -9.699) 12.938 4.021 ( -6.303 0.000 -4.619) 7.815 4.231 ( 10.262 0.000 0.334) 10.267 4.348 ( -0.469 0.000 -8.148) 8.161 4.389 ( 0.477 0.000 -4.573) 4.597 4.421 ( 1.152 0.000 -3.496) 3.681 4.600 ( -8.846 0.000 0.367) 8.854 4.733 ( 2.797 0.000 -4.703) 5.472 4.741 ( -10.421 0.000 -9.637) 14.194 4.816 ( -1.508 0.000 -15.364) 15.438 4.854 ( -2.218 0.000 -2.109) 3.060 4.862 ( -0.264 0.000 -14.502) 14.504 5.232 ( 8.603 0.000 -2.837) 9.059 5.345 ( 2.907 0.000 -8.863) 9.328 5.383 ( 8.207 0.000 -10.275) 13.151 5.583 ( -2.575 0.000 -9.828) 10.160 5.957 ( 2.767 0.000 14.263) 14.529 6.041 ( -0.039 0.000 19.377) 19.377 6.054 ( -1.295 0.000 1.861) 2.267 6.105 ( -2.479 0.000 6.830) 7.266 6.113 ( 7.958 0.000 9.600) 12.469 6.194 ( 1.933 0.000 -0.491) 1.994 6.270 ( -1.101 0.000 3.180) 3.365 6.380 ( -6.122 0.000 9.287) 11.123 6.550 ( -2.907 0.000 6.429) 7.056 6.552 ( -0.661 0.000 9.079) 9.103 6.708 ( 1.790 0.000 7.423) 7.636 6.785 ( -0.706 0.000 5.767) 5.810 6.903 ( 0.555 0.000 16.885) 16.895 6.954 ( -0.707 0.000 13.339) 13.358 7.115 ( 0.001 0.000 13.054) 13.054 7.167 ( -3.862 0.000 10.306) 11.006 7.923 ( 2.984 0.000 -0.405) 3.011 8.045 ( -2.477 0.000 -2.557) 3.560 8.159 ( -0.343 0.000 2.271) 2.297 8.229 ( -2.317 0.000 -0.408) 2.353 8.568 ( 0.418 0.000 1.525) 1.581 8.585 ( -0.351 0.000 1.250) 1.299 8.716 ( 2.602 0.000 1.801) 3.165 8.766 ( 0.309 0.000 2.484) 2.503 8.779 ( -0.266 0.000 2.299) 2.314 8.843 ( -3.311 0.000 -0.009) 3.311 9.067 ( 1.070 0.000 -2.233) 2.477 9.098 ( 0.733 0.000 3.632) 3.705 9.126 ( 0.806 0.000 0.444) 0.920 9.136 ( 2.047 0.000 2.072) 2.913 9.162 ( -0.788 0.000 -0.120) 0.797 9.257 ( -0.304 0.000 1.248) 1.285 9.379 ( -2.437 0.000 -1.321) 2.772 9.412 ( -1.573 0.000 -1.909) 2.474 9.812 ( 5.575 0.000 3.257) 6.457 10.149 ( -11.697 0.000 -0.580) 11.711 10.788 ( 1.569 0.000 1.727) 2.333 10.891 ( -4.553 0.000 2.773) 5.331 10.999 ( 1.476 0.000 1.026) 1.798 11.083 ( -2.046 0.000 1.854) 2.762 11.083 ( 0.268 0.000 0.400) 0.481 11.095 ( -0.248 0.000 0.241) 0.346 11.170 ( 0.433 0.000 -0.873) 0.975 11.186 ( -0.269 0.000 -1.299) 1.326 11.321 ( 1.132 0.000 0.732) 1.348 11.384 ( -2.449 0.000 -0.094) 2.451 11.653 ( 1.265 0.000 0.372) 1.318 11.695 ( 5.368 0.000 -4.085) 6.745 11.712 ( -1.287 0.000 -1.007) 1.634 11.821 ( 2.233 0.000 -0.560) 2.302 12.013 ( 0.381 0.000 -1.138) 1.200 12.034 ( -0.570 0.000 -1.555) 1.657 12.321 ( 6.275 0.000 -5.358) 8.251 12.592 ( -2.393 0.000 -3.000) 3.838 12.736 ( 6.340 0.000 -1.545) 6.525 12.909 ( 0.352 0.000 4.862) 4.875 12.916 ( -1.185 0.000 4.522) 4.675 13.061 ( -3.985 0.000 -1.971) 4.445 13.137 ( 3.555 0.000 5.198) 6.298 13.347 ( -7.507 0.000 3.324) 8.210 13.545 ( 1.400 0.000 5.548) 5.722 13.613 ( -0.386 0.000 1.450) 1.500 13.614 ( 5.507 0.000 2.973) 6.258 13.788 ( -2.693 0.000 1.802) 3.240 14.023 ( 6.629 0.000 4.281) 7.891 14.265 ( -3.080 0.000 -0.812) 3.186 14.498 ( 0.278 0.000 2.459) 2.475 14.556 ( -0.334 0.000 0.824) 0.889 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -3.073 0.000 17.236) 17.508 1.147 ( 3.073 0.000 17.236) 17.508 1.309 ( -19.195 0.000 16.269) 25.162 1.309 ( 19.195 0.000 16.269) 25.162 1.969 ( -8.272 0.000 -13.682) 15.988 1.969 ( 8.272 0.000 -13.682) 15.988 2.220 ( -6.878 0.000 14.020) 15.616 2.220 ( 6.878 0.000 14.020) 15.616 2.485 ( -1.492 0.000 -6.101) 6.281 2.485 ( 1.492 0.000 -6.101) 6.281 2.794 ( -6.031 0.000 -18.710) 19.658 2.794 ( 6.031 0.000 -18.710) 19.658 2.840 ( -14.728 0.000 6.700) 16.180 2.840 ( 14.728 0.000 6.700) 16.180 3.141 ( -1.569 0.000 -12.327) 12.426 3.141 ( 1.569 0.000 -12.327) 12.426 3.282 ( -4.179 0.000 -7.586) 8.661 3.282 ( 4.179 0.000 -7.586) 8.661 3.350 ( -4.286 0.000 3.349) 5.439 3.350 ( 4.286 0.000 3.349) 5.439 3.674 ( -6.610 0.000 -13.167) 14.732 3.674 ( 6.610 0.000 -13.167) 14.732 3.721 ( -9.029 0.000 -13.631) 16.350 3.721 ( 9.029 0.000 -13.631) 16.350 3.876 ( -9.254 0.000 -5.527) 10.779 3.876 ( 9.254 0.000 -5.527) 10.779 4.390 ( -1.394 0.000 -5.390) 5.567 4.390 ( 1.394 0.000 -5.390) 5.567 4.420 ( -10.923 0.000 0.838) 10.955 4.420 ( 10.923 0.000 0.838) 10.955 4.521 ( -11.388 0.000 -11.826) 16.418 4.521 ( 11.388 0.000 -11.826) 16.418 4.796 ( -3.914 0.000 -3.822) 5.471 4.796 ( 3.914 0.000 -3.822) 5.471 4.838 ( -2.047 0.000 -15.192) 15.329 4.838 ( 2.047 0.000 -15.192) 15.329 5.337 ( -3.107 0.000 -6.174) 6.912 5.337 ( 3.107 0.000 -6.174) 6.912 5.521 ( -5.350 0.000 -10.173) 11.494 5.521 ( 5.350 0.000 -10.173) 11.494 6.017 ( -2.866 0.000 17.747) 17.977 6.017 ( 2.866 0.000 17.747) 17.977 6.057 ( -1.976 0.000 6.373) 6.672 6.057 ( 1.976 0.000 6.373) 6.672 6.237 ( -2.432 0.000 1.513) 2.864 6.237 ( 2.432 0.000 1.513) 2.864 6.260 ( -7.814 0.000 8.867) 11.819 6.260 ( 7.814 0.000 8.867) 11.819 6.521 ( -0.644 0.000 7.755) 7.782 6.521 ( 0.644 0.000 7.755) 7.782 6.756 ( -2.608 0.000 6.800) 7.283 6.756 ( 2.608 0.000 6.800) 7.283 6.926 ( -1.976 0.000 15.457) 15.583 6.926 ( 1.976 0.000 15.457) 15.583 7.122 ( -1.109 0.000 12.576) 12.625 7.122 ( 1.109 0.000 12.576) 12.625 7.987 ( -3.879 0.000 -1.893) 4.316 7.987 ( 3.879 0.000 -1.893) 4.316 8.180 ( -2.547 0.000 0.682) 2.637 8.180 ( 2.547 0.000 0.682) 2.637 8.577 ( -0.551 0.000 1.421) 1.524 8.577 ( 0.551 0.000 1.421) 1.524 8.773 ( -0.412 0.000 2.352) 2.388 8.773 ( 0.412 0.000 2.352) 2.388 8.776 ( -3.888 0.000 0.818) 3.973 8.776 ( 3.888 0.000 0.818) 3.973 9.088 ( -1.223 0.000 -0.311) 1.262 9.088 ( 1.223 0.000 -0.311) 1.262 9.144 ( -1.138 0.000 0.236) 1.162 9.144 ( 1.138 0.000 0.236) 1.162 9.206 ( -4.741 0.000 2.342) 5.288 9.206 ( 4.741 0.000 2.342) 5.288 9.377 ( -1.896 0.000 -0.384) 1.935 9.377 ( 1.896 0.000 -0.384) 1.935 9.949 ( -9.925 0.000 3.219) 10.434 9.949 ( 9.925 0.000 3.219) 10.434 10.824 ( -2.861 0.000 2.938) 4.101 10.824 ( 2.861 0.000 2.938) 4.101 11.040 ( -2.759 0.000 1.250) 3.028 11.040 ( 2.759 0.000 1.250) 3.028 11.089 ( -0.355 0.000 0.322) 0.479 11.089 ( 0.355 0.000 0.322) 0.479 11.179 ( -0.487 0.000 -1.092) 1.196 11.179 ( 0.487 0.000 -1.092) 1.196 11.345 ( -1.844 0.000 0.223) 1.857 11.345 ( 1.844 0.000 0.223) 1.857 11.683 ( -1.861 0.000 -0.190) 1.871 11.683 ( 1.861 0.000 -0.190) 1.871 11.793 ( -4.591 0.000 -4.426) 6.377 11.793 ( 4.591 0.000 -4.426) 6.377 12.022 ( -0.683 0.000 -1.347) 1.510 12.022 ( 0.683 0.000 -1.347) 1.510 12.466 ( -9.200 0.000 -1.638) 9.345 12.466 ( 9.200 0.000 -1.638) 9.345 12.868 ( -4.886 0.000 0.670) 4.932 12.868 ( 4.886 0.000 0.670) 4.932 12.963 ( -5.873 0.000 -0.879) 5.939 12.963 ( 5.873 0.000 -0.879) 5.939 13.224 ( -6.195 0.000 4.321) 7.553 13.224 ( 6.195 0.000 4.321) 7.553 13.578 ( -2.170 0.000 3.484) 4.104 13.578 ( 2.170 0.000 3.484) 4.104 13.719 ( -5.052 0.000 2.400) 5.593 13.719 ( 5.052 0.000 2.400) 5.593 14.161 ( -7.976 0.000 2.476) 8.352 14.161 ( 7.976 0.000 2.476) 8.352 14.530 ( -2.386 0.000 -0.072) 2.387 14.530 ( 2.386 0.000 -0.072) 2.387 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 2.424 26.592) 26.703 1.114 ( 0.000 9.199 20.152) 22.152 1.435 ( 0.000 14.591 10.222) 17.815 1.830 ( 0.000 -10.981 -6.011) 12.519 1.892 ( 0.000 3.639 -15.149) 15.580 2.082 ( 0.000 20.358 23.006) 30.720 2.178 ( 0.000 13.026 16.622) 21.117 2.386 ( 0.000 9.039 -2.925) 9.501 2.414 ( 0.000 -3.202 -10.286) 10.772 2.517 ( 0.000 -0.872 -13.770) 13.798 2.625 ( 0.000 0.457 -10.772) 10.782 2.685 ( 0.000 7.259 -2.870) 7.806 2.850 ( 0.000 -4.718 -12.954) 13.786 3.031 ( 0.000 -7.343 -3.639) 8.195 3.070 ( 0.000 0.977 -7.229) 7.294 3.159 ( 0.000 3.248 -7.419) 8.099 3.232 ( 0.000 4.859 -13.439) 14.290 3.289 ( 0.000 0.888 -1.874) 2.074 3.370 ( 0.000 4.777 -1.857) 5.125 3.512 ( 0.000 10.672 -10.385) 14.891 3.693 ( 0.000 10.184 -14.333) 17.583 3.772 ( 0.000 10.745 -5.215) 11.944 3.842 ( 0.000 0.141 -15.436) 15.436 3.925 ( 0.000 2.152 -16.737) 16.874 4.031 ( 0.000 1.923 -6.690) 6.961 4.063 ( 0.000 -3.953 -8.787) 9.636 4.193 ( 0.000 6.422 -2.783) 6.999 4.368 ( 0.000 2.148 -6.282) 6.639 4.427 ( 0.000 1.710 -2.913) 3.378 4.487 ( 0.000 4.865 3.905) 6.238 4.644 ( 0.000 -7.869 -5.692) 9.712 4.693 ( 0.000 -4.297 -5.987) 7.369 4.792 ( 0.000 3.440 -5.803) 6.746 4.837 ( 0.000 3.903 -2.876) 4.848 4.875 ( 0.000 0.389 -0.587) 0.704 4.926 ( 0.000 1.275 -16.438) 16.487 5.156 ( 0.000 1.446 -3.421) 3.714 5.182 ( 0.000 -5.684 -10.382) 11.836 5.307 ( 0.000 -2.296 -8.449) 8.755 5.551 ( 0.000 -5.864 -5.930) 8.339 5.872 ( 0.000 -5.091 5.967) 7.844 5.877 ( 0.000 -9.824 6.533) 11.798 6.024 ( 0.000 -2.059 18.347) 18.462 6.075 ( 0.000 -1.719 0.037) 1.720 6.113 ( 0.000 -2.997 -0.838) 3.112 6.167 ( 0.000 -0.555 5.930) 5.955 6.233 ( 0.000 -3.688 4.655) 5.939 6.420 ( 0.000 -5.315 6.315) 8.255 6.491 ( 0.000 -1.973 10.888) 11.065 6.553 ( 0.000 -2.250 7.051) 7.401 6.666 ( 0.000 -2.904 9.062) 9.516 6.741 ( 0.000 -3.161 10.388) 10.859 6.905 ( 0.000 0.188 15.535) 15.536 6.954 ( 0.000 -0.249 12.013) 12.016 7.089 ( 0.000 -2.361 13.403) 13.609 7.129 ( 0.000 -6.658 11.292) 13.109 7.909 ( 0.000 1.320 0.649) 1.471 8.057 ( 0.000 -0.976 -1.648) 1.915 8.164 ( 0.000 -0.540 2.323) 2.385 8.224 ( 0.000 -1.641 0.434) 1.697 8.590 ( 0.000 0.764 0.341) 0.836 8.593 ( 0.000 2.468 1.229) 2.757 8.732 ( 0.000 2.100 1.729) 2.720 8.787 ( 0.000 2.441 3.136) 3.974 8.788 ( 0.000 0.337 1.483) 1.521 8.867 ( 0.000 -0.796 1.017) 1.292 8.999 ( 0.000 -1.225 -0.484) 1.317 9.066 ( 0.000 -1.281 5.604) 5.748 9.077 ( 0.000 -3.515 0.468) 3.546 9.137 ( 0.000 -0.516 2.079) 2.142 9.241 ( 0.000 7.019 -1.710) 7.224 9.295 ( 0.000 -0.158 1.782) 1.789 9.388 ( 0.000 -1.988 -0.571) 2.068 9.451 ( 0.000 2.983 -6.859) 7.479 9.740 ( 0.000 -1.789 1.726) 2.486 10.065 ( 0.000 -15.289 -1.166) 15.333 10.688 ( 0.000 -4.836 0.557) 4.868 10.759 ( 0.000 -7.991 0.706) 8.022 10.872 ( 0.000 -6.551 0.975) 6.623 10.938 ( 0.000 -6.685 0.172) 6.688 11.205 ( 0.000 6.220 0.621) 6.251 11.206 ( 0.000 6.126 0.539) 6.150 11.263 ( 0.000 1.027 0.150) 1.038 11.320 ( 0.000 -1.319 -0.756) 1.520 11.354 ( 0.000 6.893 -0.707) 6.930 11.490 ( 0.000 8.228 -3.749) 9.042 11.641 ( 0.000 -0.196 0.657) 0.685 11.649 ( 0.000 0.629 1.315) 1.458 11.682 ( 0.000 -3.174 -0.678) 3.246 11.749 ( 0.000 -0.703 2.417) 2.517 12.003 ( 0.000 -0.795 -1.392) 1.603 12.035 ( 0.000 -0.464 -2.106) 2.156 12.340 ( 0.000 5.961 -7.333) 9.450 12.564 ( 0.000 0.300 -6.301) 6.308 12.749 ( 0.000 2.414 2.550) 3.512 12.902 ( 0.000 1.691 5.637) 5.885 12.925 ( 0.000 0.041 5.424) 5.424 13.061 ( 0.000 -1.678 0.231) 1.694 13.225 ( 0.000 6.024 5.371) 8.070 13.400 ( 0.000 -4.795 2.957) 5.634 13.513 ( 0.000 0.254 7.579) 7.583 13.607 ( 0.000 6.803 5.652) 8.844 13.716 ( 0.000 6.163 -2.483) 6.644 13.865 ( 0.000 2.614 1.808) 3.178 13.918 ( 0.000 -2.064 4.471) 4.925 14.257 ( 0.000 -1.849 -3.405) 3.875 14.425 ( 0.000 -7.230 3.494) 8.030 14.482 ( 0.000 -5.845 1.953) 6.162 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 1.816 3.468 25.140) 25.443 1.268 ( 4.935 8.632 13.369) 16.661 1.404 ( -1.551 12.214 13.886) 18.559 1.683 ( -12.648 0.709 2.153) 12.850 1.929 ( 4.042 3.965 -14.493) 15.560 2.144 ( -3.339 4.862 -4.251) 7.270 2.197 ( 7.628 15.680 21.111) 27.381 2.345 ( 0.081 11.170 4.256) 11.953 2.494 ( 7.531 -3.769 -3.087) 8.969 2.565 ( 2.176 2.163 -10.135) 10.589 2.628 ( -0.972 2.104 -11.976) 12.198 2.711 ( 4.755 2.538 -4.868) 7.263 2.828 ( -2.175 -1.429 -11.712) 11.997 3.033 ( -1.655 -5.414 -1.482) 5.852 3.060 ( -1.150 0.855 -9.200) 9.311 3.122 ( -3.124 -0.570 -4.935) 5.868 3.255 ( 3.423 4.749 -14.992) 16.094 3.285 ( 0.886 -0.160 -0.634) 1.101 3.378 ( 1.043 6.857 -1.487) 7.094 3.491 ( -4.181 8.037 -8.985) 12.760 3.686 ( -2.103 4.927 -13.982) 14.973 3.771 ( -0.511 7.868 -13.747) 15.847 3.816 ( -1.605 6.097 -4.618) 7.815 3.888 ( -1.850 5.431 -12.657) 13.897 4.007 ( -2.291 4.859 -13.052) 14.115 4.080 ( -4.185 3.122 -3.684) 6.390 4.233 ( 6.567 0.998 -2.572) 7.123 4.324 ( -2.469 -0.860 -6.924) 7.401 4.378 ( -2.258 0.858 -2.469) 3.454 4.453 ( 1.299 2.152 -1.998) 3.211 4.622 ( -6.089 -8.522 -6.259) 12.201 4.665 ( -5.421 1.930 -2.384) 6.229 4.760 ( -2.109 4.393 -5.346) 7.233 4.791 ( -3.444 0.054 -10.496) 11.046 4.861 ( 1.439 3.483 -10.203) 10.877 4.941 ( 0.659 2.339 -10.178) 10.464 5.227 ( 6.913 -1.025 -2.727) 7.502 5.305 ( 6.741 -6.395 -7.642) 12.031 5.337 ( 4.737 -0.824 -8.642) 9.889 5.528 ( -2.685 -5.422 -6.824) 9.120 5.865 ( 1.768 -7.429 8.527) 11.447 5.928 ( 1.812 -8.945 5.876) 10.854 6.013 ( 0.138 -3.033 15.914) 16.201 6.065 ( -1.798 -3.394 4.706) 6.075 6.123 ( 1.164 -2.598 1.860) 3.401 6.180 ( 2.321 -0.658 4.538) 5.140 6.224 ( -1.308 -3.675 3.959) 5.558 6.342 ( -5.998 -4.029 7.407) 10.347 6.509 ( -0.485 -3.205 8.375) 8.980 6.529 ( -2.152 -1.490 8.893) 9.270 6.681 ( 2.147 -2.251 9.230) 9.740 6.744 ( -0.073 -2.925 9.901) 10.325 6.907 ( 0.225 0.156 15.300) 15.303 6.943 ( -1.335 -0.905 13.360) 13.456 7.090 ( 0.048 -2.317 13.175) 13.377 7.108 ( -1.531 -4.666 12.202) 13.153 7.939 ( 3.120 1.401 -0.200) 3.426 8.049 ( -1.189 0.191 -1.972) 2.311 8.149 ( -0.823 -0.764 2.162) 2.436 8.205 ( -2.106 -1.701 0.244) 2.718 8.594 ( 0.378 1.166 0.619) 1.373 8.597 ( 0.281 2.374 1.045) 2.609 8.742 ( 1.056 1.316 1.442) 2.219 8.781 ( -0.624 0.187 1.523) 1.656 8.794 ( 0.646 2.381 2.814) 3.743 8.849 ( -1.901 0.289 1.371) 2.362 9.004 ( 0.726 -1.760 -0.602) 1.997 9.058 ( -1.538 -2.854 0.528) 3.285 9.090 ( 1.998 -1.766 5.072) 5.731 9.141 ( 0.001 -0.811 2.758) 2.875 9.251 ( 1.456 5.590 -1.337) 5.929 9.317 ( 2.297 1.549 0.841) 2.895 9.363 ( -2.731 -1.222 -1.109) 3.191 9.426 ( -2.468 2.758 -4.425) 5.768 9.777 ( 4.025 -2.920 1.658) 5.241 9.996 ( -6.617 -11.505 0.594) 13.285 10.696 ( 0.975 -5.328 0.916) 5.493 10.756 ( -0.899 -6.549 1.068) 6.696 10.874 ( 0.803 -6.909 0.646) 6.985 10.929 ( -1.025 -6.966 0.252) 7.046 11.198 ( -0.564 6.039 0.748) 6.112 11.199 ( -0.623 5.829 0.538) 5.887 11.277 ( 1.388 0.744 0.228) 1.591 11.322 ( -0.163 -2.076 -0.473) 2.136 11.349 ( 0.144 8.154 -0.892) 8.203 11.436 ( -4.511 8.980 0.543) 10.064 11.649 ( 0.734 -0.725 -0.305) 1.075 11.678 ( 0.040 -2.307 -0.567) 2.376 11.694 ( 5.091 0.198 -2.806) 5.817 11.816 ( 3.437 -0.352 -0.084) 3.456 11.983 ( -1.635 -2.062 -1.227) 2.903 12.018 ( -1.706 -1.198 -1.724) 2.705 12.393 ( 5.763 5.485 -5.730) 9.804 12.622 ( 1.935 1.678 -5.280) 5.868 12.721 ( 0.578 -0.493 0.163) 0.777 12.906 ( 0.687 2.086 5.860) 6.258 12.917 ( -1.233 -0.354 3.739) 3.954 13.015 ( -4.674 -1.608 0.891) 5.022 13.239 ( 1.517 4.742 4.771) 6.896 13.349 ( -4.143 -1.551 4.380) 6.226 13.554 ( 3.130 0.205 6.189) 6.939 13.612 ( 0.196 4.608 4.734) 6.609 13.727 ( 1.532 6.104 -1.088) 6.387 13.841 ( -2.889 4.013 1.922) 5.305 13.979 ( 6.693 -3.388 4.223) 8.609 14.233 ( -3.832 -2.625 -1.249) 4.810 14.419 ( 0.673 -6.647 1.870) 6.938 14.482 ( -0.640 -6.281 0.580) 6.340 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -11.269 2.608 16.824) 20.417 1.161 ( 11.269 2.608 16.824) 20.417 1.492 ( -8.547 13.055 10.889) 19.028 1.492 ( 8.547 13.055 10.889) 19.028 2.029 ( -6.903 3.435 -13.377) 15.440 2.029 ( 6.903 3.435 -13.377) 15.440 2.323 ( -3.998 11.036 11.273) 16.275 2.323 ( 3.998 11.036 11.273) 16.275 2.593 ( -1.638 0.649 -8.308) 8.493 2.593 ( 1.638 0.649 -8.308) 8.493 2.675 ( -9.571 -1.385 -5.656) 11.204 2.675 ( 9.571 -1.385 -5.656) 11.204 2.905 ( -9.715 3.914 -5.329) 11.752 2.905 ( 9.715 3.914 -5.329) 11.752 3.080 ( -2.025 -3.837 -5.458) 6.972 3.080 ( 2.025 -3.837 -5.458) 6.972 3.316 ( -2.495 -0.604 -3.918) 4.684 3.316 ( 2.495 -0.604 -3.918) 4.684 3.403 ( -3.008 8.547 -7.446) 11.728 3.403 ( 3.008 8.547 -7.446) 11.728 3.666 ( -4.869 1.945 -9.756) 11.076 3.666 ( 4.869 1.945 -9.756) 11.076 3.879 ( -8.675 11.426 -10.859) 17.993 3.879 ( 8.675 11.426 -10.859) 17.993 3.982 ( -7.050 7.320 -8.335) 13.144 3.982 ( 7.050 7.320 -8.335) 13.144 4.333 ( -3.896 -2.190 -4.695) 6.482 4.333 ( 3.896 -2.190 -4.695) 6.482 4.427 ( -9.128 -4.339 -7.416) 12.535 4.427 ( 9.128 -4.339 -7.416) 12.535 4.542 ( -5.038 3.764 -1.508) 6.467 4.542 ( 5.038 3.764 -1.508) 6.467 4.756 ( -0.987 0.317 -9.257) 9.315 4.756 ( 0.987 0.317 -9.257) 9.315 4.914 ( -3.056 3.944 -10.968) 12.049 4.914 ( 3.056 3.944 -10.968) 12.049 5.320 ( -2.854 -1.723 -5.268) 6.235 5.320 ( 2.854 -1.723 -5.268) 6.235 5.459 ( -5.489 -5.528 -8.159) 11.280 5.459 ( 5.489 -5.528 -8.159) 11.280 5.914 ( -2.607 -8.031 10.187) 13.231 5.914 ( 2.607 -8.031 10.187) 13.231 6.031 ( -1.453 -4.127 9.183) 10.172 6.031 ( 1.453 -4.127 9.183) 10.172 6.172 ( -3.749 -4.232 3.716) 6.765 6.172 ( 3.749 -4.232 3.716) 6.765 6.246 ( -4.443 -2.304 5.547) 7.471 6.246 ( 4.443 -2.304 5.547) 7.471 6.499 ( -0.550 -1.416 9.105) 9.231 6.499 ( 0.550 -1.416 9.105) 9.231 6.725 ( -2.161 -2.614 9.397) 9.991 6.725 ( 2.161 -2.614 9.397) 9.991 6.917 ( -1.139 -0.555 14.929) 14.983 6.917 ( 1.139 -0.555 14.929) 14.983 7.092 ( -0.354 -2.623 12.822) 13.092 7.092 ( 0.354 -2.623 12.822) 13.092 8.004 ( -3.729 1.478 -1.583) 4.312 8.004 ( 3.729 1.478 -1.583) 4.312 8.162 ( -2.177 -1.482 0.948) 2.799 8.162 ( 2.177 -1.482 0.948) 2.799 8.599 ( -0.097 1.954 0.875) 2.143 8.599 ( 0.097 1.954 0.875) 2.143 8.764 ( -1.276 -0.035 1.136) 1.709 8.764 ( 1.276 -0.035 1.136) 1.709 8.814 ( -1.690 2.120 2.332) 3.576 8.814 ( 1.690 2.120 2.332) 3.576 9.026 ( -1.729 -2.571 -0.308) 3.113 9.026 ( 1.729 -2.571 -0.308) 3.113 9.126 ( -1.707 -1.329 4.243) 4.763 9.126 ( 1.707 -1.329 4.243) 4.763 9.297 ( -3.517 3.412 -1.207) 5.047 9.297 ( 3.517 3.412 -1.207) 5.047 9.374 ( -3.239 1.328 -1.227) 3.710 9.374 ( 3.239 1.328 -1.227) 3.710 9.873 ( -6.650 -6.147 1.771) 9.227 9.873 ( 6.650 -6.147 1.771) 9.227 10.725 ( -2.134 -5.508 1.351) 6.059 10.725 ( 2.134 -5.508 1.351) 6.059 10.902 ( -1.878 -7.238 0.302) 7.484 10.902 ( 1.878 -7.238 0.302) 7.484 11.192 ( -0.037 5.764 0.693) 5.806 11.192 ( 0.037 5.764 0.693) 5.806 11.305 ( -1.578 -0.921 -0.092) 1.829 11.305 ( 1.578 -0.921 -0.092) 1.829 11.372 ( -2.441 8.973 0.200) 9.301 11.372 ( 2.441 8.973 0.200) 9.301 11.666 ( -1.020 -1.473 -0.525) 1.866 11.666 ( 1.020 -1.473 -0.525) 1.866 11.798 ( -4.945 0.677 -3.523) 6.109 11.798 ( 4.945 0.677 -3.523) 6.109 11.984 ( -1.740 -2.769 -0.775) 3.361 11.984 ( 1.740 -2.769 -0.775) 3.361 12.525 ( -8.399 4.459 -2.601) 9.859 12.525 ( 8.399 4.459 -2.601) 9.859 12.840 ( -7.674 -3.513 -3.282) 9.056 12.840 ( 7.674 -3.513 -3.282) 9.056 12.939 ( -2.829 1.517 5.486) 6.356 12.939 ( 2.829 1.517 5.486) 6.356 13.281 ( -3.270 1.943 4.732) 6.071 13.281 ( 3.270 1.943 4.732) 6.071 13.599 ( -1.756 2.471 4.499) 5.425 13.599 ( 1.756 2.471 4.499) 5.425 13.776 ( -3.824 4.577 1.431) 6.133 13.776 ( 3.824 4.577 1.431) 6.133 14.119 ( -8.167 -3.402 2.535) 9.204 14.119 ( 8.167 -3.402 2.535) 9.204 14.453 ( -2.394 -6.421 -0.428) 6.867 14.453 ( 2.394 -6.421 -0.428) 6.867 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 9.300 19.123) 21.264 1.425 ( 0.000 17.049 13.791) 21.929 1.700 ( 0.000 9.042 7.113) 11.505 1.707 ( 0.000 0.853 -1.493) 1.720 1.850 ( 0.000 -7.095 -5.275) 8.841 2.284 ( 0.000 -5.075 -15.587) 16.392 2.350 ( 0.000 -4.220 1.014) 4.340 2.429 ( 0.000 -15.801 -11.480) 19.531 2.534 ( 0.000 8.112 2.144) 8.391 2.613 ( 0.000 13.175 -1.054) 13.217 2.623 ( 0.000 18.948 -1.418) 19.001 2.795 ( 0.000 1.217 -9.288) 9.367 2.826 ( 0.000 -4.943 1.696) 5.226 2.953 ( 0.000 7.482 -4.190) 8.575 3.155 ( 0.000 4.606 -9.398) 10.465 3.265 ( 0.000 4.673 -15.843) 16.517 3.427 ( 0.000 8.604 -5.527) 10.226 3.432 ( 0.000 11.645 -0.757) 11.669 3.484 ( 0.000 9.821 -3.863) 10.554 3.688 ( 0.000 3.840 -14.502) 15.002 3.810 ( 0.000 -5.173 -11.780) 12.866 3.941 ( 0.000 8.680 -9.089) 12.567 3.959 ( 0.000 0.062 -14.711) 14.711 3.981 ( 0.000 2.550 -9.611) 9.943 4.035 ( 0.000 6.984 -6.374) 9.455 4.099 ( 0.000 9.770 -0.604) 9.788 4.264 ( 0.000 1.278 -6.672) 6.793 4.357 ( 0.000 -8.919 -6.333) 10.938 4.424 ( 0.000 -11.049 -3.536) 11.601 4.488 ( 0.000 5.880 -10.370) 11.921 4.623 ( 0.000 4.261 7.417) 8.553 4.674 ( 0.000 1.768 -3.768) 4.162 4.876 ( 0.000 7.887 -11.007) 13.541 4.908 ( 0.000 2.561 -5.707) 6.256 4.942 ( 0.000 -3.493 -5.175) 6.244 4.975 ( 0.000 4.077 -10.746) 11.493 5.071 ( 0.000 4.294 0.847) 4.377 5.165 ( 0.000 -0.739 0.207) 0.768 5.268 ( 0.000 -2.209 -6.909) 7.254 5.367 ( 0.000 -9.942 -0.868) 9.980 5.631 ( 0.000 -11.305 4.466) 12.156 5.765 ( 0.000 -5.862 -2.412) 6.339 5.913 ( 0.000 -8.045 7.652) 11.103 5.993 ( 0.000 -5.819 -2.514) 6.339 6.047 ( 0.000 -0.664 2.608) 2.691 6.143 ( 0.000 -1.833 4.312) 4.685 6.146 ( 0.000 -3.807 4.686) 6.038 6.242 ( 0.000 -9.032 2.973) 9.508 6.474 ( 0.000 1.107 15.386) 15.426 6.529 ( 0.000 0.797 10.407) 10.437 6.603 ( 0.000 -3.095 13.609) 13.957 6.676 ( 0.000 -3.207 14.608) 14.956 6.904 ( 0.000 -0.161 13.381) 13.382 6.944 ( 0.000 -0.762 12.254) 12.278 6.995 ( 0.000 -4.293 13.648) 14.307 7.021 ( 0.000 -3.653 13.364) 13.854 7.946 ( 0.000 1.944 0.669) 2.056 8.028 ( 0.000 -1.687 -0.307) 1.715 8.156 ( 0.000 -0.017 1.953) 1.953 8.192 ( 0.000 -1.312 0.742) 1.507 8.625 ( 0.000 2.270 -0.199) 2.278 8.652 ( 0.000 2.478 0.595) 2.548 8.761 ( 0.000 0.784 0.328) 0.850 8.778 ( 0.000 -1.135 -0.541) 1.257 8.849 ( 0.000 2.688 3.966) 4.791 8.872 ( 0.000 1.751 3.218) 3.663 8.974 ( 0.000 -2.500 4.754) 5.372 9.009 ( 0.000 -3.196 4.109) 5.206 9.067 ( 0.000 2.259 0.595) 2.336 9.145 ( 0.000 1.367 -0.079) 1.369 9.243 ( 0.000 -3.324 1.094) 3.499 9.312 ( 0.000 -2.998 -1.073) 3.184 9.406 ( 0.000 6.357 -2.476) 6.822 9.533 ( 0.000 3.746 -6.248) 7.285 9.691 ( 0.000 -2.527 -1.548) 2.963 9.773 ( 0.000 -10.753 -1.666) 10.881 10.618 ( 0.000 -1.521 0.145) 1.528 10.647 ( 0.000 -3.064 -0.095) 3.066 10.756 ( 0.000 -3.794 0.366) 3.811 10.805 ( 0.000 -5.383 -0.147) 5.385 11.265 ( 0.000 0.394 -0.182) 0.434 11.275 ( 0.000 -0.716 0.004) 0.716 11.291 ( 0.000 1.312 0.041) 1.313 11.298 ( 0.000 1.323 -0.315) 1.360 11.498 ( 0.000 4.968 -0.858) 5.041 11.588 ( 0.000 -0.067 -1.730) 1.731 11.636 ( 0.000 0.316 -0.760) 0.823 11.641 ( 0.000 0.248 0.156) 0.293 11.676 ( 0.000 1.857 1.882) 2.644 11.736 ( 0.000 -0.557 1.758) 1.844 11.983 ( 0.000 -0.624 -2.003) 2.098 12.016 ( 0.000 -1.270 -2.758) 3.036 12.473 ( 0.000 5.374 -6.147) 8.165 12.568 ( 0.000 -0.009 -6.020) 6.020 12.797 ( 0.000 2.111 1.038) 2.352 12.894 ( 0.000 -2.532 2.202) 3.356 13.008 ( 0.000 7.101 6.194) 9.423 13.097 ( 0.000 4.975 5.369) 7.319 13.290 ( 0.000 -5.316 5.576) 7.704 13.291 ( 0.000 -0.124 6.245) 6.246 13.527 ( 0.000 1.645 9.155) 9.302 13.733 ( 0.000 -5.837 7.263) 9.318 13.746 ( 0.000 5.440 7.165) 8.996 13.920 ( 0.000 7.168 -5.345) 8.941 13.950 ( 0.000 -0.142 5.038) 5.040 14.211 ( 0.000 -3.101 -6.249) 6.976 14.267 ( 0.000 -5.123 1.318) 5.289 14.334 ( 0.000 -6.564 0.178) 6.567 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 2.131 12.583 16.485) 20.848 1.482 ( -3.313 11.691 4.234) 12.868 1.602 ( 1.661 7.338 12.529) 14.615 1.761 ( 0.404 4.064 2.775) 4.938 1.906 ( 5.990 -5.558 -5.968) 10.119 2.207 ( -7.664 -0.148 -13.204) 15.268 2.354 ( -0.474 -6.900 -3.253) 7.643 2.396 ( -1.592 -13.882 -1.308) 14.034 2.588 ( 4.902 14.855 4.490) 16.275 2.657 ( 7.136 3.182 -14.944) 16.863 2.701 ( 3.757 16.071 1.969) 16.621 2.780 ( 0.104 2.286 -6.436) 6.831 2.881 ( 4.283 -4.219 -0.776) 6.062 2.939 ( -0.941 6.536 -4.187) 7.819 3.119 ( -3.962 3.443 -8.129) 9.676 3.203 ( -6.561 3.822 -13.527) 15.513 3.331 ( -2.894 8.423 -1.948) 9.117 3.462 ( -3.232 7.573 -5.679) 10.002 3.554 ( 6.948 13.455 -3.871) 15.630 3.647 ( -2.255 5.589 -13.465) 14.752 3.810 ( -7.017 3.950 -7.920) 11.295 3.886 ( 5.005 -2.856 -15.056) 16.121 3.896 ( -6.179 1.192 -6.592) 9.114 4.042 ( 3.029 6.662 -10.679) 12.946 4.059 ( 1.345 3.247 -9.539) 10.165 4.168 ( 1.578 6.657 -5.897) 9.032 4.273 ( 4.163 2.883 -3.288) 6.038 4.307 ( -2.959 -4.460 -9.587) 10.980 4.355 ( -4.681 -6.302 -0.674) 7.879 4.504 ( -1.689 1.490 -6.610) 6.983 4.555 ( -0.456 9.404 -0.759) 9.446 4.701 ( -2.355 1.378 -2.229) 3.523 4.869 ( -1.481 7.169 -6.809) 9.998 4.913 ( -3.135 3.666 -5.013) 6.957 4.939 ( 1.390 5.030 -7.206) 8.898 4.984 ( 1.437 3.799 -10.820) 11.558 5.091 ( 6.023 -7.309 -1.722) 9.626 5.231 ( 3.860 -2.031 -2.297) 4.930 5.302 ( 2.823 -3.660 -4.197) 6.243 5.358 ( -0.919 -9.003 -0.484) 9.062 5.653 ( 2.366 -10.971 3.719) 11.823 5.754 ( -1.114 -6.043 -1.019) 6.229 5.872 ( -3.198 -9.959 6.835) 12.495 5.939 ( -4.714 -7.281 -0.219) 8.677 6.069 ( 1.525 -1.078 3.573) 4.032 6.142 ( -0.917 -2.692 4.359) 5.205 6.148 ( 0.788 -2.883 3.692) 4.751 6.206 ( -3.084 -6.979 3.629) 8.449 6.481 ( 0.688 1.250 14.338) 14.408 6.519 ( -1.022 1.198 11.318) 11.427 6.620 ( 1.732 -3.319 13.765) 14.265 6.676 ( -0.385 -3.574 13.993) 14.447 6.905 ( 0.157 -0.051 13.689) 13.690 6.931 ( -0.974 0.024 13.035) 13.071 7.007 ( 0.916 -3.991 12.960) 13.591 7.022 ( 0.030 -3.687 13.152) 13.659 7.976 ( 3.253 1.933 0.112) 3.785 8.044 ( 1.632 -0.792 -0.619) 1.916 8.137 ( -2.024 -0.174 1.492) 2.521 8.171 ( -2.334 -1.425 0.530) 2.786 8.635 ( 1.021 2.464 -0.060) 2.668 8.657 ( 0.349 2.769 0.534) 2.841 8.759 ( -0.218 0.227 0.341) 0.464 8.768 ( -0.968 -1.309 -0.203) 1.641 8.850 ( 0.207 2.465 3.670) 4.426 8.867 ( -0.512 1.923 3.237) 3.800 8.978 ( 0.378 -2.313 3.892) 4.543 9.002 ( -0.749 -2.892 3.645) 4.713 9.082 ( 1.705 2.020 1.235) 2.917 9.143 ( -0.577 1.561 0.383) 1.708 9.247 ( 0.775 -3.333 0.753) 3.504 9.302 ( -1.199 -3.347 -0.789) 3.642 9.427 ( 2.255 6.470 -2.694) 7.362 9.518 ( -1.698 4.524 -5.332) 7.196 9.702 ( 1.183 -3.698 -1.642) 4.216 9.759 ( -1.427 -9.471 -1.626) 9.715 10.623 ( 0.954 -1.309 0.311) 1.649 10.663 ( 0.811 -2.353 0.049) 2.489 10.747 ( -0.399 -4.502 0.331) 4.532 10.793 ( -1.335 -5.485 -0.059) 5.646 11.262 ( -0.230 0.474 -0.069) 0.531 11.269 ( -0.558 -0.012 0.049) 0.560 11.290 ( -0.065 0.888 0.224) 0.918 11.295 ( -0.307 0.871 -0.188) 0.943 11.504 ( 0.927 5.043 -0.734) 5.180 11.574 ( -2.259 3.007 -0.285) 3.772 11.616 ( 0.219 -1.520 -0.157) 1.544 11.641 ( -0.490 -0.905 -0.491) 1.141 11.727 ( 5.529 2.553 -0.355) 6.100 11.806 ( 5.116 -0.663 0.316) 5.169 11.949 ( -3.473 -0.715 -1.744) 3.951 11.989 ( -2.935 -1.516 -2.166) 3.951 12.513 ( 4.507 4.932 -5.076) 8.391 12.626 ( 5.899 -0.968 -5.455) 8.093 12.747 ( -5.259 2.390 0.240) 5.782 12.864 ( -3.815 -3.269 0.006) 5.024 13.014 ( 0.730 6.906 6.478) 9.496 13.070 ( -2.322 5.620 6.255) 8.724 13.276 ( -1.102 -1.254 6.169) 6.391 13.279 ( -0.991 -4.261 6.018) 7.440 13.577 ( 4.903 2.172 8.599) 10.134 13.721 ( -1.839 3.897 7.747) 8.865 13.785 ( 3.749 -2.853 5.529) 7.264 13.917 ( -2.943 0.946 2.686) 4.095 13.958 ( 3.993 4.157 -1.344) 5.919 14.178 ( -4.696 -1.351 -2.182) 5.352 14.263 ( 0.995 -6.767 -1.693) 7.046 14.327 ( -1.085 -6.918 -0.948) 7.067 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -9.440 12.100 9.416) 18.005 1.321 ( 9.440 12.100 9.416) 18.005 1.712 ( -5.736 5.136 7.179) 10.527 1.712 ( 5.736 5.136 7.179) 10.527 2.048 ( -9.432 -0.992 -8.060) 12.446 2.048 ( 9.432 -0.992 -8.060) 12.446 2.363 ( -1.591 -9.720 -3.067) 10.316 2.363 ( 1.591 -9.720 -3.067) 10.316 2.698 ( -4.779 11.544 0.660) 12.512 2.698 ( 4.779 11.544 0.660) 12.512 2.760 ( -3.688 6.005 -9.040) 11.462 2.760 ( 3.688 6.005 -9.040) 11.462 2.945 ( -1.332 -0.496 -2.731) 3.079 2.945 ( 1.332 -0.496 -2.731) 3.079 3.080 ( -4.023 2.583 -7.089) 8.551 3.080 ( 4.023 2.583 -7.089) 8.551 3.365 ( -5.900 6.650 -6.883) 11.243 3.365 ( 5.900 6.650 -6.883) 11.243 3.636 ( -2.328 11.876 -8.026) 14.522 3.636 ( 2.328 11.876 -8.026) 14.522 3.767 ( -5.246 5.601 -4.314) 8.804 3.767 ( 5.246 5.601 -4.314) 8.804 4.002 ( -5.883 -6.141 -15.434) 17.622 4.002 ( 5.883 -6.141 -15.434) 17.622 4.120 ( -4.514 7.609 -9.783) 13.190 4.120 ( 4.514 7.609 -9.783) 13.190 4.296 ( -1.932 -3.584 -4.419) 6.009 4.296 ( 1.932 -3.584 -4.419) 6.009 4.414 ( -7.594 6.996 -2.087) 10.534 4.414 ( 7.594 6.996 -2.087) 10.534 4.612 ( -5.517 3.976 -3.394) 7.600 4.612 ( 5.517 3.976 -3.394) 7.600 4.863 ( -1.205 7.667 -4.986) 9.224 4.863 ( 1.205 7.667 -4.986) 9.224 4.976 ( -1.807 2.474 -10.525) 10.962 4.976 ( 1.807 2.474 -10.525) 10.962 5.220 ( -5.691 -8.156 -1.934) 10.132 5.220 ( 5.691 -8.156 -1.934) 10.132 5.340 ( -1.238 -4.683 -2.766) 5.578 5.340 ( 1.238 -4.683 -2.766) 5.578 5.711 ( -3.762 -8.949 3.199) 10.221 5.711 ( 3.762 -8.949 3.199) 10.221 5.863 ( -2.798 -10.216 2.645) 10.917 5.863 ( 2.798 -10.216 2.645) 10.917 6.105 ( -2.649 -1.777 4.482) 5.501 6.105 ( 2.649 -1.777 4.482) 5.501 6.167 ( -1.329 -4.172 3.607) 5.673 6.167 ( 1.329 -4.172 3.607) 5.673 6.498 ( -1.218 1.738 12.863) 13.037 6.498 ( 1.218 1.738 12.863) 13.037 6.654 ( -1.890 -3.813 13.802) 14.443 6.654 ( 1.890 -3.813 13.802) 14.443 6.914 ( -0.874 0.497 13.567) 13.605 6.914 ( 0.874 0.497 13.567) 13.605 7.019 ( -0.377 -3.792 12.842) 13.396 7.019 ( 0.377 -3.792 12.842) 13.396 8.042 ( -3.174 1.922 -0.829) 3.802 8.042 ( 3.174 1.922 -0.829) 3.802 8.125 ( -2.015 -1.867 0.839) 2.872 8.125 ( 2.015 -1.867 0.839) 2.872 8.654 ( -0.852 2.973 0.215) 3.100 8.654 ( 0.852 2.973 0.215) 3.100 8.756 ( -0.131 -1.028 0.282) 1.074 8.756 ( 0.131 -1.028 0.282) 1.074 8.857 ( -0.552 2.199 3.326) 4.025 8.857 ( 0.552 2.199 3.326) 4.025 8.987 ( -0.717 -2.340 3.217) 4.042 8.987 ( 0.717 -2.340 3.217) 4.042 9.118 ( -2.065 1.668 1.334) 2.970 9.118 ( 2.065 1.668 1.334) 2.970 9.273 ( -1.879 -3.332 -0.133) 3.828 9.273 ( 1.879 -3.332 -0.133) 3.828 9.476 ( -2.909 5.813 -3.660) 7.460 9.476 ( 2.909 5.813 -3.660) 7.460 9.730 ( -1.769 -6.519 -1.665) 6.957 9.730 ( 1.769 -6.519 -1.665) 6.957 10.651 ( -1.796 -1.194 0.420) 2.197 10.651 ( 1.796 -1.194 0.420) 2.197 10.762 ( -1.823 -5.585 0.067) 5.876 10.762 ( 1.823 -5.585 0.067) 5.876 11.261 ( -0.212 0.499 0.103) 0.552 11.261 ( 0.212 0.499 0.103) 0.552 11.291 ( -0.146 0.554 0.104) 0.582 11.291 ( 0.146 0.554 0.104) 0.582 11.532 ( -2.133 4.795 -0.173) 5.251 11.532 ( 2.133 4.795 -0.173) 5.251 11.629 ( -0.903 -1.622 -0.717) 1.990 11.629 ( 0.903 -1.622 -0.717) 1.990 11.828 ( -4.636 2.096 -1.817) 5.403 11.828 ( 4.636 2.096 -1.817) 5.403 11.927 ( -3.161 -2.400 -0.700) 4.030 11.927 ( 3.161 -2.400 -0.700) 4.030 12.621 ( -7.155 4.067 -2.797) 8.693 12.621 ( 7.155 4.067 -2.797) 8.693 12.760 ( -7.314 -3.304 -2.884) 8.528 12.760 ( 7.314 -3.304 -2.884) 8.528 13.035 ( -1.587 6.383 6.823) 9.477 13.035 ( 1.587 6.383 6.823) 9.477 13.267 ( -0.167 -2.768 6.200) 6.792 13.267 ( 0.167 -2.768 6.200) 6.792 13.666 ( -4.405 3.408 7.866) 9.638 13.666 ( 4.405 3.408 7.866) 9.638 13.852 ( -3.864 -0.292 4.038) 5.597 13.852 ( 3.864 -0.292 4.038) 5.597 14.065 ( -7.250 0.636 -0.316) 7.285 14.065 ( 7.250 0.636 -0.316) 7.285 14.296 ( -2.170 -7.258 -2.385) 7.942 14.296 ( 2.170 -7.258 -2.385) 7.942 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 -12.254 6.234) 13.748 1.474 ( 0.000 12.254 6.234) 13.748 1.782 ( 0.000 -2.425 2.777) 3.687 1.782 ( 0.000 2.425 2.777) 3.687 1.979 ( 0.000 -20.071 7.781) 21.526 1.979 ( 0.000 20.071 7.781) 21.526 2.253 ( 0.000 -3.878 -14.832) 15.331 2.253 ( 0.000 3.878 -14.832) 15.331 2.684 ( 0.000 -6.489 -0.724) 6.530 2.684 ( 0.000 6.489 -0.724) 6.530 2.775 ( 0.000 -2.531 -13.278) 13.517 2.775 ( 0.000 2.531 -13.278) 13.517 3.008 ( 0.000 -9.706 3.194) 10.218 3.008 ( 0.000 9.706 3.194) 10.218 3.237 ( 0.000 -4.391 -12.573) 13.318 3.237 ( 0.000 4.391 -12.573) 13.318 3.576 ( 0.000 -6.452 -3.808) 7.491 3.576 ( 0.000 6.452 -3.808) 7.491 3.673 ( 0.000 -2.522 -14.645) 14.860 3.673 ( 0.000 2.522 -14.645) 14.860 3.852 ( 0.000 -12.776 -11.348) 17.088 3.852 ( 0.000 12.776 -11.348) 17.088 4.040 ( 0.000 -3.298 -1.909) 3.811 4.040 ( 0.000 3.298 -1.909) 3.811 4.136 ( 0.000 -8.529 -6.285) 10.594 4.136 ( 0.000 8.529 -6.285) 10.594 4.280 ( 0.000 -0.647 -5.382) 5.421 4.280 ( 0.000 0.647 -5.382) 5.421 4.423 ( 0.000 -14.217 -1.836) 14.335 4.423 ( 0.000 14.217 -1.836) 14.335 4.641 ( 0.000 -3.938 -9.802) 10.564 4.641 ( 0.000 3.938 -9.802) 10.564 4.947 ( 0.000 -2.171 -9.226) 9.478 4.947 ( 0.000 2.171 -9.226) 9.478 5.074 ( 0.000 -4.349 5.341) 6.888 5.074 ( 0.000 4.349 5.341) 6.888 5.143 ( 0.000 -5.818 -4.671) 7.461 5.143 ( 0.000 5.818 -4.671) 7.461 5.195 ( 0.000 -4.320 -0.021) 4.320 5.195 ( 0.000 4.320 -0.021) 4.320 5.570 ( 0.000 -7.845 -0.608) 7.869 5.570 ( 0.000 7.845 -0.608) 7.869 5.863 ( 0.000 -3.871 -1.518) 4.158 5.863 ( 0.000 3.871 -1.518) 4.158 6.074 ( 0.000 -2.842 2.878) 4.045 6.074 ( 0.000 2.842 2.878) 4.045 6.125 ( 0.000 -1.287 2.916) 3.187 6.125 ( 0.000 1.287 2.916) 3.187 6.529 ( 0.000 -3.455 16.847) 17.198 6.529 ( 0.000 3.455 16.847) 17.198 6.590 ( 0.000 -4.278 13.852) 14.498 6.590 ( 0.000 4.278 13.852) 14.498 6.918 ( 0.000 -1.561 12.497) 12.594 6.918 ( 0.000 1.561 12.497) 12.594 6.962 ( 0.000 -0.877 13.106) 13.135 6.962 ( 0.000 0.877 13.106) 13.135 7.988 ( 0.000 -1.925 0.358) 1.958 7.988 ( 0.000 1.925 0.358) 1.958 8.167 ( 0.000 -0.950 1.334) 1.638 8.167 ( 0.000 0.950 1.334) 1.638 8.670 ( 0.000 -1.193 0.016) 1.193 8.670 ( 0.000 1.193 0.016) 1.193 8.766 ( 0.000 -0.107 -0.748) 0.755 8.766 ( 0.000 0.107 -0.748) 0.755 8.905 ( 0.000 -2.480 4.510) 5.147 8.905 ( 0.000 2.480 4.510) 5.147 8.936 ( 0.000 -2.955 4.545) 5.421 8.936 ( 0.000 2.955 4.545) 5.421 9.135 ( 0.000 -3.235 0.196) 3.241 9.135 ( 0.000 3.235 0.196) 3.241 9.234 ( 0.000 -3.249 -0.641) 3.312 9.234 ( 0.000 3.249 -0.641) 3.312 9.547 ( 0.000 -5.407 -4.256) 6.881 9.547 ( 0.000 5.407 -4.256) 6.881 9.642 ( 0.000 -0.907 -3.386) 3.505 9.642 ( 0.000 0.907 -3.386) 3.505 10.611 ( 0.000 -0.575 0.121) 0.587 10.611 ( 0.000 0.575 0.121) 0.587 10.726 ( 0.000 -1.355 -0.010) 1.355 10.726 ( 0.000 1.355 -0.010) 1.355 11.277 ( 0.000 -0.365 -0.201) 0.416 11.277 ( 0.000 0.365 -0.201) 0.416 11.295 ( 0.000 -0.730 -0.764) 1.057 11.295 ( 0.000 0.730 -0.764) 1.057 11.563 ( 0.000 -1.590 -0.497) 1.666 11.563 ( 0.000 1.590 -0.497) 1.666 11.646 ( 0.000 -0.022 -0.484) 0.484 11.646 ( 0.000 0.022 -0.484) 0.484 11.716 ( 0.000 -1.473 1.674) 2.230 11.716 ( 0.000 1.473 1.674) 2.230 11.988 ( 0.000 -1.045 -2.624) 2.825 11.988 ( 0.000 1.045 -2.624) 2.825 12.551 ( 0.000 -1.934 -5.404) 5.739 12.551 ( 0.000 1.934 -5.404) 5.739 12.843 ( 0.000 -2.166 1.195) 2.474 12.843 ( 0.000 2.166 1.195) 2.474 13.164 ( 0.000 -6.672 6.158) 9.079 13.164 ( 0.000 6.672 6.158) 9.079 13.224 ( 0.000 -5.513 6.699) 8.675 13.224 ( 0.000 5.513 6.699) 8.675 13.601 ( 0.000 -5.240 9.265) 10.644 13.601 ( 0.000 5.240 9.265) 10.644 13.863 ( 0.000 -5.837 8.212) 10.075 13.863 ( 0.000 5.837 8.212) 10.075 14.087 ( 0.000 -7.614 -5.304) 9.279 14.087 ( 0.000 7.614 -5.304) 9.279 14.248 ( 0.000 -1.955 -2.242) 2.975 14.248 ( 0.000 1.955 -2.242) 2.975 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 4.189 -13.042 4.936) 14.561 1.511 ( 4.189 13.042 4.936) 14.561 1.731 ( -5.588 -7.662 1.538) 9.607 1.731 ( -5.588 7.662 1.538) 9.607 2.026 ( 5.195 -16.503 6.069) 18.335 2.026 ( 5.195 16.503 6.069) 18.335 2.229 ( -3.046 -4.193 -8.525) 9.977 2.229 ( -3.046 4.193 -8.525) 9.977 2.741 ( 4.965 -3.537 -4.100) 7.346 2.741 ( 4.965 3.537 -4.100) 7.346 2.786 ( 2.340 -3.738 -8.196) 9.308 2.786 ( 2.340 3.738 -8.196) 9.308 3.003 ( -0.579 -6.909 -3.430) 7.736 3.003 ( -0.579 6.909 -3.430) 7.736 3.179 ( -6.561 -3.080 -10.247) 12.551 3.179 ( -6.561 3.080 -10.247) 12.551 3.573 ( 0.371 -10.547 -4.269) 11.384 3.573 ( 0.371 10.547 -4.269) 11.384 3.668 ( -1.712 -9.710 -14.594) 17.612 3.668 ( -1.712 9.710 -14.594) 17.612 3.854 ( 1.345 -6.560 -7.838) 10.309 3.854 ( 1.345 6.560 -7.838) 10.309 3.983 ( -4.356 -2.949 -3.271) 6.195 3.983 ( -4.356 2.949 -3.271) 6.195 4.166 ( 2.187 -5.566 -7.899) 9.907 4.166 ( 2.187 5.566 -7.899) 9.907 4.249 ( -2.699 -1.749 -6.976) 7.682 4.249 ( -2.699 1.749 -6.976) 7.682 4.490 ( 6.308 -10.987 -2.178) 12.855 4.490 ( 6.308 10.987 -2.178) 12.855 4.652 ( -0.180 -4.195 -8.396) 9.388 4.652 ( -0.180 4.195 -8.396) 9.388 4.967 ( 2.240 -1.226 -7.046) 7.494 4.967 ( 2.240 1.226 -7.046) 7.494 5.056 ( -1.790 -7.109 2.521) 7.752 5.056 ( -1.790 7.109 2.521) 7.752 5.148 ( 0.248 -10.298 -3.372) 10.838 5.148 ( 0.248 10.298 -3.372) 10.838 5.183 ( -0.982 -5.165 0.610) 5.293 5.183 ( -0.982 5.165 0.610) 5.293 5.588 ( 2.437 -6.918 -1.005) 7.404 5.588 ( 2.437 6.918 -1.005) 7.404 5.795 ( -6.730 -4.125 -1.453) 8.026 5.795 ( -6.730 4.125 -1.453) 8.026 6.084 ( 0.856 -2.360 3.236) 4.096 6.084 ( 0.856 2.360 3.236) 4.096 6.118 ( -0.770 -0.742 3.054) 3.236 6.118 ( -0.770 0.742 3.054) 3.236 6.540 ( 1.198 -3.447 16.254) 16.659 6.540 ( 1.198 3.447 16.254) 16.659 6.587 ( -0.630 -4.148 14.198) 14.805 6.587 ( -0.630 4.148 14.198) 14.805 6.927 ( 0.965 -1.730 12.633) 12.787 6.927 ( 0.965 1.730 12.633) 12.787 6.960 ( -0.386 -1.030 12.932) 12.979 6.960 ( -0.386 1.030 12.932) 12.979 8.016 ( 3.043 -1.676 0.145) 3.477 8.016 ( 3.043 1.676 0.145) 3.477 8.145 ( -2.487 -0.878 0.780) 2.751 8.145 ( -2.487 0.878 0.780) 2.751 8.682 ( 1.436 -1.196 0.086) 1.870 8.682 ( 1.436 1.196 0.086) 1.870 8.752 ( -1.542 -0.516 -0.488) 1.697 8.752 ( -1.542 0.516 -0.488) 1.697 8.908 ( 0.372 -2.614 4.283) 5.032 8.908 ( 0.372 2.614 4.283) 5.032 8.931 ( -0.531 -2.844 4.227) 5.122 8.931 ( -0.531 2.844 4.227) 5.122 9.152 ( 1.782 -3.388 0.205) 3.834 9.152 ( 1.782 3.388 0.205) 3.834 9.222 ( -1.380 -3.354 -0.435) 3.653 9.222 ( -1.380 3.354 -0.435) 3.653 9.563 ( 1.706 -4.822 -4.075) 6.540 9.563 ( 1.706 4.822 -4.075) 6.540 9.630 ( -1.284 -1.688 -3.449) 4.049 9.630 ( -1.284 1.688 -3.449) 4.049 10.629 ( 1.865 -1.334 0.169) 2.299 10.629 ( 1.865 1.334 0.169) 2.299 10.710 ( -1.777 -1.569 0.097) 2.373 10.710 ( -1.777 1.569 0.097) 2.373 11.276 ( -0.019 -0.436 -0.188) 0.475 11.276 ( -0.019 0.436 -0.188) 0.475 11.289 ( -0.557 -0.625 -0.554) 1.004 11.289 ( -0.557 0.625 -0.554) 1.004 11.570 ( 0.966 -1.700 -0.541) 2.028 11.570 ( 0.966 1.700 -0.541) 2.028 11.624 ( -1.519 -0.946 -0.099) 1.792 11.624 ( -1.519 0.946 -0.099) 1.792 11.779 ( 5.461 -1.932 0.426) 5.808 11.779 ( 5.461 1.932 0.426) 5.808 11.957 ( -3.387 -1.216 -2.165) 4.200 11.957 ( -3.387 1.216 -2.165) 4.200 12.592 ( 4.449 -2.413 -4.554) 6.809 12.592 ( 4.449 2.413 -4.554) 6.809 12.802 ( -4.562 -2.575 -0.066) 5.239 12.802 ( -4.562 2.575 -0.066) 5.239 13.164 ( 0.138 -6.199 6.432) 8.934 13.164 ( 0.138 6.199 6.432) 8.934 13.201 ( -1.885 -5.361 6.929) 8.962 13.201 ( -1.885 5.361 6.929) 8.962 13.658 ( 5.517 -5.270 8.950) 11.761 13.658 ( 5.517 5.270 8.950) 11.761 13.837 ( -2.973 -5.469 8.260) 10.343 13.837 ( -2.973 5.469 8.260) 10.343 14.104 ( 1.953 -7.296 -4.737) 8.916 14.104 ( 1.953 7.296 -4.737) 8.916 14.218 ( -3.062 -3.387 -2.528) 5.219 14.218 ( -3.062 3.387 -2.528) 5.219 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -6.833 -12.464 2.355) 14.408 1.613 ( 6.688 -12.444 2.355) 14.322 1.613 ( -6.688 12.444 2.355) 14.322 1.613 ( 6.833 12.464 2.355) 14.408 2.139 ( -6.676 -9.401 0.313) 11.535 2.139 ( 6.573 -9.383 0.313) 11.461 2.139 ( -6.573 9.383 0.313) 11.461 2.139 ( 6.676 9.401 0.313) 11.535 2.814 ( -2.140 -2.790 -5.183) 6.263 2.814 ( 1.980 -2.760 -5.183) 6.197 2.814 ( -1.980 2.760 -5.183) 6.197 2.814 ( 2.140 2.790 -5.183) 6.263 3.041 ( -4.296 -5.571 -8.578) 11.093 3.041 ( -1.942 -5.231 -8.578) 10.233 3.041 ( 1.942 5.231 -8.578) 10.233 3.041 ( 4.296 5.571 -8.578) 11.093 3.610 ( -3.617 -13.060 -9.170) 16.363 3.610 ( 3.602 -13.059 -9.170) 16.359 3.610 ( -3.602 13.059 -9.170) 16.359 3.610 ( 3.617 13.060 -9.170) 16.363 3.909 ( -2.529 -5.699 -5.094) 8.052 3.909 ( 0.162 -5.558 -5.094) 7.541 3.909 ( -0.162 5.558 -5.094) 7.541 3.909 ( 2.529 5.699 -5.094) 8.052 4.204 ( -2.222 -3.001 -8.747) 9.511 4.204 ( 1.989 -2.959 -8.747) 9.446 4.204 ( -1.989 2.959 -8.747) 9.446 4.204 ( 2.222 3.001 -8.747) 9.511 4.602 ( -4.334 -7.356 -4.891) 9.840 4.602 ( 2.075 -7.106 -4.891) 8.872 4.602 ( -2.075 7.106 -4.891) 8.872 4.602 ( 4.334 7.356 -4.891) 9.840 5.015 ( -2.494 -7.449 -2.761) 8.326 5.015 ( 2.239 -7.428 -2.761) 8.235 5.015 ( -2.239 7.428 -2.761) 8.235 5.015 ( 2.494 7.449 -2.761) 8.326 5.161 ( -1.271 -10.056 -0.376) 10.144 5.161 ( 1.239 -10.055 -0.376) 10.139 5.161 ( -1.239 10.055 -0.376) 10.139 5.161 ( 1.271 10.056 -0.376) 10.144 5.668 ( -6.324 -5.576 -1.431) 8.551 5.668 ( 4.084 -5.026 -1.431) 6.632 5.668 ( -4.084 5.026 -1.431) 6.632 5.668 ( 6.324 5.576 -1.431) 8.551 6.101 ( -1.017 -1.527 3.360) 3.828 6.101 ( 0.958 -1.518 3.360) 3.809 6.101 ( -0.958 1.518 3.360) 3.809 6.101 ( 1.017 1.527 3.360) 3.828 6.566 ( -1.426 -4.092 15.150) 15.758 6.566 ( 1.313 -4.083 15.150) 15.746 6.566 ( -1.313 4.083 15.150) 15.746 6.566 ( 1.426 4.092 15.150) 15.758 6.947 ( -0.756 -2.558 12.754) 13.030 6.947 ( 0.467 -2.541 12.754) 13.013 6.947 ( -0.467 2.541 12.754) 13.013 6.947 ( 0.756 2.558 12.754) 13.030 8.084 ( -3.729 -1.677 0.090) 4.090 8.084 ( -2.170 -0.715 0.090) 2.287 8.084 ( 2.170 0.715 0.090) 2.287 8.084 ( 3.729 1.677 0.090) 4.090 8.716 ( -1.496 -2.427 -0.034) 2.851 8.716 ( -0.082 -2.309 -0.034) 2.311 8.716 ( 0.082 2.309 -0.034) 2.311 8.716 ( 1.496 2.427 -0.034) 2.851 8.919 ( -0.645 -3.400 3.992) 5.283 8.919 ( 0.580 -3.397 3.992) 5.274 8.919 ( -0.580 3.397 3.992) 5.274 8.919 ( 0.645 3.400 3.992) 5.283 9.189 ( -1.983 -4.060 -0.024) 4.518 9.189 ( 1.629 -4.020 -0.024) 4.337 9.189 ( -1.629 4.020 -0.024) 4.337 9.189 ( 1.983 4.060 -0.024) 4.518 9.599 ( -1.444 -5.662 -3.702) 6.917 9.599 ( 0.923 -5.635 -3.702) 6.805 9.599 ( -0.923 5.635 -3.702) 6.805 9.599 ( 1.444 5.662 -3.702) 6.917 10.670 ( -2.088 -2.690 0.207) 3.412 10.670 ( 0.583 -2.497 0.207) 2.572 10.670 ( -0.583 2.497 0.207) 2.572 10.670 ( 2.088 2.690 0.207) 3.412 11.280 ( -0.221 -1.230 -0.268) 1.278 11.280 ( 0.104 -1.226 -0.268) 1.259 11.280 ( -0.104 1.226 -0.268) 1.259 11.280 ( 0.221 1.230 -0.268) 1.278 11.596 ( -1.583 -1.750 -0.418) 2.397 11.596 ( 0.935 -1.629 -0.418) 1.924 11.596 ( -0.935 1.629 -0.418) 1.924 11.596 ( 1.583 1.750 -0.418) 2.397 11.878 ( -5.008 -2.099 -0.990) 5.520 11.878 ( -2.868 -0.437 -0.990) 3.066 11.878 ( 2.868 0.437 -0.990) 3.066 11.878 ( 5.008 2.099 -0.990) 5.520 12.696 ( -6.725 -2.921 -2.472) 7.738 12.696 ( -4.465 1.487 -2.472) 5.316 12.696 ( 4.465 -1.487 -2.472) 5.316 12.696 ( 6.725 2.921 -2.472) 7.738 13.174 ( -1.020 -5.773 6.856) 9.021 13.174 ( 0.993 -5.772 6.856) 9.017 13.174 ( -0.993 5.772 6.856) 9.017 13.174 ( 1.020 5.773 6.856) 9.021 13.761 ( -5.280 -5.487 8.509) 11.418 13.761 ( 4.183 -5.245 8.509) 10.836 13.761 ( -4.183 5.245 8.509) 10.836 13.761 ( 5.280 5.487 8.509) 11.418 14.155 ( -3.608 -5.904 -3.490) 7.750 14.155 ( 3.511 -5.890 -3.490) 7.694 14.155 ( -3.511 5.890 -3.490) 7.694 14.155 ( 3.608 5.904 -3.490) 7.750 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 0.000 -10.410) 10.410 1.348 ( 0.000 0.000 0.861) 0.861 1.487 ( 0.000 0.000 19.087) 19.087 1.833 ( 0.000 0.000 9.004) 9.004 1.845 ( 0.000 0.000 -3.420) 3.420 2.062 ( 0.000 0.000 -7.785) 7.785 2.105 ( 0.000 0.000 -6.004) 6.004 2.346 ( 0.000 0.000 -7.767) 7.767 2.377 ( 0.000 0.000 -14.200) 14.200 2.486 ( 0.000 0.000 20.420) 20.420 2.495 ( 0.000 0.000 -16.191) 16.191 2.505 ( 0.000 0.000 20.038) 20.038 2.726 ( 0.000 0.000 3.634) 3.634 2.777 ( 0.000 0.000 -10.755) 10.755 2.918 ( 0.000 0.000 -7.022) 7.022 3.070 ( 0.000 0.000 -5.138) 5.138 3.108 ( 0.000 0.000 -12.963) 12.963 3.184 ( 0.000 0.000 -5.289) 5.289 3.211 ( 0.000 0.000 -7.086) 7.086 3.274 ( 0.000 0.000 1.772) 1.772 3.338 ( 0.000 0.000 6.122) 6.122 3.529 ( 0.000 0.000 -12.377) 12.377 3.543 ( 0.000 0.000 -5.763) 5.763 3.782 ( 0.000 0.000 4.359) 4.359 3.912 ( 0.000 0.000 -1.708) 1.708 3.993 ( 0.000 0.000 -3.749) 3.749 4.198 ( 0.000 0.000 7.726) 7.726 4.304 ( 0.000 0.000 -8.892) 8.892 4.312 ( 0.000 0.000 -1.404) 1.404 4.355 ( 0.000 0.000 -2.378) 2.378 4.414 ( 0.000 0.000 -19.409) 19.409 4.556 ( 0.000 0.000 -7.932) 7.932 4.718 ( 0.000 0.000 -10.073) 10.073 4.720 ( 0.000 0.000 1.781) 1.781 4.735 ( 0.000 0.000 -7.337) 7.337 4.833 ( 0.000 0.000 -2.646) 2.646 5.038 ( 0.000 0.000 -3.464) 3.464 5.083 ( 0.000 0.000 -0.493) 0.493 5.225 ( 0.000 0.000 -2.591) 2.591 5.390 ( 0.000 0.000 -9.891) 9.891 6.101 ( 0.000 0.000 1.225) 1.225 6.106 ( 0.000 0.000 3.651) 3.651 6.109 ( 0.000 0.000 2.727) 2.727 6.111 ( 0.000 0.000 -0.760) 0.760 6.258 ( 0.000 0.000 3.641) 3.641 6.321 ( 0.000 0.000 0.534) 0.534 6.379 ( 0.000 0.000 10.460) 10.460 6.556 ( 0.000 0.000 0.282) 0.282 6.697 ( 0.000 0.000 7.741) 7.741 6.779 ( 0.000 0.000 10.862) 10.862 6.815 ( 0.000 0.000 3.255) 3.255 6.924 ( 0.000 0.000 5.022) 5.022 7.168 ( 0.000 0.000 7.911) 7.911 7.176 ( 0.000 0.000 8.666) 8.666 7.311 ( 0.000 0.000 5.846) 5.846 7.332 ( 0.000 0.000 3.890) 3.890 7.915 ( 0.000 0.000 1.478) 1.478 8.010 ( 0.000 0.000 -2.836) 2.836 8.217 ( 0.000 0.000 1.803) 1.803 8.248 ( 0.000 0.000 0.018) 0.018 8.597 ( 0.000 0.000 1.470) 1.470 8.611 ( 0.000 0.000 0.847) 0.847 8.754 ( 0.000 0.000 3.723) 3.723 8.811 ( 0.000 0.000 1.835) 1.835 8.821 ( 0.000 0.000 1.366) 1.366 8.887 ( 0.000 0.000 1.388) 1.388 8.966 ( 0.000 0.000 -4.974) 4.974 9.082 ( 0.000 0.000 -4.927) 4.927 9.132 ( 0.000 0.000 0.747) 0.747 9.161 ( 0.000 0.000 -0.528) 0.528 9.191 ( 0.000 0.000 3.673) 3.673 9.251 ( 0.000 0.000 -0.806) 0.806 9.376 ( 0.000 0.000 0.465) 0.465 9.403 ( 0.000 0.000 -0.251) 0.251 9.888 ( 0.000 0.000 8.069) 8.069 10.167 ( 0.000 0.000 -4.856) 4.856 10.834 ( 0.000 0.000 4.583) 4.583 10.946 ( 0.000 0.000 -0.275) 0.275 11.009 ( 0.000 0.000 0.558) 0.558 11.094 ( 0.000 0.000 -2.456) 2.456 11.096 ( 0.000 0.000 1.046) 1.046 11.106 ( 0.000 0.000 0.674) 0.674 11.147 ( 0.000 0.000 -1.067) 1.067 11.157 ( 0.000 0.000 -1.642) 1.642 11.316 ( 0.000 0.000 0.539) 0.539 11.375 ( 0.000 0.000 -2.478) 2.478 11.655 ( 0.000 0.000 0.699) 0.699 11.687 ( 0.000 0.000 2.734) 2.734 11.695 ( 0.000 0.000 -1.310) 1.310 11.797 ( 0.000 0.000 -0.077) 0.077 11.992 ( 0.000 0.000 -0.551) 0.551 12.008 ( 0.000 0.000 -1.318) 1.318 12.167 ( 0.000 0.000 -0.924) 0.924 12.401 ( 0.000 0.000 -8.635) 8.635 12.811 ( 0.000 0.000 4.883) 4.883 13.007 ( 0.000 0.000 3.603) 3.603 13.009 ( 0.000 0.000 0.430) 0.430 13.031 ( 0.000 0.000 -2.141) 2.141 13.229 ( 0.000 0.000 6.077) 6.077 13.422 ( 0.000 0.000 -2.951) 2.951 13.653 ( 0.000 0.000 4.689) 4.689 13.663 ( 0.000 0.000 7.115) 7.115 13.672 ( 0.000 0.000 2.961) 2.961 13.825 ( 0.000 0.000 -0.592) 0.592 14.072 ( 0.000 0.000 5.384) 5.384 14.233 ( 0.000 0.000 -2.838) 2.838 14.570 ( 0.000 0.000 2.296) 2.296 14.593 ( 0.000 0.000 1.420) 1.420 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 3.714 0.000 -9.617) 10.310 1.324 ( -2.767 0.000 -1.922) 3.369 1.527 ( 4.635 0.000 19.077) 19.632 1.789 ( -6.369 0.000 3.886) 7.461 1.841 ( 1.076 0.000 8.784) 8.850 1.964 ( -5.852 0.000 0.989) 5.935 2.212 ( 6.775 0.000 -12.481) 14.201 2.343 ( -0.548 0.000 -9.070) 9.087 2.380 ( 0.484 0.000 -13.008) 13.017 2.465 ( -3.174 0.000 -15.818) 16.134 2.471 ( 0.359 0.000 13.444) 13.449 2.519 ( -0.252 0.000 16.252) 16.254 2.703 ( 0.244 0.000 -6.281) 6.285 2.821 ( -1.055 0.000 -10.368) 10.422 2.945 ( 5.667 0.000 0.146) 5.669 3.104 ( -0.277 0.000 -4.778) 4.786 3.140 ( -0.891 0.000 -3.692) 3.798 3.147 ( 7.050 0.000 -6.849) 9.829 3.215 ( -2.949 0.000 -8.000) 8.526 3.367 ( 10.125 0.000 1.210) 10.197 3.395 ( 6.223 0.000 3.551) 7.165 3.463 ( -5.354 0.000 -4.383) 6.919 3.615 ( 7.294 0.000 -5.864) 9.359 3.789 ( -10.790 0.000 -0.234) 10.792 3.809 ( -0.123 0.000 3.280) 3.283 3.933 ( -6.900 0.000 -4.543) 8.262 4.196 ( -8.128 0.000 -7.838) 11.291 4.299 ( 9.063 0.000 5.691) 10.701 4.303 ( -2.025 0.000 -5.554) 5.912 4.366 ( -0.791 0.000 -9.213) 9.247 4.393 ( -2.552 0.000 -7.627) 8.042 4.574 ( -5.811 0.000 -9.008) 10.720 4.579 ( 0.335 0.000 -4.994) 5.005 4.662 ( -3.744 0.000 0.571) 3.788 4.663 ( -7.133 0.000 -8.131) 10.816 4.794 ( -4.223 0.000 -3.588) 5.542 5.150 ( 6.481 0.000 -4.765) 8.044 5.174 ( 8.007 0.000 -5.881) 9.935 5.238 ( 0.803 0.000 -3.383) 3.477 5.365 ( -2.457 0.000 -9.771) 10.075 6.106 ( 2.339 0.000 2.631) 3.520 6.142 ( 5.515 0.000 5.096) 7.509 6.173 ( 4.598 0.000 -0.142) 4.601 6.207 ( 8.132 0.000 2.015) 8.378 6.236 ( -2.409 0.000 3.844) 4.537 6.307 ( -1.768 0.000 0.438) 1.822 6.354 ( -3.068 0.000 9.107) 9.610 6.495 ( -6.067 0.000 1.482) 6.246 6.694 ( -0.201 0.000 8.077) 8.079 6.758 ( -2.608 0.000 8.823) 9.200 6.841 ( 2.875 0.000 5.304) 6.033 6.919 ( -0.715 0.000 4.849) 4.902 7.164 ( 0.229 0.000 8.757) 8.760 7.187 ( 0.335 0.000 8.143) 8.150 7.305 ( -0.582 0.000 5.561) 5.591 7.318 ( -1.183 0.000 4.602) 4.752 7.923 ( 1.070 0.000 0.573) 1.214 7.992 ( -1.903 0.000 -2.489) 3.133 8.202 ( -1.066 0.000 1.720) 2.024 8.229 ( -1.872 0.000 0.150) 1.878 8.600 ( 0.288 0.000 1.384) 1.413 8.609 ( -0.157 0.000 0.944) 0.957 8.768 ( 1.633 0.000 3.337) 3.715 8.812 ( 0.110 0.000 1.729) 1.733 8.819 ( -0.220 0.000 1.396) 1.413 8.860 ( -2.645 0.000 1.833) 3.218 8.980 ( 1.583 0.000 -5.315) 5.545 9.062 ( -2.076 0.000 -5.301) 5.693 9.137 ( 0.591 0.000 0.614) 0.852 9.158 ( -0.332 0.000 -0.291) 0.441 9.208 ( 1.663 0.000 2.951) 3.387 9.254 ( -0.055 0.000 -0.392) 0.396 9.372 ( -0.115 0.000 0.928) 0.935 9.397 ( -0.679 0.000 -0.118) 0.689 9.930 ( 4.410 0.000 6.990) 8.264 10.124 ( -4.501 0.000 -1.874) 4.876 10.860 ( 2.504 0.000 4.820) 5.432 10.945 ( -0.765 0.000 2.392) 2.511 11.002 ( 0.478 0.000 -0.615) 0.779 11.088 ( -1.220 0.000 -1.624) 2.031 11.098 ( 0.177 0.000 0.995) 1.011 11.105 ( -0.141 0.000 0.736) 0.749 11.149 ( 0.218 0.000 -1.165) 1.185 11.156 ( -0.092 0.000 -1.568) 1.571 11.332 ( 1.280 0.000 0.421) 1.347 11.373 ( -0.493 0.000 -1.200) 1.297 11.641 ( -1.372 0.000 -0.327) 1.411 11.662 ( 0.766 0.000 0.454) 0.891 11.691 ( -0.484 0.000 -0.986) 1.098 11.776 ( -3.921 0.000 -3.955) 5.569 11.994 ( 0.228 0.000 -0.600) 0.642 12.005 ( -0.266 0.000 -1.141) 1.172 12.271 ( 10.444 0.000 0.991) 10.491 12.480 ( 6.373 0.000 -6.848) 9.355 12.769 ( -3.543 0.000 3.519) 4.994 12.953 ( -6.374 0.000 -3.491) 7.268 13.000 ( -0.187 0.000 3.594) 3.599 13.024 ( -0.722 0.000 1.353) 1.533 13.248 ( 2.130 0.000 5.192) 5.612 13.378 ( -4.163 0.000 -0.362) 4.179 13.654 ( 0.203 0.000 4.405) 4.410 13.668 ( -0.366 0.000 3.161) 3.182 13.701 ( 3.564 0.000 4.647) 5.856 13.809 ( -1.744 0.000 0.027) 1.744 14.114 ( 4.259 0.000 4.005) 5.846 14.232 ( -0.597 0.000 -2.170) 2.251 14.557 ( -0.926 0.000 2.582) 2.743 14.581 ( -1.354 0.000 1.245) 1.839 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -4.842 0.000 -6.808) 8.354 1.254 ( 4.842 0.000 -6.808) 8.354 1.646 ( -8.459 0.000 14.931) 17.161 1.646 ( 8.459 0.000 14.931) 17.161 1.880 ( -3.507 0.000 6.966) 7.799 1.880 ( 3.507 0.000 6.966) 7.799 2.310 ( -3.762 0.000 -12.800) 13.341 2.310 ( 3.762 0.000 -12.800) 13.341 2.405 ( -2.707 0.000 -13.251) 13.525 2.405 ( 2.707 0.000 -13.251) 13.525 2.497 ( -1.866 0.000 10.904) 11.062 2.497 ( 1.866 0.000 10.904) 11.062 2.751 ( -4.673 0.000 -12.218) 13.081 2.751 ( 4.673 0.000 -12.218) 13.081 3.060 ( -5.064 0.000 1.445) 5.266 3.060 ( 5.064 0.000 1.445) 5.266 3.159 ( -2.643 0.000 -5.141) 5.781 3.159 ( 2.643 0.000 -5.141) 5.781 3.297 ( -9.322 0.000 -6.251) 11.223 3.297 ( 9.322 0.000 -6.251) 11.223 3.572 ( -12.361 0.000 -0.495) 12.371 3.572 ( 12.361 0.000 -0.495) 12.371 3.642 ( -16.252 0.000 9.146) 18.649 3.642 ( 16.252 0.000 9.146) 18.649 3.779 ( -9.623 0.000 -4.986) 10.838 3.779 ( 9.623 0.000 -4.986) 10.838 4.192 ( -7.154 0.000 -13.762) 15.511 4.192 ( 7.154 0.000 -13.762) 15.511 4.364 ( -1.062 0.000 -1.819) 2.106 4.364 ( 1.062 0.000 -1.819) 2.106 4.468 ( -9.484 0.000 3.429) 10.085 4.468 ( 9.484 0.000 3.429) 10.085 4.568 ( -3.204 0.000 -10.653) 11.125 4.568 ( 3.204 0.000 -10.653) 11.125 4.704 ( -5.281 0.000 -4.783) 7.125 4.704 ( 5.281 0.000 -4.783) 7.125 5.220 ( -2.707 0.000 -4.477) 5.231 5.220 ( 2.707 0.000 -4.477) 5.231 5.303 ( -5.278 0.000 -9.395) 10.776 5.303 ( 5.278 0.000 -9.395) 10.776 6.171 ( -4.202 0.000 4.349) 6.048 6.171 ( 4.202 0.000 4.349) 6.048 6.256 ( -3.935 0.000 0.045) 3.936 6.256 ( 3.935 0.000 0.045) 3.936 6.261 ( -6.740 0.000 6.940) 9.674 6.261 ( 6.740 0.000 6.940) 9.674 6.363 ( -8.503 0.000 1.659) 8.663 6.363 ( 8.503 0.000 1.659) 8.663 6.709 ( -2.173 0.000 9.154) 9.408 6.709 ( 2.173 0.000 9.154) 9.408 6.892 ( -2.413 0.000 4.974) 5.528 6.892 ( 2.413 0.000 4.974) 5.528 7.178 ( -1.113 0.000 8.714) 8.785 7.178 ( 1.113 0.000 8.714) 8.785 7.302 ( -0.456 0.000 5.199) 5.219 7.302 ( 0.456 0.000 5.199) 5.219 7.953 ( -2.196 0.000 -1.235) 2.519 7.953 ( 2.196 0.000 -1.235) 2.519 8.199 ( -0.971 0.000 0.915) 1.334 8.199 ( 0.971 0.000 0.915) 1.334 8.605 ( -0.307 0.000 1.168) 1.208 8.605 ( 0.307 0.000 1.168) 1.208 8.809 ( -2.827 0.000 2.570) 3.821 8.809 ( 2.827 0.000 2.570) 3.821 8.815 ( -0.239 0.000 1.526) 1.545 8.815 ( 0.239 0.000 1.526) 1.545 9.018 ( -2.604 0.000 -5.608) 6.183 9.018 ( 2.604 0.000 -5.608) 6.183 9.149 ( -0.653 0.000 0.211) 0.686 9.149 ( 0.653 0.000 0.211) 0.686 9.239 ( -1.567 0.000 1.274) 2.020 9.239 ( 1.567 0.000 1.274) 2.020 9.381 ( -0.978 0.000 0.568) 1.131 9.381 ( 0.978 0.000 0.568) 1.131 10.027 ( -6.027 0.000 3.431) 6.935 10.027 ( 6.027 0.000 3.431) 6.935 10.908 ( -2.762 0.000 4.640) 5.400 10.908 ( 2.762 0.000 4.640) 5.400 11.044 ( -3.339 0.000 -0.942) 3.469 11.044 ( 3.339 0.000 -0.942) 3.469 11.101 ( -0.219 0.000 0.870) 0.898 11.101 ( 0.219 0.000 0.870) 0.898 11.153 ( -0.214 0.000 -1.378) 1.394 11.153 ( 0.214 0.000 -1.378) 1.394 11.354 ( -1.328 0.000 0.574) 1.447 11.354 ( 1.328 0.000 0.574) 1.447 11.678 ( -0.914 0.000 -0.226) 0.941 11.678 ( 0.914 0.000 -0.226) 0.941 11.684 ( -5.195 0.000 -5.239) 7.378 11.684 ( 5.195 0.000 -5.239) 7.378 11.999 ( -0.361 0.000 -0.807) 0.884 11.999 ( 0.361 0.000 -0.807) 0.884 12.464 ( -9.067 0.000 0.912) 9.113 12.464 ( 9.067 0.000 0.912) 9.113 12.808 ( -8.355 0.000 -3.865) 9.206 12.808 ( 8.355 0.000 -3.865) 9.206 13.008 ( -0.888 0.000 2.844) 2.980 13.008 ( 0.888 0.000 2.844) 2.980 13.302 ( -3.962 0.000 2.882) 4.899 13.302 ( 3.962 0.000 2.882) 4.899 13.660 ( -0.444 0.000 3.747) 3.773 13.660 ( 0.444 0.000 3.747) 3.773 13.764 ( -3.250 0.000 1.797) 3.713 13.764 ( 3.250 0.000 1.797) 3.713 14.193 ( -3.845 0.000 0.668) 3.902 14.193 ( 3.845 0.000 0.668) 3.902 14.556 ( -0.980 0.000 1.868) 2.109 14.556 ( 0.980 0.000 1.868) 2.109 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 14.857 -2.654) 15.092 1.493 ( 0.000 8.954 7.551) 11.713 1.571 ( 0.000 8.592 12.215) 14.935 1.782 ( 0.000 -3.048 0.586) 3.103 1.878 ( 0.000 3.444 5.876) 6.811 2.059 ( 0.000 -4.125 -4.022) 5.761 2.100 ( 0.000 3.263 -9.120) 9.686 2.316 ( 0.000 -0.829 -6.615) 6.667 2.335 ( 0.000 -0.650 -12.004) 12.021 2.434 ( 0.000 -3.205 -13.125) 13.510 2.659 ( 0.000 11.843 18.793) 22.213 2.687 ( 0.000 9.529 1.701) 9.679 2.718 ( 0.000 0.160 3.056) 3.061 2.885 ( 0.000 4.230 -5.286) 6.770 2.901 ( 0.000 -1.163 -10.292) 10.357 3.017 ( 0.000 1.111 -1.428) 1.809 3.125 ( 0.000 -3.338 -1.340) 3.597 3.160 ( 0.000 6.878 -7.352) 10.067 3.303 ( 0.000 7.496 -8.845) 11.594 3.373 ( 0.000 8.306 3.175) 8.892 3.502 ( 0.000 6.390 -10.747) 12.503 3.596 ( 0.000 9.903 -0.932) 9.946 3.655 ( 0.000 9.203 -6.093) 11.037 3.781 ( 0.000 0.579 2.182) 2.258 3.962 ( 0.000 4.464 -0.986) 4.572 3.987 ( 0.000 -4.263 -1.453) 4.504 4.142 ( 0.000 1.071 -1.585) 1.913 4.264 ( 0.000 -2.112 -2.620) 3.365 4.343 ( 0.000 -3.225 -7.569) 8.228 4.420 ( 0.000 0.918 -13.451) 13.482 4.463 ( 0.000 9.800 -5.266) 11.125 4.530 ( 0.000 -2.470 -6.414) 6.873 4.684 ( 0.000 0.471 -7.978) 7.992 4.702 ( 0.000 -1.857 -3.425) 3.896 4.800 ( 0.000 5.087 -1.637) 5.344 4.840 ( 0.000 -0.773 -2.886) 2.988 5.010 ( 0.000 -1.970 -3.367) 3.901 5.096 ( 0.000 1.318 -2.251) 2.609 5.216 ( 0.000 -0.067 -0.474) 0.479 5.392 ( 0.000 0.004 -7.734) 7.734 5.962 ( 0.000 -10.875 2.939) 11.265 5.973 ( 0.000 -10.254 2.948) 10.670 6.073 ( 0.000 -4.172 -0.332) 4.185 6.077 ( 0.000 -3.469 -1.237) 3.683 6.250 ( 0.000 -2.175 3.978) 4.534 6.292 ( 0.000 -2.721 1.309) 3.019 6.324 ( 0.000 -5.169 7.854) 9.402 6.472 ( 0.000 -7.817 -0.237) 7.821 6.692 ( 0.000 0.143 8.623) 8.624 6.775 ( 0.000 -0.118 11.355) 11.356 6.807 ( 0.000 -0.289 4.283) 4.293 6.919 ( 0.000 -0.504 5.325) 5.348 7.164 ( 0.000 -1.064 8.634) 8.700 7.165 ( 0.000 -0.328 7.722) 7.729 7.288 ( 0.000 -2.140 5.934) 6.308 7.293 ( 0.000 -3.325 5.038) 6.037 7.931 ( 0.000 1.363 1.456) 1.994 8.015 ( 0.000 0.305 -2.282) 2.303 8.207 ( 0.000 -0.816 1.647) 1.838 8.232 ( 0.000 -1.247 0.264) 1.274 8.605 ( 0.000 0.163 0.956) 0.970 8.614 ( 0.000 1.483 0.708) 1.643 8.770 ( 0.000 0.264 2.003) 2.020 8.808 ( 0.000 -1.364 0.600) 1.491 8.845 ( 0.000 3.293 2.344) 4.042 8.905 ( 0.000 0.701 2.329) 2.432 8.953 ( 0.000 1.450 -3.019) 3.349 9.043 ( 0.000 -1.202 -3.118) 3.342 9.175 ( 0.000 -1.538 3.737) 4.041 9.180 ( 0.000 -0.233 1.451) 1.470 9.211 ( 0.000 5.486 -0.562) 5.515 9.306 ( 0.000 4.545 -3.258) 5.592 9.349 ( 0.000 -2.436 0.100) 2.438 9.379 ( 0.000 -1.999 -0.325) 2.025 9.826 ( 0.000 -5.371 5.887) 7.969 10.023 ( 0.000 -11.907 -2.711) 12.212 10.726 ( 0.000 -6.097 2.670) 6.656 10.775 ( 0.000 -8.428 0.568) 8.447 10.884 ( 0.000 -6.900 0.410) 6.912 10.930 ( 0.000 -7.064 -1.031) 7.138 11.222 ( 0.000 6.001 0.906) 6.069 11.224 ( 0.000 5.899 1.140) 6.008 11.270 ( 0.000 2.884 0.771) 2.986 11.308 ( 0.000 0.615 -0.334) 0.700 11.333 ( 0.000 5.194 -1.228) 5.338 11.402 ( 0.000 6.844 -4.702) 8.303 11.651 ( 0.000 -0.414 0.422) 0.591 11.669 ( 0.000 -2.047 -0.574) 2.126 11.692 ( 0.000 0.683 2.690) 2.775 11.785 ( 0.000 -0.959 0.328) 1.013 11.969 ( 0.000 -1.723 -1.323) 2.172 11.993 ( 0.000 -1.286 -1.845) 2.249 12.235 ( 0.000 5.563 -1.910) 5.882 12.409 ( 0.000 0.845 -7.924) 7.969 12.819 ( 0.000 0.567 3.852) 3.893 12.970 ( 0.000 -3.122 -2.110) 3.768 13.023 ( 0.000 3.094 5.243) 6.088 13.073 ( 0.000 4.166 2.185) 4.704 13.328 ( 0.000 6.205 4.550) 7.694 13.448 ( 0.000 0.512 0.332) 0.610 13.645 ( 0.000 0.443 4.644) 4.665 13.684 ( 0.000 2.915 0.168) 2.920 13.736 ( 0.000 5.510 6.329) 8.392 13.888 ( 0.000 4.456 -0.284) 4.465 14.028 ( 0.000 -3.612 5.394) 6.492 14.193 ( 0.000 -3.365 -3.088) 4.567 14.487 ( 0.000 -7.232 2.436) 7.631 14.517 ( 0.000 -6.716 1.128) 6.810 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 3.024 13.823 -1.003) 14.185 1.478 ( -1.520 9.668 6.124) 11.544 1.602 ( 2.877 8.304 10.761) 13.894 1.749 ( -3.687 -0.803 4.411) 5.805 1.876 ( 0.138 2.669 4.184) 4.965 1.964 ( -4.921 -0.638 1.440) 5.167 2.212 ( 6.589 -0.552 -12.936) 14.528 2.317 ( -0.100 -2.752 -10.147) 10.514 2.341 ( 0.698 1.119 -9.784) 9.873 2.418 ( -1.960 -1.434 -12.474) 12.708 2.621 ( -0.509 9.596 8.520) 12.843 2.692 ( -0.571 7.832 8.281) 11.413 2.769 ( 2.382 5.635 -1.001) 6.199 2.832 ( -3.946 1.069 -11.876) 12.560 2.946 ( 4.423 1.234 0.051) 4.592 3.074 ( 4.416 -3.315 -1.550) 5.735 3.091 ( -0.976 0.699 -2.206) 2.511 3.230 ( 4.638 2.828 -6.386) 8.383 3.272 ( 0.500 8.786 -5.239) 10.242 3.430 ( -2.174 6.311 0.346) 6.684 3.499 ( 6.109 5.730 -9.096) 12.364 3.558 ( -2.704 9.786 2.435) 10.440 3.732 ( 0.845 6.508 -3.842) 7.605 3.761 ( 0.165 2.431 0.616) 2.513 3.852 ( -3.273 1.414 -1.952) 4.065 4.019 ( -2.834 4.911 -4.307) 7.121 4.137 ( -4.318 -2.815 -4.829) 7.063 4.254 ( 2.229 -1.975 -1.609) 3.385 4.294 ( -7.088 -0.310 -10.251) 12.466 4.366 ( 1.742 -0.631 -4.746) 5.095 4.500 ( -1.652 4.101 -4.007) 5.967 4.531 ( 0.577 1.774 -5.421) 5.733 4.601 ( -7.397 -1.285 -5.303) 9.191 4.660 ( 1.156 4.805 -6.290) 8.000 4.739 ( -5.409 5.355 -0.746) 7.648 4.815 ( -2.874 0.614 -4.056) 5.009 5.128 ( 9.142 -2.817 -6.542) 11.589 5.148 ( 4.094 -1.153 -3.456) 5.481 5.238 ( 1.372 0.341 -2.811) 3.146 5.355 ( -3.840 -0.799 -8.080) 8.982 5.997 ( 4.461 -11.478 4.498) 13.110 6.022 ( 3.479 -8.540 3.538) 9.877 6.094 ( 3.319 -6.936 0.317) 7.696 6.122 ( 3.043 -5.307 -0.724) 6.160 6.240 ( -0.693 -2.640 4.389) 5.168 6.279 ( -1.300 -2.617 1.416) 3.247 6.301 ( -2.273 -4.420 6.044) 7.825 6.418 ( -5.469 -7.052 0.525) 8.940 6.693 ( 0.364 0.480 9.105) 9.125 6.752 ( -2.137 -0.084 9.606) 9.842 6.838 ( 2.852 -0.106 5.785) 6.451 6.913 ( -0.761 -0.528 5.239) 5.320 7.159 ( 0.060 -0.508 8.594) 8.609 7.173 ( 0.107 -1.169 8.166) 8.250 7.282 ( -0.424 -2.176 5.647) 6.067 7.288 ( -0.421 -2.525 5.515) 6.081 7.943 ( 1.393 1.646 0.662) 2.256 8.006 ( -1.109 1.083 -2.113) 2.621 8.190 ( -1.342 -1.068 1.582) 2.333 8.213 ( -1.911 -1.334 0.299) 2.349 8.610 ( 0.454 0.503 0.889) 1.118 8.617 ( 0.205 1.487 0.715) 1.662 8.775 ( 0.550 -0.169 1.795) 1.885 8.802 ( -0.614 -1.409 0.779) 1.723 8.849 ( 0.471 3.234 2.313) 4.004 8.891 ( -1.474 1.799 2.478) 3.399 8.959 ( 0.890 0.505 -3.200) 3.360 9.024 ( -1.933 -1.107 -3.158) 3.865 9.182 ( 0.716 -0.645 2.541) 2.718 9.193 ( 0.902 -0.768 2.505) 2.771 9.218 ( 1.083 4.974 -1.285) 5.251 9.295 ( -1.621 3.784 -3.575) 5.452 9.349 ( 0.579 -1.917 1.301) 2.388 9.380 ( -0.216 -1.256 -0.404) 1.337 9.857 ( 3.272 -6.279 5.151) 8.756 9.995 ( -3.002 -10.767 -0.821) 11.208 10.740 ( 1.553 -6.616 2.930) 7.400 10.787 ( 0.607 -7.920 1.432) 8.071 10.878 ( -0.215 -6.975 -0.100) 6.979 10.920 ( -1.092 -7.286 -1.115) 7.451 11.217 ( -0.381 5.829 1.123) 5.949 11.219 ( -0.430 5.763 1.257) 5.914 11.280 ( 0.886 1.937 0.095) 2.132 11.314 ( -0.800 -0.358 -0.665) 1.100 11.331 ( 1.848 7.307 -0.296) 7.543 11.419 ( 0.200 7.424 -2.429) 7.814 11.629 ( -1.566 -0.904 -0.281) 1.830 11.664 ( -0.577 -1.862 -0.827) 2.117 11.678 ( 0.931 1.463 0.756) 1.892 11.785 ( -2.028 0.657 -3.086) 3.750 11.961 ( -0.234 -2.515 -0.541) 2.583 11.984 ( -0.853 -1.726 -1.467) 2.421 12.325 ( 9.206 4.423 -0.398) 10.222 12.491 ( 7.354 0.815 -6.708) 9.987 12.761 ( -5.527 -0.287 3.034) 6.312 12.909 ( -6.628 -3.217 -3.221) 8.041 13.028 ( 0.673 3.489 5.006) 6.139 13.065 ( -0.830 4.036 3.097) 5.155 13.335 ( 0.926 5.360 4.128) 6.828 13.417 ( -2.902 1.632 1.322) 3.583 13.662 ( 1.388 1.036 3.902) 4.269 13.693 ( 0.320 3.746 2.101) 4.307 13.751 ( 2.133 4.159 4.120) 6.231 13.866 ( -2.460 4.198 0.071) 4.867 14.072 ( 4.456 -3.542 4.103) 7.017 14.193 ( -0.497 -3.254 -2.289) 4.009 14.474 ( -0.972 -7.300 2.579) 7.803 14.502 ( -1.570 -6.918 1.031) 7.169 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -3.561 11.758 2.031) 12.452 1.433 ( 3.561 11.758 2.031) 12.452 1.668 ( -4.695 4.521 8.860) 10.999 1.668 ( 4.695 4.521 8.860) 10.999 1.899 ( -2.610 1.121 4.588) 5.396 1.899 ( 2.610 1.121 4.588) 5.396 2.296 ( -2.708 -3.373 -14.161) 14.806 2.296 ( 2.708 -3.373 -14.161) 14.806 2.371 ( -2.777 1.927 -9.520) 10.103 2.371 ( 2.777 1.927 -9.520) 10.103 2.656 ( -3.342 8.531 6.250) 11.091 2.656 ( 3.342 8.531 6.250) 11.091 2.785 ( -0.854 3.586 -9.019) 9.743 2.785 ( 0.854 3.586 -9.019) 9.743 3.028 ( -4.041 -0.398 1.965) 4.511 3.028 ( 4.041 -0.398 1.965) 4.511 3.208 ( -6.123 -0.000 -5.217) 8.044 3.208 ( 6.123 -0.000 -5.217) 8.044 3.349 ( -4.753 7.241 -3.868) 9.486 3.349 ( 4.753 7.241 -3.868) 9.486 3.571 ( -4.905 3.197 3.109) 6.629 3.571 ( 4.905 3.197 3.109) 6.629 3.712 ( -10.181 4.442 -4.067) 11.830 3.712 ( 10.181 4.442 -4.067) 11.830 3.909 ( -9.464 7.895 -0.213) 12.327 3.909 ( 9.464 7.895 -0.213) 12.327 4.145 ( -7.208 -2.514 -11.710) 13.979 4.145 ( 7.208 -2.514 -11.710) 13.979 4.351 ( -4.254 1.349 -0.860) 4.545 4.351 ( 4.254 1.349 -0.860) 4.545 4.490 ( -4.091 -3.225 -6.563) 8.379 4.490 ( 4.091 -3.225 -6.563) 8.379 4.604 ( -5.703 8.040 -1.113) 9.919 4.604 ( 5.703 8.040 -1.113) 9.919 4.748 ( -4.224 2.610 -5.547) 7.445 4.748 ( 4.224 2.610 -5.547) 7.445 5.214 ( -2.946 -0.502 -4.293) 5.231 5.214 ( 2.946 -0.502 -4.293) 5.231 5.272 ( -5.566 -2.550 -8.385) 10.382 5.272 ( 5.566 -2.550 -8.385) 10.382 6.063 ( -0.424 -9.717 5.061) 10.964 6.063 ( 0.424 -9.717 5.061) 10.964 6.140 ( -1.589 -8.848 1.636) 9.138 6.140 ( 1.589 -8.848 1.636) 9.138 6.247 ( -1.828 -3.066 3.236) 4.819 6.247 ( 1.828 -3.066 3.236) 4.819 6.313 ( -5.042 -4.102 1.151) 6.601 6.313 ( 5.042 -4.102 1.151) 6.601 6.713 ( -1.921 0.672 9.742) 9.952 6.713 ( 1.921 0.672 9.742) 9.952 6.887 ( -2.278 -0.441 5.379) 5.858 6.887 ( 2.278 -0.441 5.379) 5.858 7.166 ( -0.676 -0.972 8.657) 8.737 7.166 ( 0.676 -0.972 8.657) 8.737 7.281 ( -0.270 -1.967 5.605) 5.947 7.281 ( 0.270 -1.967 5.605) 5.947 7.976 ( -2.111 1.966 -1.020) 3.060 7.976 ( 2.111 1.966 -1.020) 3.060 8.183 ( -0.906 -1.448 0.881) 1.923 8.183 ( 0.906 -1.448 0.881) 1.923 8.617 ( -0.234 1.174 0.773) 1.425 8.617 ( 0.234 1.174 0.773) 1.425 8.788 ( -0.881 -1.068 1.271) 1.880 8.788 ( 0.881 -1.068 1.271) 1.880 8.864 ( -1.317 2.953 2.381) 4.016 8.864 ( 1.317 2.953 2.381) 4.016 8.986 ( -2.075 -0.615 -3.234) 3.891 8.986 ( 2.075 -0.615 -3.234) 3.891 9.194 ( -0.502 0.169 2.157) 2.221 9.194 ( 0.502 0.169 2.157) 2.221 9.254 ( -2.565 2.904 -2.021) 4.370 9.254 ( 2.565 2.904 -2.021) 4.370 9.367 ( -1.151 -0.808 0.414) 1.466 9.367 ( 1.151 -0.808 0.414) 1.466 9.928 ( -4.351 -8.422 2.710) 9.859 9.928 ( 4.351 -8.422 2.710) 9.859 10.774 ( -1.900 -7.152 2.931) 7.959 10.774 ( 1.900 -7.152 2.931) 7.959 10.893 ( -1.710 -7.398 -1.099) 7.672 10.893 ( 1.710 -7.398 -1.099) 7.672 11.214 ( -0.107 5.701 1.318) 5.852 11.214 ( 0.107 5.701 1.318) 5.852 11.297 ( -0.967 1.085 -0.730) 1.626 11.297 ( 0.967 1.085 -0.730) 1.626 11.382 ( -3.440 7.346 0.797) 8.151 11.382 ( 3.440 7.346 0.797) 8.151 11.642 ( -1.816 -1.850 -2.050) 3.305 11.642 ( 1.816 -1.850 -2.050) 3.305 11.722 ( -3.821 2.298 -2.822) 5.277 11.722 ( 3.821 2.298 -2.822) 5.277 11.968 ( -0.819 -2.510 -0.674) 2.725 11.968 ( 0.819 -2.510 -0.674) 2.725 12.502 ( -8.529 3.215 0.097) 9.115 12.502 ( 8.529 3.215 0.097) 9.115 12.763 ( -7.957 -3.243 -3.475) 9.269 12.763 ( 7.957 -3.243 -3.475) 9.269 13.046 ( -1.224 3.856 4.234) 5.856 13.046 ( 1.224 3.856 4.234) 5.856 13.365 ( -2.544 3.555 2.870) 5.230 13.365 ( 2.544 3.555 2.870) 5.230 13.684 ( -1.074 2.990 3.619) 4.815 13.684 ( 1.074 2.990 3.619) 4.815 13.808 ( -3.751 3.535 1.289) 5.313 13.808 ( 3.751 3.535 1.289) 5.313 14.155 ( -3.967 -3.272 0.800) 5.204 14.155 ( 3.967 -3.272 0.800) 5.204 14.473 ( -1.134 -7.255 1.683) 7.533 14.473 ( 1.134 -7.255 1.683) 7.533 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 3.143 12.341) 12.735 1.646 ( 0.000 12.877 8.547) 15.456 1.796 ( 0.000 6.478 0.189) 6.481 1.797 ( 0.000 2.963 8.472) 8.975 1.941 ( 0.000 -1.959 -8.337) 8.564 1.967 ( 0.000 2.714 12.084) 12.385 2.123 ( 0.000 -3.085 -6.377) 7.084 2.285 ( 0.000 -6.029 -18.498) 19.456 2.349 ( 0.000 4.668 -8.264) 9.491 2.491 ( 0.000 7.940 -5.626) 9.731 2.728 ( 0.000 -0.303 0.525) 0.606 2.786 ( 0.000 -1.847 -7.243) 7.475 2.831 ( 0.000 -2.453 -4.777) 5.371 2.873 ( 0.000 4.103 -5.148) 6.583 2.920 ( 0.000 7.064 5.141) 8.737 3.004 ( 0.000 0.829 -6.988) 7.037 3.353 ( 0.000 13.906 1.307) 13.968 3.372 ( 0.000 5.454 -11.589) 12.808 3.421 ( 0.000 7.139 -3.104) 7.784 3.552 ( 0.000 6.194 3.084) 6.920 3.583 ( 0.000 2.394 -7.351) 7.731 3.762 ( 0.000 -1.027 -3.236) 3.395 3.855 ( 0.000 0.257 0.899) 0.935 3.902 ( 0.000 10.839 0.170) 10.841 3.919 ( 0.000 11.879 -5.333) 13.021 4.108 ( 0.000 8.207 -0.276) 8.212 4.174 ( 0.000 1.677 -3.120) 3.542 4.245 ( 0.000 -10.220 -4.291) 11.084 4.280 ( 0.000 -3.379 -9.384) 9.973 4.281 ( 0.000 2.293 -7.587) 7.926 4.577 ( 0.000 -2.521 -4.427) 5.095 4.616 ( 0.000 -0.482 -8.586) 8.599 4.692 ( 0.000 0.809 -5.236) 5.298 4.743 ( 0.000 6.228 -10.732) 12.408 4.839 ( 0.000 3.206 -0.365) 3.226 4.885 ( 0.000 6.414 0.665) 6.448 5.053 ( 0.000 7.395 -1.047) 7.469 5.150 ( 0.000 4.086 -1.811) 4.469 5.241 ( 0.000 1.708 2.883) 3.351 5.359 ( 0.000 -4.506 -0.678) 4.557 5.690 ( 0.000 -14.515 1.182) 14.563 5.708 ( 0.000 -10.954 -2.029) 11.140 5.953 ( 0.000 -6.716 -0.870) 6.772 5.957 ( 0.000 -8.242 -0.373) 8.251 6.145 ( 0.000 -5.122 4.763) 6.994 6.212 ( 0.000 -4.059 2.227) 4.630 6.214 ( 0.000 -4.009 1.815) 4.400 6.261 ( 0.000 -9.696 -0.519) 9.710 6.728 ( 0.000 3.298 9.537) 10.091 6.787 ( 0.000 1.364 11.286) 11.368 6.812 ( 0.000 0.518 6.245) 6.267 6.897 ( 0.000 -1.751 6.418) 6.652 7.136 ( 0.000 -1.246 8.339) 8.431 7.152 ( 0.000 -0.852 7.335) 7.384 7.210 ( 0.000 -3.674 6.787) 7.718 7.224 ( 0.000 -3.489 6.169) 7.087 7.965 ( 0.000 1.651 1.156) 2.016 8.015 ( 0.000 -0.442 -0.931) 1.031 8.189 ( 0.000 -0.586 1.183) 1.321 8.205 ( 0.000 -1.167 0.373) 1.225 8.629 ( 0.000 1.823 0.444) 1.876 8.652 ( 0.000 1.749 -0.491) 1.816 8.762 ( 0.000 -0.797 -0.144) 0.810 8.768 ( 0.000 -1.942 -0.455) 1.995 8.920 ( 0.000 3.218 2.690) 4.194 8.935 ( 0.000 2.501 2.379) 3.452 9.017 ( 0.000 2.818 0.517) 2.865 9.052 ( 0.000 0.915 0.102) 0.920 9.128 ( 0.000 -2.006 3.811) 4.307 9.160 ( 0.000 -0.654 1.264) 1.424 9.269 ( 0.000 -4.417 1.170) 4.569 9.288 ( 0.000 -1.620 -1.044) 1.927 9.367 ( 0.000 3.972 -1.227) 4.157 9.413 ( 0.000 4.699 -4.704) 6.649 9.689 ( 0.000 -6.491 1.125) 6.587 9.747 ( 0.000 -11.767 -1.025) 11.811 10.636 ( 0.000 -2.208 1.260) 2.542 10.652 ( 0.000 -3.296 0.387) 3.318 10.763 ( 0.000 -3.931 0.459) 3.958 10.798 ( 0.000 -4.945 -0.623) 4.984 11.266 ( 0.000 0.073 0.213) 0.225 11.277 ( 0.000 -0.901 -0.083) 0.905 11.301 ( 0.000 0.423 0.835) 0.936 11.301 ( 0.000 0.815 0.696) 1.072 11.477 ( 0.000 5.306 -0.940) 5.389 11.532 ( 0.000 3.354 -3.263) 4.680 11.631 ( 0.000 -0.832 0.101) 0.838 11.642 ( 0.000 -0.318 -0.137) 0.346 11.719 ( 0.000 1.545 2.114) 2.618 11.765 ( 0.000 -0.826 0.710) 1.089 11.935 ( 0.000 -1.053 -1.959) 2.224 11.959 ( 0.000 -1.646 -2.554) 3.038 12.366 ( 0.000 5.583 -3.296) 6.483 12.437 ( 0.000 1.395 -5.898) 6.061 12.837 ( 0.000 1.185 2.285) 2.574 12.907 ( 0.000 -2.356 -0.657) 2.446 13.145 ( 0.000 7.385 6.147) 9.608 13.200 ( 0.000 7.031 3.930) 8.055 13.405 ( 0.000 0.275 4.385) 4.394 13.410 ( 0.000 -3.489 4.823) 5.953 13.682 ( 0.000 3.064 5.473) 6.272 13.804 ( 0.000 6.704 -2.607) 7.194 13.875 ( 0.000 6.612 5.301) 8.474 13.897 ( 0.000 -4.523 5.021) 6.758 14.015 ( 0.000 3.362 1.040) 3.519 14.106 ( 0.000 -4.496 -4.201) 6.153 14.297 ( 0.000 -8.945 1.743) 9.113 14.338 ( 0.000 -8.700 0.075) 8.700 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.100 5.520 14.729) 15.730 1.641 ( -1.289 8.783 9.160) 12.756 1.795 ( 1.465 3.902 3.610) 5.514 1.852 ( 3.950 6.881 3.590) 8.709 1.900 ( -3.418 -1.819 -4.154) 5.679 1.960 ( -0.895 4.132 6.830) 8.033 2.149 ( 2.207 -5.344 -7.776) 9.690 2.250 ( -2.756 -4.430 -14.813) 15.705 2.410 ( 5.174 5.292 -11.451) 13.635 2.510 ( 1.198 9.803 -8.708) 13.167 2.727 ( 0.587 0.074 -0.681) 0.902 2.790 ( 1.271 -0.053 -3.284) 3.521 2.859 ( -4.653 2.253 -6.683) 8.450 2.874 ( 0.651 3.482 -2.386) 4.271 2.920 ( 6.466 -1.745 4.572) 8.109 3.012 ( 0.873 0.773 -3.886) 4.058 3.262 ( -5.350 9.047 -1.974) 10.694 3.363 ( -2.138 4.718 -9.213) 10.569 3.488 ( 2.419 9.270 -2.516) 9.906 3.542 ( -4.310 2.619 -9.310) 10.588 3.610 ( 5.790 4.016 3.080) 7.690 3.726 ( -2.258 -0.466 -1.233) 2.615 3.781 ( -3.800 7.535 0.071) 8.439 3.925 ( -3.197 6.897 -3.987) 8.585 3.939 ( 3.256 7.402 -2.534) 8.474 4.086 ( -5.785 -1.076 -4.086) 7.164 4.095 ( -2.169 2.432 -8.530) 9.131 4.241 ( -1.328 -1.537 -5.281) 5.658 4.291 ( 5.722 3.456 -2.316) 7.075 4.351 ( 4.452 -0.633 -6.062) 7.548 4.519 ( -4.657 0.393 -2.914) 5.507 4.592 ( -3.260 -0.937 -7.614) 8.335 4.754 ( 2.386 10.755 -4.535) 11.914 4.777 ( 3.868 5.495 -4.819) 8.269 4.842 ( 0.329 4.888 -2.104) 5.332 4.863 ( -2.212 5.934 -0.989) 6.409 5.076 ( 2.748 1.393 -0.300) 3.096 5.154 ( 2.080 1.689 -2.637) 3.759 5.245 ( -0.006 -0.351 -1.892) 1.925 5.334 ( -3.701 -1.642 -2.539) 4.779 5.701 ( 3.100 -14.548 1.832) 14.987 5.763 ( 4.299 -13.340 0.679) 14.032 5.917 ( -3.759 -10.303 0.049) 10.967 5.937 ( -2.356 -10.929 0.227) 11.183 6.149 ( 0.488 -3.454 3.422) 4.887 6.203 ( -1.451 -3.849 1.465) 4.366 6.208 ( -0.114 -3.905 2.007) 4.392 6.239 ( -1.820 -7.501 0.224) 7.722 6.735 ( 0.711 3.350 9.754) 10.337 6.772 ( -1.123 1.956 10.210) 10.456 6.837 ( 2.052 -0.153 7.081) 7.374 6.892 ( -0.644 -1.642 6.440) 6.677 7.139 ( 0.289 -1.086 8.318) 8.393 7.150 ( -0.213 -0.671 7.659) 7.691 7.213 ( 0.382 -3.547 6.608) 7.510 7.223 ( -0.096 -3.462 6.203) 7.105 7.985 ( 2.167 2.027 0.703) 3.049 8.027 ( 1.101 0.561 -1.048) 1.620 8.164 ( -2.445 -1.043 1.068) 2.865 8.180 ( -2.433 -1.507 0.277) 2.876 8.638 ( 0.993 1.984 0.348) 2.246 8.657 ( 0.379 2.030 -0.416) 2.106 8.759 ( -0.272 -1.215 -0.218) 1.264 8.761 ( -0.535 -2.026 -0.344) 2.123 8.919 ( 0.014 3.052 2.702) 4.076 8.932 ( -0.391 2.564 2.515) 3.613 9.012 ( -0.285 2.570 0.361) 2.611 9.038 ( -1.320 1.220 0.045) 1.798 9.141 ( 1.255 -1.782 3.257) 3.919 9.166 ( 0.364 -0.933 1.446) 1.759 9.265 ( -0.165 -3.146 0.662) 3.219 9.284 ( -0.585 -2.545 -0.852) 2.747 9.382 ( 1.576 4.577 -1.374) 5.032 9.416 ( 0.110 4.735 -3.836) 6.095 9.697 ( 0.906 -7.548 0.895) 7.655 9.739 ( -0.915 -11.316 -0.617) 11.370 10.645 ( 1.257 -2.143 1.510) 2.907 10.672 ( 1.527 -2.961 0.546) 3.376 10.751 ( -0.910 -4.279 0.283) 4.384 10.786 ( -1.356 -5.036 -0.680) 5.259 11.265 ( -0.001 -0.011 0.319) 0.319 11.275 ( -0.327 -0.686 0.210) 0.789 11.296 ( -0.137 0.762 0.486) 0.914 11.303 ( -0.195 0.361 0.680) 0.794 11.489 ( 1.586 5.199 -0.448) 5.454 11.547 ( 0.912 2.909 -2.341) 3.844 11.615 ( -1.801 -0.272 0.152) 1.828 11.629 ( -0.975 -0.920 -0.537) 1.444 11.731 ( 2.309 2.999 0.778) 3.864 11.797 ( 1.752 0.240 -1.429) 2.273 11.912 ( -1.832 -1.462 -1.155) 2.613 11.942 ( -1.746 -1.928 -2.099) 3.342 12.432 ( 7.106 4.738 -2.130) 8.802 12.509 ( 7.424 0.674 -5.177) 9.076 12.771 ( -6.953 1.206 1.703) 7.260 12.845 ( -6.693 -2.379 -1.545) 7.269 13.151 ( 0.711 7.242 5.967) 9.410 13.189 ( -1.017 6.913 4.552) 8.339 13.394 ( -0.849 -0.391 4.574) 4.669 13.401 ( -0.882 -2.689 4.743) 5.523 13.719 ( 3.723 3.891 4.877) 7.266 13.820 ( 0.937 6.803 -1.023) 6.943 13.862 ( -0.597 5.255 4.720) 7.089 13.930 ( 1.416 -0.681 2.413) 2.880 14.009 ( 0.909 0.369 2.135) 2.350 14.111 ( 0.030 -3.874 -3.253) 5.059 14.279 ( -1.511 -9.545 1.837) 9.837 14.317 ( -2.142 -9.041 -0.062) 9.291 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -1.949 6.531 13.789) 15.381 1.607 ( 1.949 6.531 13.789) 15.381 1.837 ( -3.017 3.190 0.169) 4.394 1.837 ( 3.017 3.190 0.169) 4.394 1.924 ( -3.251 4.066 2.879) 5.949 1.924 ( 3.251 4.066 2.879) 5.949 2.196 ( -3.142 -5.323 -10.555) 12.232 2.196 ( 3.142 -5.323 -10.555) 12.232 2.494 ( -3.409 9.180 -12.687) 16.027 2.494 ( 3.409 9.180 -12.687) 16.027 2.765 ( -4.020 2.312 -0.104) 4.638 2.765 ( 4.020 2.312 -0.104) 4.638 2.846 ( -3.193 1.372 -4.639) 5.796 2.846 ( 3.193 1.372 -4.639) 5.796 3.024 ( -1.602 -1.976 2.787) 3.773 3.024 ( 1.602 -1.976 2.787) 3.773 3.254 ( -6.522 4.936 -3.626) 8.947 3.254 ( 6.522 4.936 -3.626) 8.947 3.498 ( -1.471 2.519 -10.001) 10.418 3.498 ( 1.471 2.519 -10.001) 10.418 3.723 ( -2.327 7.699 1.822) 8.247 3.723 ( 2.327 7.699 1.822) 8.247 3.770 ( -8.012 3.322 -3.793) 9.467 3.770 ( 8.012 3.322 -3.793) 9.467 4.008 ( -4.232 3.226 -2.799) 6.013 4.008 ( 4.232 3.226 -2.799) 6.013 4.155 ( -6.290 1.834 -8.572) 10.789 4.155 ( 6.290 1.834 -8.572) 10.789 4.394 ( -4.005 1.202 -0.540) 4.216 4.394 ( 4.005 1.202 -0.540) 4.216 4.500 ( -5.882 2.999 -6.851) 9.515 4.500 ( 5.882 2.999 -6.851) 9.515 4.797 ( -2.052 8.231 -0.779) 8.518 4.797 ( 2.052 8.231 -0.779) 8.518 4.833 ( -0.848 8.666 -2.689) 9.113 4.833 ( 0.848 8.666 -2.689) 9.113 5.165 ( -4.619 -4.110 -2.279) 6.590 5.165 ( 4.619 -4.110 -2.279) 6.590 5.252 ( -3.283 1.186 -5.244) 6.300 5.252 ( 3.283 1.186 -5.244) 6.300 5.785 ( -4.470 -14.526 3.646) 15.629 5.785 ( 4.470 -14.526 3.646) 15.629 5.883 ( -2.719 -14.004 -0.239) 14.267 5.883 ( 2.719 -14.004 -0.239) 14.267 6.168 ( -1.860 -3.067 1.731) 3.982 6.168 ( 1.860 -3.067 1.731) 3.982 6.216 ( -0.879 -4.373 1.342) 4.658 6.216 ( 0.879 -4.373 1.342) 4.658 6.752 ( -1.134 2.948 10.044) 10.529 6.752 ( 1.134 2.948 10.044) 10.529 6.872 ( -1.666 -1.150 6.755) 7.052 6.872 ( 1.666 -1.150 6.755) 7.052 7.145 ( -0.369 -0.681 8.096) 8.133 7.145 ( 0.369 -0.681 8.096) 8.133 7.220 ( -0.285 -3.446 6.350) 7.230 7.220 ( 0.285 -3.446 6.350) 7.230 8.028 ( -1.796 2.659 -0.506) 3.248 8.028 ( 1.796 2.659 -0.506) 3.248 8.141 ( -0.964 -2.357 0.615) 2.620 8.141 ( 0.964 -2.357 0.615) 2.620 8.656 ( -0.696 2.294 -0.046) 2.398 8.656 ( 0.696 2.294 -0.046) 2.398 8.756 ( -0.056 -1.934 -0.274) 1.954 8.756 ( 0.056 -1.934 -0.274) 1.954 8.923 ( -0.477 2.791 2.709) 3.919 8.923 ( 0.477 2.791 2.709) 3.919 9.016 ( -0.847 1.908 0.066) 2.088 9.016 ( 0.847 1.908 0.066) 2.088 9.162 ( -0.885 -1.415 2.268) 2.816 9.162 ( 0.885 -1.415 2.268) 2.816 9.270 ( -0.724 -2.558 -0.300) 2.675 9.270 ( 0.724 -2.558 -0.300) 2.675 9.409 ( -1.075 4.897 -2.284) 5.509 9.409 ( 1.075 4.897 -2.284) 5.509 9.718 ( -1.314 -9.754 0.223) 9.845 9.718 ( 1.314 -9.754 0.223) 9.845 10.674 ( -1.498 -2.060 1.534) 2.973 10.674 ( 1.498 -2.060 1.534) 2.973 10.756 ( -1.604 -5.173 -0.621) 5.451 10.756 ( 1.604 -5.173 -0.621) 5.451 11.268 ( -0.317 -0.244 0.427) 0.584 11.268 ( 0.317 -0.244 0.427) 0.584 11.297 ( -0.271 0.470 0.446) 0.702 11.297 ( 0.271 0.470 0.446) 0.702 11.530 ( -2.548 4.458 0.037) 5.135 11.530 ( 2.548 4.458 0.037) 5.135 11.609 ( -1.111 -1.112 -1.254) 2.011 11.609 ( 1.111 -1.112 -1.254) 2.011 11.785 ( -2.934 3.315 -1.977) 4.848 11.785 ( 2.934 3.315 -1.977) 4.848 11.909 ( -1.531 -2.746 -0.872) 3.263 11.909 ( 1.531 -2.746 -0.872) 3.263 12.582 ( -7.367 3.791 -0.931) 8.337 12.582 ( 7.367 3.791 -0.931) 8.337 12.701 ( -7.222 -2.366 -2.430) 7.979 12.701 ( 7.222 -2.366 -2.430) 7.979 13.169 ( -1.181 6.968 5.414) 8.903 13.169 ( 1.181 6.968 5.414) 8.903 13.388 ( -0.327 -1.478 4.663) 4.902 13.388 ( 0.327 -1.478 4.663) 4.902 13.789 ( -3.602 5.692 3.824) 7.746 13.789 ( 3.602 5.692 3.824) 7.746 13.897 ( -3.437 4.108 0.969) 5.443 13.897 ( 3.437 4.108 0.969) 5.443 14.075 ( -4.310 -3.352 0.566) 5.490 14.075 ( 4.310 -3.352 0.566) 5.490 14.278 ( -1.691 -9.833 0.423) 9.986 14.278 ( 1.691 -9.833 0.423) 9.986 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.000 -6.046 10.076) 11.750 1.704 ( 0.000 6.046 10.076) 11.750 1.854 ( 0.000 -0.706 4.809) 4.860 1.854 ( 0.000 0.706 4.809) 4.860 1.990 ( 0.000 -7.910 -2.162) 8.200 1.990 ( 0.000 7.910 -2.162) 8.200 2.108 ( 0.000 -8.491 -3.174) 9.065 2.108 ( 0.000 8.491 -3.174) 9.065 2.517 ( 0.000 -7.914 -4.109) 8.917 2.517 ( 0.000 7.914 -4.109) 8.917 2.699 ( 0.000 -0.587 -2.423) 2.493 2.699 ( 0.000 0.587 -2.423) 2.493 2.890 ( 0.000 -2.277 -14.947) 15.120 2.890 ( 0.000 2.277 -14.947) 15.120 3.049 ( 0.000 -0.179 -5.963) 5.966 3.049 ( 0.000 0.179 -5.963) 5.966 3.405 ( 0.000 -4.057 -0.971) 4.172 3.405 ( 0.000 4.057 -0.971) 4.172 3.578 ( 0.000 -3.635 -1.295) 3.858 3.578 ( 0.000 3.635 -1.295) 3.858 3.678 ( 0.000 -6.507 -6.386) 9.117 3.678 ( 0.000 6.507 -6.386) 9.117 3.988 ( 0.000 -9.876 -2.303) 10.141 3.988 ( 0.000 9.876 -2.303) 10.141 4.082 ( 0.000 -1.497 -1.062) 1.836 4.082 ( 0.000 1.497 -1.062) 1.836 4.226 ( 0.000 -2.656 -2.608) 3.722 4.226 ( 0.000 2.656 -2.608) 3.722 4.318 ( 0.000 -4.812 -5.917) 7.627 4.318 ( 0.000 4.812 -5.917) 7.627 4.471 ( 0.000 -1.032 -4.912) 5.020 4.471 ( 0.000 1.032 -4.912) 5.020 4.752 ( 0.000 -3.178 -7.997) 8.605 4.752 ( 0.000 3.178 -7.997) 8.605 5.032 ( 0.000 -4.296 -3.758) 5.707 5.032 ( 0.000 4.296 -3.758) 5.707 5.188 ( 0.000 -5.881 5.016) 7.729 5.188 ( 0.000 5.881 5.016) 7.729 5.248 ( 0.000 -1.193 2.742) 2.990 5.248 ( 0.000 1.193 2.742) 2.990 5.524 ( 0.000 -4.137 -3.435) 5.377 5.524 ( 0.000 4.137 -3.435) 5.377 5.835 ( 0.000 -1.018 -0.651) 1.209 5.835 ( 0.000 1.018 -0.651) 1.209 6.119 ( 0.000 -2.526 1.357) 2.867 6.119 ( 0.000 2.526 1.357) 2.867 6.165 ( 0.000 -0.293 1.107) 1.145 6.165 ( 0.000 0.293 1.107) 1.145 6.803 ( 0.000 -2.092 9.022) 9.262 6.803 ( 0.000 2.092 9.022) 9.262 6.836 ( 0.000 -3.393 8.847) 9.476 6.836 ( 0.000 3.393 8.847) 9.476 7.130 ( 0.000 -0.926 7.553) 7.609 7.130 ( 0.000 0.926 7.553) 7.609 7.170 ( 0.000 -0.478 6.577) 6.594 7.170 ( 0.000 0.478 6.577) 6.594 7.997 ( 0.000 -1.209 0.360) 1.262 7.997 ( 0.000 1.209 0.360) 1.262 8.187 ( 0.000 -0.387 0.615) 0.726 8.187 ( 0.000 0.387 0.615) 0.726 8.666 ( 0.000 -0.969 -0.342) 1.027 8.666 ( 0.000 0.969 -0.342) 1.027 8.745 ( 0.000 -0.255 -0.949) 0.983 8.745 ( 0.000 0.255 -0.949) 0.983 8.982 ( 0.000 -1.332 2.619) 2.938 8.982 ( 0.000 1.332 2.619) 2.938 9.024 ( 0.000 -1.621 3.479) 3.838 9.024 ( 0.000 1.621 3.479) 3.838 9.154 ( 0.000 -3.026 1.415) 3.341 9.154 ( 0.000 3.026 1.415) 3.341 9.219 ( 0.000 -2.672 -0.793) 2.787 9.219 ( 0.000 2.672 -0.793) 2.787 9.470 ( 0.000 -2.414 -2.836) 3.725 9.470 ( 0.000 2.414 -2.836) 3.725 9.589 ( 0.000 -0.119 -1.565) 1.569 9.589 ( 0.000 0.119 -1.565) 1.569 10.617 ( 0.000 -0.247 0.385) 0.458 10.617 ( 0.000 0.247 0.385) 0.458 10.730 ( 0.000 -1.034 0.259) 1.066 10.730 ( 0.000 1.034 0.259) 1.066 11.282 ( 0.000 -0.885 -0.080) 0.889 11.282 ( 0.000 0.885 -0.080) 0.889 11.285 ( 0.000 -1.175 0.393) 1.239 11.285 ( 0.000 1.175 0.393) 1.239 11.546 ( 0.000 -1.374 -0.991) 1.694 11.546 ( 0.000 1.374 -0.991) 1.694 11.635 ( 0.000 -0.484 -0.547) 0.730 11.635 ( 0.000 0.484 -0.547) 0.730 11.747 ( 0.000 -0.977 1.185) 1.536 11.747 ( 0.000 0.977 1.185) 1.536 11.932 ( 0.000 -0.683 -2.392) 2.488 11.932 ( 0.000 0.683 -2.392) 2.488 12.444 ( 0.000 -1.373 -4.187) 4.406 12.444 ( 0.000 1.373 -4.187) 4.406 12.867 ( 0.000 -1.544 0.932) 1.803 12.867 ( 0.000 1.544 0.932) 1.803 13.298 ( 0.000 -5.208 5.747) 7.756 13.298 ( 0.000 5.208 5.747) 7.756 13.350 ( 0.000 -4.210 4.870) 6.438 13.350 ( 0.000 4.210 4.870) 6.438 13.771 ( 0.000 -5.047 6.743) 8.423 13.771 ( 0.000 5.047 6.743) 8.423 13.957 ( 0.000 -3.866 -2.525) 4.618 13.957 ( 0.000 3.866 -2.525) 4.618 14.033 ( 0.000 -1.615 3.327) 3.699 14.033 ( 0.000 1.615 3.327) 3.699 14.202 ( 0.000 -2.289 -2.063) 3.081 14.202 ( 0.000 2.289 -2.063) 3.081 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 1.438 -6.439 9.517) 11.580 1.716 ( 1.438 6.439 9.517) 11.580 1.820 ( -3.399 -5.374 6.301) 8.952 1.820 ( -3.399 5.374 6.301) 8.952 2.009 ( 2.292 -6.952 -2.943) 7.890 2.009 ( 2.292 6.952 -2.943) 7.890 2.107 ( -0.892 -7.764 -3.633) 8.619 2.107 ( -0.892 7.764 -3.633) 8.619 2.578 ( 6.221 -7.538 -5.666) 11.297 2.578 ( 6.221 7.538 -5.666) 11.297 2.736 ( 3.338 -1.469 -5.090) 6.262 2.736 ( 3.338 1.469 -5.090) 6.262 2.868 ( -1.579 -1.365 -8.870) 9.113 2.868 ( -1.579 1.365 -8.870) 9.113 3.027 ( -2.930 -3.338 -2.336) 5.018 3.027 ( -2.930 3.338 -2.336) 5.018 3.359 ( -1.928 -1.870 -7.022) 7.518 3.359 ( -1.928 1.870 -7.022) 7.518 3.544 ( -7.773 -1.755 -3.611) 8.748 3.544 ( -7.773 1.755 -3.611) 8.748 3.720 ( 6.150 -3.992 -3.685) 8.206 3.720 ( 6.150 3.992 -3.685) 8.206 3.914 ( -5.124 -5.293 -3.893) 8.332 3.914 ( -5.124 5.293 -3.893) 8.332 4.094 ( 1.127 -2.697 -1.069) 3.112 4.094 ( 1.127 2.697 -1.069) 3.112 4.184 ( -3.675 -3.265 -1.460) 5.128 4.184 ( -3.675 3.265 -1.460) 5.128 4.377 ( 5.066 -2.403 -6.653) 8.701 4.377 ( 5.066 2.403 -6.653) 8.701 4.490 ( 0.315 -4.659 -5.828) 7.468 4.490 ( 0.315 4.659 -5.828) 7.468 4.832 ( 7.840 -0.460 -4.752) 9.179 4.832 ( 7.840 0.460 -4.752) 9.179 5.025 ( -1.273 -3.307 -2.695) 4.452 5.025 ( -1.273 3.307 -2.695) 4.452 5.175 ( -0.723 -2.803 3.949) 4.896 5.175 ( -0.723 2.803 3.949) 4.896 5.230 ( -2.028 -5.417 2.152) 6.171 5.230 ( -2.028 5.417 2.152) 6.171 5.543 ( 2.612 -4.832 -2.921) 6.222 5.543 ( 2.612 4.832 -2.921) 6.222 5.765 ( -6.995 -1.867 -0.872) 7.292 5.765 ( -6.995 1.867 -0.872) 7.292 6.131 ( 1.038 -1.843 1.396) 2.534 6.131 ( 1.038 1.843 1.396) 2.534 6.160 ( -0.528 -0.357 1.199) 1.358 6.160 ( -0.528 0.357 1.199) 1.358 6.810 ( 0.746 -1.996 9.056) 9.303 6.810 ( 0.746 1.996 9.056) 9.303 6.835 ( -0.244 -2.977 8.817) 9.310 6.835 ( -0.244 2.977 8.817) 9.310 7.139 ( 0.855 -1.040 7.401) 7.522 7.139 ( 0.855 1.040 7.401) 7.522 7.167 ( -0.399 -0.646 6.686) 6.729 7.167 ( -0.399 0.646 6.686) 6.729 8.021 ( 2.722 -1.119 0.230) 2.952 8.021 ( 2.722 1.119 0.230) 2.952 8.157 ( -3.239 -0.473 0.349) 3.292 8.157 ( -3.239 0.473 0.349) 3.292 8.679 ( 1.365 -0.964 -0.391) 1.716 8.679 ( 1.365 0.964 -0.391) 1.716 8.735 ( -1.142 -0.468 -0.871) 1.510 8.735 ( -1.142 0.468 -0.871) 1.510 8.982 ( 0.191 -1.447 2.618) 2.998 8.982 ( 0.191 1.447 2.618) 2.998 9.014 ( -1.085 -1.616 3.238) 3.778 9.014 ( -1.085 1.616 3.238) 3.778 9.168 ( 1.371 -2.868 1.109) 3.366 9.168 ( 1.371 2.868 1.109) 3.366 9.213 ( -0.699 -2.626 -0.383) 2.744 9.213 ( -0.699 2.626 -0.383) 2.744 9.491 ( 2.201 -2.075 -2.602) 3.990 9.491 ( 2.201 2.075 -2.602) 3.990 9.576 ( -1.552 -0.453 -1.682) 2.333 9.576 ( -1.552 0.453 -1.682) 2.333 10.635 ( 1.905 -0.871 0.387) 2.130 10.635 ( 1.905 0.871 0.387) 2.130 10.715 ( -1.647 -1.146 0.295) 2.028 10.715 ( -1.647 1.146 0.295) 2.028 11.280 ( -0.122 -1.228 0.123) 1.240 11.280 ( -0.122 1.228 0.123) 1.240 11.284 ( -0.185 -1.324 0.243) 1.359 11.284 ( -0.185 1.324 0.243) 1.359 11.556 ( 1.181 -1.387 -0.735) 1.964 11.556 ( 1.181 1.387 -0.735) 1.964 11.619 ( -1.524 -0.392 -0.313) 1.604 11.619 ( -1.524 0.392 -0.313) 1.604 11.783 ( 3.509 -1.603 0.006) 3.858 11.783 ( 3.509 1.603 0.006) 3.858 11.909 ( -2.496 -0.962 -2.092) 3.395 11.909 ( -2.496 0.962 -2.092) 3.395 12.503 ( 6.504 -1.630 -3.339) 7.491 12.503 ( 6.504 1.630 -3.339) 7.491 12.804 ( -6.799 -1.670 0.169) 7.003 12.804 ( -6.799 1.670 0.169) 7.003 13.299 ( 0.302 -4.666 5.698) 7.370 13.299 ( 0.302 4.666 5.698) 7.370 13.335 ( -1.368 -3.863 5.259) 6.667 13.335 ( -1.368 3.863 5.259) 6.667 13.817 ( 4.513 -4.951 6.017) 9.005 13.817 ( 4.513 4.951 6.017) 9.005 13.954 ( -1.210 -2.632 0.995) 3.063 13.954 ( -1.210 2.632 0.995) 3.063 14.038 ( 1.518 -3.381 0.381) 3.726 14.038 ( 1.518 3.381 0.381) 3.726 14.170 ( -3.408 -2.784 -2.007) 4.837 14.170 ( -3.408 2.784 -2.007) 4.837 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -3.178 -6.772 8.184) 11.088 1.757 ( 3.121 -6.766 8.184) 11.068 1.757 ( -3.121 6.766 8.184) 11.068 1.757 ( 3.178 6.772 8.184) 11.088 2.065 ( -3.465 -6.690 -3.667) 8.379 2.065 ( 3.444 -6.688 -3.667) 8.369 2.065 ( -3.444 6.688 -3.667) 8.369 2.065 ( 3.465 6.690 -3.667) 8.379 2.702 ( -6.314 -7.651 -10.019) 14.099 2.702 ( 4.598 -7.338 -10.019) 13.243 2.702 ( -4.598 7.338 -10.019) 13.243 2.702 ( 6.314 7.651 -10.019) 14.099 2.932 ( -7.269 -5.874 1.929) 9.543 2.932 ( 6.701 -5.703 1.929) 9.008 2.932 ( -6.701 5.703 1.929) 9.008 2.932 ( 7.269 5.874 1.929) 9.543 3.395 ( -4.843 -7.635 -9.227) 12.918 3.395 ( 1.415 -7.275 -9.227) 11.835 3.395 ( -1.415 7.275 -9.227) 11.835 3.395 ( 4.843 7.635 -9.227) 12.918 3.829 ( -5.012 -1.072 -3.394) 6.147 3.829 ( -4.532 -0.069 -3.394) 5.662 3.829 ( 4.532 0.069 -3.394) 5.662 3.829 ( 5.012 1.072 -3.394) 6.147 4.126 ( -2.152 -5.605 -0.863) 6.065 4.126 ( 1.606 -5.559 -0.863) 5.850 4.126 ( -1.606 5.559 -0.863) 5.850 4.126 ( 2.152 5.605 -0.863) 6.065 4.459 ( -3.023 -4.812 -6.929) 8.961 4.459 ( 1.513 -4.631 -6.929) 8.470 4.459 ( -1.513 4.631 -6.929) 8.470 4.459 ( 3.023 4.812 -6.929) 8.961 4.965 ( -5.725 -4.413 -1.432) 7.368 4.965 ( 3.225 -3.726 -1.432) 5.131 4.965 ( -3.225 3.726 -1.432) 5.131 4.965 ( 5.725 4.413 -1.432) 7.368 5.187 ( -1.864 -9.372 1.796) 9.723 5.187 ( 1.714 -9.365 1.796) 9.688 5.187 ( -1.714 9.365 1.796) 9.688 5.187 ( 1.864 9.372 1.796) 9.723 5.630 ( -6.417 -5.120 -1.759) 8.396 5.630 ( 0.582 -4.001 -1.759) 4.409 5.630 ( -0.582 4.001 -1.759) 4.409 5.630 ( 6.417 5.120 -1.759) 8.396 6.148 ( -0.718 -1.373 1.369) 2.068 6.148 ( 0.543 -1.353 1.369) 2.000 6.148 ( -0.543 1.353 1.369) 2.000 6.148 ( 0.718 1.373 1.369) 2.068 6.825 ( -0.634 -3.219 8.956) 9.538 6.825 ( 0.523 -3.214 8.956) 9.530 6.825 ( -0.523 3.214 8.956) 9.530 6.825 ( 0.634 3.219 8.956) 9.538 7.155 ( -0.575 -1.917 7.012) 7.292 7.155 ( 0.278 -1.900 7.012) 7.271 7.155 ( -0.278 1.900 7.012) 7.271 7.155 ( 0.575 1.917 7.012) 7.292 8.086 ( -3.283 -2.277 0.096) 3.997 8.086 ( -2.012 -1.871 0.096) 2.749 8.086 ( 2.012 1.871 0.096) 2.749 8.086 ( 3.284 2.277 0.096) 3.997 8.708 ( -1.065 -2.304 -0.623) 2.613 8.708 ( -0.059 -2.241 -0.623) 2.327 8.708 ( 0.059 2.241 -0.623) 2.327 8.708 ( 1.065 2.304 -0.623) 2.613 8.993 ( -0.589 -3.312 2.822) 4.391 8.993 ( 0.342 -3.303 2.822) 4.358 8.993 ( -0.342 3.303 2.822) 4.358 8.993 ( 0.589 3.312 2.822) 4.391 9.194 ( -1.130 -3.648 0.399) 3.839 9.194 ( 0.862 -3.629 0.399) 3.751 9.194 ( -0.862 3.629 0.399) 3.751 9.194 ( 1.130 3.648 0.399) 3.839 9.537 ( -0.949 -6.865 -2.079) 7.236 9.537 ( -0.032 -6.849 -2.079) 7.157 9.537 ( 0.032 6.849 -2.079) 7.157 9.537 ( 0.949 6.865 -2.079) 7.236 10.677 ( -2.061 -1.979 0.358) 2.880 10.677 ( -0.039 -1.690 0.358) 1.728 10.677 ( 0.039 1.690 0.358) 1.728 10.677 ( 2.061 1.979 0.358) 2.880 11.280 ( -0.176 -1.317 0.213) 1.346 11.280 ( 0.175 -1.317 0.213) 1.345 11.280 ( -0.175 1.317 0.213) 1.345 11.280 ( 0.176 1.317 0.213) 1.346 11.586 ( -1.831 -1.283 -0.432) 2.277 11.586 ( -0.135 -0.901 -0.432) 1.008 11.586 ( 0.135 0.901 -0.432) 1.008 11.586 ( 1.831 1.283 -0.432) 2.277 11.851 ( -3.129 -2.528 -1.332) 4.237 11.851 ( -0.767 -2.023 -1.332) 2.540 11.851 ( 0.767 2.023 -1.332) 2.540 11.851 ( 3.129 2.528 -1.332) 4.237 12.652 ( -9.184 -2.223 -1.524) 9.571 12.652 ( -8.127 0.606 -1.524) 8.291 12.652 ( 8.127 -0.606 -1.524) 8.291 12.652 ( 9.184 2.223 -1.524) 9.571 13.312 ( -0.825 -5.490 5.588) 7.876 13.312 ( 0.715 -5.486 5.588) 7.863 13.312 ( -0.715 5.486 5.588) 7.863 13.312 ( 0.825 5.490 5.588) 7.876 13.901 ( -4.421 -4.208 4.556) 7.616 13.901 ( 4.421 -4.208 4.556) 7.616 13.901 ( -4.421 4.208 4.556) 7.616 13.901 ( 4.421 4.208 4.556) 7.616 14.096 ( -3.679 -5.953 -1.869) 7.244 14.096 ( 1.840 -5.736 -1.869) 6.307 14.096 ( -1.840 5.736 -1.869) 6.307 14.096 ( 3.679 5.953 -1.869) 7.244 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 0.000 -11.417) 11.417 1.145 ( 0.000 0.000 11.417) 11.417 1.775 ( 0.000 0.000 -7.552) 7.552 1.775 ( 0.000 0.000 7.552) 7.552 1.959 ( 0.000 0.000 -7.671) 7.671 1.959 ( 0.000 0.000 7.671) 7.671 2.200 ( 0.000 0.000 -4.116) 4.116 2.200 ( 0.000 0.000 4.116) 4.116 2.245 ( 0.000 0.000 -11.652) 11.652 2.245 ( 0.000 0.000 11.652) 11.652 2.633 ( 0.000 0.000 -6.712) 6.712 2.633 ( 0.000 0.000 6.712) 6.712 2.730 ( 0.000 0.000 -0.881) 0.881 2.730 ( 0.000 0.000 0.881) 0.881 2.913 ( 0.000 0.000 -11.297) 11.297 2.913 ( 0.000 0.000 11.297) 11.297 3.122 ( 0.000 0.000 -0.105) 0.105 3.122 ( 0.000 0.000 0.105) 0.105 3.171 ( 0.000 0.000 -12.298) 12.298 3.171 ( 0.000 0.000 12.298) 12.298 3.402 ( 0.000 0.000 -7.474) 7.474 3.402 ( 0.000 0.000 7.474) 7.474 3.735 ( 0.000 0.000 -16.305) 16.305 3.735 ( 0.000 0.000 16.305) 16.305 3.925 ( 0.000 0.000 -2.493) 2.493 3.925 ( 0.000 0.000 2.493) 2.493 4.141 ( 0.000 0.000 -2.051) 2.051 4.141 ( 0.000 0.000 2.051) 2.051 4.346 ( 0.000 0.000 -2.644) 2.644 4.346 ( 0.000 0.000 2.644) 2.644 4.378 ( 0.000 0.000 -9.112) 9.112 4.378 ( 0.000 0.000 9.112) 9.112 4.597 ( 0.000 0.000 -2.034) 2.034 4.597 ( 0.000 0.000 2.034) 2.034 4.771 ( 0.000 0.000 -3.012) 3.012 4.771 ( 0.000 0.000 3.012) 3.012 5.054 ( 0.000 0.000 -2.471) 2.471 5.054 ( 0.000 0.000 2.471) 2.471 5.241 ( 0.000 0.000 -4.113) 4.113 5.241 ( 0.000 0.000 4.113) 4.113 6.109 ( 0.000 0.000 -0.205) 0.205 6.109 ( 0.000 0.000 0.205) 0.205 6.137 ( 0.000 0.000 -0.089) 0.089 6.137 ( 0.000 0.000 0.089) 0.089 6.310 ( 0.000 0.000 -1.495) 1.495 6.310 ( 0.000 0.000 1.495) 1.495 6.516 ( 0.000 0.000 -3.909) 3.909 6.516 ( 0.000 0.000 3.909) 3.909 6.819 ( 0.000 0.000 -3.195) 3.195 6.819 ( 0.000 0.000 3.195) 3.195 6.939 ( 0.000 0.000 -3.759) 3.759 6.939 ( 0.000 0.000 3.759) 3.759 7.259 ( 0.000 0.000 -0.485) 0.485 7.259 ( 0.000 0.000 0.485) 0.485 7.370 ( 0.000 0.000 -0.244) 0.244 7.370 ( 0.000 0.000 0.244) 0.244 7.955 ( 0.000 0.000 -2.406) 2.406 7.955 ( 0.000 0.000 2.406) 2.406 8.242 ( 0.000 0.000 -0.693) 0.693 8.242 ( 0.000 0.000 0.693) 0.693 8.617 ( 0.000 0.000 -0.353) 0.353 8.617 ( 0.000 0.000 0.353) 0.353 8.833 ( 0.000 0.000 -0.266) 0.266 8.833 ( 0.000 0.000 0.266) 0.266 8.843 ( 0.000 0.000 -4.811) 4.811 8.843 ( 0.000 0.000 4.811) 4.811 8.968 ( 0.000 0.000 -4.754) 4.754 8.968 ( 0.000 0.000 4.754) 4.754 9.148 ( 0.000 0.000 -0.747) 0.747 9.148 ( 0.000 0.000 0.747) 0.747 9.237 ( 0.000 0.000 -1.064) 1.064 9.237 ( 0.000 0.000 1.064) 1.064 9.394 ( 0.000 0.000 -0.723) 0.723 9.394 ( 0.000 0.000 0.723) 0.723 10.050 ( 0.000 0.000 -6.894) 6.894 10.050 ( 0.000 0.000 6.894) 6.894 10.924 ( 0.000 0.000 -2.812) 2.812 10.924 ( 0.000 0.000 2.812) 2.812 11.030 ( 0.000 0.000 -2.450) 2.450 11.030 ( 0.000 0.000 2.450) 2.450 11.121 ( 0.000 0.000 -0.522) 0.522 11.121 ( 0.000 0.000 0.522) 0.522 11.126 ( 0.000 0.000 -0.040) 0.040 11.126 ( 0.000 0.000 0.040) 0.040 11.333 ( 0.000 0.000 -1.343) 1.343 11.333 ( 0.000 0.000 1.343) 1.343 11.671 ( 0.000 0.000 -0.952) 0.952 11.671 ( 0.000 0.000 0.952) 0.952 11.753 ( 0.000 0.000 -3.348) 3.348 11.753 ( 0.000 0.000 3.348) 3.348 11.990 ( 0.000 0.000 -0.382) 0.382 11.990 ( 0.000 0.000 0.382) 0.382 12.236 ( 0.000 0.000 -6.607) 6.607 12.236 ( 0.000 0.000 6.607) 6.607 12.914 ( 0.000 0.000 -5.150) 5.150 12.914 ( 0.000 0.000 5.150) 5.150 13.050 ( 0.000 0.000 -0.356) 0.356 13.050 ( 0.000 0.000 0.356) 0.356 13.343 ( 0.000 0.000 -4.781) 4.781 13.343 ( 0.000 0.000 4.781) 4.781 13.706 ( 0.000 0.000 -0.260) 0.260 13.706 ( 0.000 0.000 0.260) 0.260 13.779 ( 0.000 0.000 -3.966) 3.966 13.779 ( 0.000 0.000 3.966) 3.966 14.166 ( 0.000 0.000 -3.749) 3.749 14.166 ( 0.000 0.000 3.749) 3.749 14.602 ( 0.000 0.000 -0.655) 0.655 14.602 ( 0.000 0.000 0.655) 0.655 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.036 0.000 -8.078) 8.078 1.145 ( -0.036 0.000 8.078) 8.078 1.804 ( 2.613 0.000 -5.918) 6.469 1.804 ( 2.613 0.000 5.918) 6.469 1.966 ( 0.662 0.000 -5.738) 5.776 1.966 ( 0.662 0.000 5.738) 5.776 2.204 ( 0.313 0.000 -4.882) 4.892 2.204 ( 0.313 0.000 4.882) 4.892 2.234 ( -0.942 0.000 -9.543) 9.590 2.234 ( -0.942 0.000 9.543) 9.590 2.593 ( -3.670 0.000 -5.721) 6.797 2.593 ( -3.670 0.000 5.721) 6.797 2.672 ( -3.611 0.000 -1.803) 4.036 2.672 ( -3.611 0.000 1.803) 4.036 3.019 ( 8.136 0.000 -7.325) 10.948 3.019 ( 8.136 0.000 7.325) 10.948 3.108 ( -1.125 0.000 -1.533) 1.902 3.108 ( -1.125 0.000 1.533) 1.902 3.187 ( 1.465 0.000 -10.797) 10.896 3.187 ( 1.465 0.000 10.797) 10.896 3.476 ( 7.554 0.000 -7.051) 10.333 3.476 ( 7.554 0.000 7.051) 10.333 3.768 ( 4.061 0.000 -16.113) 16.617 3.768 ( 4.061 0.000 16.113) 16.617 3.839 ( -8.525 0.000 -4.135) 9.475 3.839 ( -8.525 0.000 4.135) 9.475 4.073 ( -7.778 0.000 -3.965) 8.730 4.073 ( -7.778 0.000 3.965) 8.730 4.354 ( 1.291 0.000 -3.860) 4.070 4.354 ( 1.291 0.000 3.860) 4.070 4.439 ( 5.898 0.000 -7.362) 9.433 4.439 ( 5.898 0.000 7.362) 9.433 4.513 ( -7.102 0.000 -4.957) 8.661 4.513 ( -7.102 0.000 4.957) 8.661 4.717 ( -5.526 0.000 -3.617) 6.604 4.717 ( -5.526 0.000 3.617) 6.604 5.111 ( 4.724 0.000 -1.381) 4.922 5.111 ( 4.724 0.000 1.381) 4.922 5.226 ( -1.668 0.000 -3.028) 3.457 5.226 ( -1.668 0.000 3.028) 3.457 6.152 ( 4.357 0.000 -1.729) 4.687 6.152 ( 4.357 0.000 1.729) 4.687 6.207 ( 7.166 0.000 -1.605) 7.344 6.207 ( 7.166 0.000 1.605) 7.344 6.293 ( -2.031 0.000 -1.684) 2.638 6.293 ( -2.031 0.000 1.684) 2.638 6.472 ( -4.918 0.000 -3.225) 5.881 6.472 ( -4.918 0.000 3.225) 5.881 6.819 ( -0.004 0.000 -2.705) 2.705 6.819 ( -0.004 0.000 2.705) 2.705 6.939 ( 0.036 0.000 -2.946) 2.946 6.939 ( 0.036 0.000 2.946) 2.946 7.265 ( 0.568 0.000 -0.750) 0.941 7.265 ( 0.568 0.000 0.750) 0.941 7.361 ( -0.837 0.000 -0.289) 0.885 7.361 ( -0.837 0.000 0.289) 0.885 7.947 ( -0.685 0.000 -1.735) 1.866 7.947 ( -0.685 0.000 1.735) 1.866 8.226 ( -1.458 0.000 -0.577) 1.568 8.226 ( -1.458 0.000 0.577) 1.568 8.618 ( 0.067 0.000 -0.247) 0.256 8.618 ( 0.067 0.000 0.247) 0.256 8.832 ( -0.093 0.000 -0.190) 0.211 8.832 ( -0.093 0.000 0.190) 0.211 8.852 ( 0.961 0.000 -4.410) 4.513 8.852 ( 0.961 0.000 4.410) 4.513 8.948 ( -1.978 0.000 -4.416) 4.839 8.948 ( -1.978 0.000 4.416) 4.839 9.150 ( 0.178 0.000 -0.527) 0.557 9.150 ( 0.178 0.000 0.527) 0.557 9.246 ( 0.723 0.000 -0.839) 1.108 9.246 ( 0.723 0.000 0.839) 1.108 9.391 ( -0.243 0.000 -0.623) 0.669 9.391 ( -0.243 0.000 0.623) 0.669 10.058 ( 0.701 0.000 -4.820) 4.871 10.058 ( 0.701 0.000 4.820) 4.871 10.951 ( 2.573 0.000 -2.889) 3.869 10.951 ( 2.573 0.000 2.889) 3.869 11.023 ( -0.779 0.000 -3.682) 3.763 11.023 ( -0.779 0.000 3.682) 3.763 11.121 ( 0.009 0.000 -0.348) 0.348 11.121 ( 0.009 0.000 0.348) 0.348 11.127 ( 0.065 0.000 -0.015) 0.067 11.127 ( 0.065 0.000 0.015) 0.067 11.345 ( 1.252 0.000 -1.071) 1.648 11.345 ( 1.252 0.000 1.071) 1.648 11.673 ( 0.169 0.000 -0.679) 0.700 11.673 ( 0.169 0.000 0.679) 0.700 11.685 ( -5.767 0.000 -3.997) 7.017 11.685 ( -5.767 0.000 3.997) 7.017 11.990 ( 0.055 0.000 -0.276) 0.281 11.990 ( 0.055 0.000 0.276) 0.281 12.346 ( 10.174 0.000 -5.603) 11.615 12.346 ( 10.174 0.000 5.603) 11.615 12.856 ( -6.245 0.000 -4.755) 7.849 12.856 ( -6.245 0.000 4.755) 7.849 13.044 ( -0.428 0.000 -0.447) 0.619 13.044 ( -0.428 0.000 0.447) 0.619 13.338 ( -0.426 0.000 -3.343) 3.370 13.338 ( -0.426 0.000 3.343) 3.370 13.705 ( -0.125 0.000 -0.198) 0.234 13.705 ( -0.125 0.000 0.198) 0.234 13.781 ( 0.249 0.000 -2.760) 2.771 13.781 ( 0.249 0.000 2.760) 2.771 14.182 ( 1.430 0.000 -2.692) 3.049 14.182 ( 1.430 0.000 2.692) 3.049 14.591 ( -0.996 0.000 -0.548) 1.136 14.591 ( -0.996 0.000 0.548) 1.136 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 -0.000) 0.000 1.974 ( -0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 -0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 -0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 -0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 -0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.204 ( -0.000 0.000 -0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.607 ( -0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.698 ( -0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 -0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.926 ( -0.000 0.000 -0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 -0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.415 ( -0.000 0.000 0.000) 0.000 4.415 ( -0.000 0.000 0.000) 0.000 4.526 ( -0.000 0.000 -0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 5.183 ( -3.219 0.000 -1.665) 3.624 5.183 ( 3.219 0.000 -1.665) 3.624 5.183 ( -3.219 0.000 1.665) 3.624 5.183 ( 3.219 0.000 1.665) 3.624 6.235 ( -0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.237 ( -0.000 0.000 -0.000) 0.000 6.237 ( 0.000 0.000 -0.000) 0.000 6.348 ( -0.000 0.000 -0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.356 ( -0.000 0.000 -0.000) 0.000 6.356 ( -0.000 0.000 0.000) 0.000 6.819 ( -0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.940 ( -0.000 0.000 -0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.272 ( -0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.351 ( -0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 -0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.985 ( -0.000 0.000 -0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 -0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 -0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.621 ( -0.000 0.000 -0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.762 ( -0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 0.000) 0.000 13.333 ( 0.000 0.000 -0.000) 0.000 13.333 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 13.784 ( 0.000 0.000 -0.000) 0.000 13.784 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 19.017 -9.245) 21.145 1.393 ( 0.000 19.017 9.245) 21.145 1.757 ( 0.000 -0.530 -4.827) 4.856 1.757 ( 0.000 -0.530 4.827) 4.856 1.973 ( 0.000 0.595 -7.575) 7.598 1.973 ( 0.000 0.595 7.575) 7.598 2.176 ( 0.000 -2.185 -0.241) 2.198 2.176 ( 0.000 -2.185 0.241) 2.198 2.236 ( 0.000 0.721 -6.424) 6.464 2.236 ( 0.000 0.721 6.424) 6.464 2.663 ( 0.000 2.550 -3.546) 4.368 2.663 ( 0.000 2.550 3.546) 4.368 2.810 ( 0.000 -1.097 -3.158) 3.344 2.810 ( 0.000 -1.097 3.158) 3.344 2.984 ( 0.000 12.875 -8.352) 15.347 2.984 ( 0.000 12.875 8.352) 15.347 3.094 ( 0.000 -2.506 -0.176) 2.513 3.094 ( 0.000 -2.506 0.176) 2.513 3.265 ( 0.000 7.491 -6.764) 10.093 3.265 ( 0.000 7.491 6.764) 10.093 3.512 ( 0.000 8.671 -7.249) 11.302 3.512 ( 0.000 8.671 7.249) 11.302 3.788 ( 0.000 4.806 -10.276) 11.344 3.788 ( 0.000 4.806 10.276) 11.344 3.932 ( 0.000 0.604 -1.367) 1.495 3.932 ( 0.000 0.604 1.367) 1.495 4.140 ( 0.000 -0.279 -2.866) 2.879 4.140 ( 0.000 -0.279 2.866) 2.879 4.286 ( 0.000 -3.765 -4.092) 5.561 4.286 ( 0.000 -3.765 4.092) 5.561 4.426 ( 0.000 3.501 -2.887) 4.538 4.426 ( 0.000 3.501 2.887) 4.538 4.612 ( 0.000 1.589 -2.171) 2.690 4.612 ( 0.000 1.589 2.171) 2.690 4.795 ( 0.000 1.496 -1.023) 1.812 4.795 ( 0.000 1.496 1.023) 1.812 5.037 ( 0.000 -0.640 -3.499) 3.557 5.037 ( 0.000 -0.640 3.499) 3.557 5.263 ( 0.000 2.114 -4.506) 4.977 5.263 ( 0.000 2.114 4.506) 4.977 6.000 ( 0.000 -11.460 -0.429) 11.468 6.000 ( 0.000 -11.460 0.429) 11.468 6.065 ( 0.000 -3.917 -0.093) 3.918 6.065 ( 0.000 -3.917 0.093) 3.918 6.295 ( 0.000 -2.092 -0.885) 2.272 6.295 ( 0.000 -2.092 0.885) 2.272 6.434 ( 0.000 -7.529 -3.346) 8.239 6.434 ( 0.000 -7.529 3.346) 8.239 6.821 ( 0.000 0.526 -3.076) 3.121 6.821 ( 0.000 0.526 3.076) 3.121 6.937 ( 0.000 -0.151 -3.686) 3.689 6.937 ( 0.000 -0.151 3.686) 3.689 7.251 ( 0.000 -0.774 -0.210) 0.802 7.251 ( 0.000 -0.774 0.210) 0.802 7.345 ( 0.000 -2.248 -0.047) 2.249 7.345 ( 0.000 -2.248 0.047) 2.249 7.968 ( 0.000 1.068 -2.152) 2.403 7.968 ( 0.000 1.068 2.152) 2.403 8.230 ( 0.000 -1.066 -0.594) 1.220 8.230 ( 0.000 -1.066 0.594) 1.220 8.619 ( 0.000 0.444 -0.241) 0.505 8.619 ( 0.000 0.444 0.241) 0.505 8.806 ( 0.000 -1.972 -1.070) 2.243 8.806 ( 0.000 -1.972 1.070) 2.243 8.889 ( 0.000 3.104 -2.333) 3.883 8.889 ( 0.000 3.104 2.333) 3.883 8.969 ( 0.000 1.319 -3.459) 3.702 8.969 ( 0.000 1.319 3.459) 3.702 9.194 ( 0.000 1.517 -0.173) 1.527 9.194 ( 0.000 1.517 0.173) 1.527 9.244 ( 0.000 2.081 -2.332) 3.126 9.244 ( 0.000 2.081 2.332) 3.126 9.369 ( 0.000 -2.191 -0.810) 2.336 9.369 ( 0.000 -2.191 0.810) 2.336 9.945 ( 0.000 -8.951 -5.025) 10.265 9.945 ( 0.000 -8.951 5.025) 10.265 10.772 ( 0.000 -7.761 -1.224) 7.857 10.772 ( 0.000 -7.761 1.224) 7.857 10.901 ( 0.000 -6.832 -1.376) 6.969 10.901 ( 0.000 -6.832 1.376) 6.969 11.236 ( 0.000 5.138 -0.219) 5.142 11.236 ( 0.000 5.138 0.219) 5.142 11.308 ( 0.000 9.240 -0.808) 9.276 11.308 ( 0.000 9.240 0.808) 9.276 11.315 ( 0.000 -0.377 -2.019) 2.054 11.315 ( 0.000 -0.377 2.019) 2.054 11.659 ( 0.000 -1.055 -0.381) 1.121 11.659 ( 0.000 -1.055 0.381) 1.121 11.753 ( 0.000 0.053 -2.862) 2.863 11.753 ( 0.000 0.053 2.862) 2.863 11.965 ( 0.000 -2.003 -0.766) 2.145 11.965 ( 0.000 -2.003 0.766) 2.145 12.270 ( 0.000 3.079 -4.868) 5.760 12.270 ( 0.000 3.079 4.868) 5.760 12.899 ( 0.000 -1.182 -3.885) 4.061 12.899 ( 0.000 -1.182 3.885) 4.061 13.092 ( 0.000 4.400 -1.129) 4.543 13.092 ( 0.000 4.400 1.129) 4.543 13.411 ( 0.000 4.476 -3.304) 5.563 13.411 ( 0.000 4.476 3.304) 5.563 13.695 ( 0.000 0.362 -0.319) 0.483 13.695 ( 0.000 0.362 0.319) 0.483 13.845 ( 0.000 4.925 -3.859) 6.257 13.845 ( 0.000 4.925 3.859) 6.257 14.123 ( 0.000 -3.691 -3.834) 5.322 14.123 ( 0.000 -3.691 3.834) 5.322 14.521 ( 0.000 -7.076 -0.775) 7.119 14.521 ( 0.000 -7.076 0.775) 7.119 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.420 19.560 -6.631) 20.658 1.398 ( 0.420 19.560 6.631) 20.658 1.781 ( 2.298 -1.033 -3.624) 4.414 1.781 ( 2.298 -1.033 3.624) 4.414 1.961 ( -1.219 -0.929 -5.397) 5.611 1.961 ( -1.219 -0.929 5.397) 5.611 2.182 ( 0.681 -1.698 -2.776) 3.325 2.182 ( 0.681 -1.698 2.776) 3.325 2.234 ( -0.272 1.330 -5.612) 5.774 2.234 ( -0.272 1.330 5.612) 5.774 2.639 ( -2.220 3.312 -3.118) 5.062 2.639 ( -2.220 3.312 3.118) 5.062 2.795 ( -1.123 5.409 -2.995) 6.284 2.795 ( -1.123 5.409 2.995) 6.284 3.028 ( 3.658 4.661 -6.956) 9.138 3.028 ( 3.658 4.661 6.956) 9.138 3.116 ( 1.541 -0.891 -1.873) 2.584 3.116 ( 1.541 -0.891 1.873) 2.584 3.252 ( 0.590 6.686 -6.239) 9.164 3.252 ( 0.590 6.686 6.239) 9.164 3.580 ( 5.627 8.536 -6.870) 12.318 3.580 ( 5.627 8.536 6.870) 12.318 3.796 ( -2.073 2.305 -7.563) 8.173 3.796 ( -2.073 2.305 7.563) 8.173 3.860 ( -3.116 1.434 -10.467) 11.015 3.860 ( -3.116 1.434 10.467) 11.015 4.083 ( -6.323 0.826 -1.536) 6.559 4.083 ( -6.323 0.826 1.536) 6.559 4.293 ( 2.282 -3.262 -3.648) 5.399 4.293 ( 2.282 -3.262 3.648) 5.399 4.464 ( -0.514 1.374 -1.772) 2.300 4.464 ( -0.514 1.374 1.772) 2.300 4.570 ( -0.485 5.805 -1.432) 5.999 4.570 ( -0.485 5.805 1.432) 5.999 4.754 ( -4.187 2.579 -1.922) 5.280 4.754 ( -4.187 2.579 1.922) 5.280 5.089 ( 4.640 -1.471 -2.015) 5.268 5.089 ( 4.640 -1.471 2.015) 5.268 5.234 ( -2.972 0.956 -3.096) 4.397 5.234 ( -2.972 0.956 3.096) 4.397 6.058 ( 5.605 -11.563 -1.019) 12.891 6.058 ( 5.605 -11.563 1.019) 12.891 6.098 ( 3.209 -5.289 -1.125) 6.288 6.098 ( 3.209 -5.289 1.125) 6.288 6.285 ( -0.894 -2.103 -0.759) 2.408 6.285 ( -0.894 -2.103 0.759) 2.408 6.392 ( -4.497 -7.070 -2.810) 8.837 6.392 ( -4.497 -7.070 2.810) 8.837 6.824 ( 0.279 0.699 -2.519) 2.629 6.824 ( 0.279 0.699 2.519) 2.629 6.937 ( 0.031 -0.137 -2.841) 2.845 6.937 ( 0.031 -0.137 2.841) 2.845 7.255 ( 0.372 -0.911 -0.483) 1.096 7.255 ( 0.372 -0.911 0.483) 1.096 7.340 ( -0.440 -1.938 -0.228) 2.000 7.340 ( -0.440 -1.938 0.228) 2.000 7.967 ( -0.147 1.581 -1.604) 2.257 7.967 ( -0.147 1.581 1.604) 2.257 8.212 ( -1.649 -1.264 -0.523) 2.143 8.212 ( -1.649 -1.264 0.523) 2.143 8.623 ( 0.294 0.623 -0.196) 0.716 8.623 ( 0.294 0.623 0.196) 0.716 8.806 ( -0.023 -2.126 -0.771) 2.262 8.806 ( -0.023 -2.126 0.771) 2.262 8.894 ( 0.714 2.922 -2.545) 3.940 8.894 ( 0.714 2.922 2.545) 3.940 8.951 ( -1.842 1.607 -3.373) 4.165 8.951 ( -1.842 1.607 3.373) 4.165 9.203 ( 0.823 2.282 -0.402) 2.459 9.203 ( 0.823 2.282 0.402) 2.459 9.242 ( -0.323 0.886 -1.937) 2.155 9.242 ( -0.323 0.886 1.937) 2.155 9.371 ( 0.215 -1.647 -0.716) 1.809 9.371 ( 0.215 -1.647 0.716) 1.809 9.952 ( 0.615 -9.082 -3.540) 9.767 9.952 ( 0.615 -9.082 3.540) 9.767 10.791 ( 1.911 -8.041 -1.417) 8.386 10.791 ( 1.911 -8.041 1.417) 8.386 10.889 ( -1.223 -6.879 -1.454) 7.137 10.889 ( -1.223 -6.879 1.454) 7.137 11.235 ( -0.131 5.410 -0.223) 5.416 11.235 ( -0.131 5.410 0.223) 5.416 11.289 ( -0.671 3.166 -1.102) 3.419 11.289 ( -0.671 3.166 1.102) 3.419 11.358 ( 3.074 5.512 -2.659) 6.849 11.358 ( 3.074 5.512 2.659) 6.849 11.645 ( -2.165 -1.528 -1.114) 2.874 11.645 ( -2.165 -1.528 1.114) 2.874 11.714 ( -2.499 1.836 -2.929) 4.265 11.714 ( -2.499 1.836 2.929) 4.265 11.962 ( -0.169 -2.285 -0.587) 2.365 11.962 ( -0.169 -2.285 0.587) 2.365 12.371 ( 9.744 2.250 -4.443) 10.943 12.371 ( 9.744 2.250 4.443) 10.943 12.832 ( -7.044 -1.596 -3.760) 8.142 12.832 ( -7.044 -1.596 3.760) 8.142 13.092 ( 0.014 4.602 -0.904) 4.690 13.092 ( 0.014 4.602 0.904) 4.690 13.402 ( -0.722 4.222 -2.295) 4.860 13.402 ( -0.722 4.222 2.295) 4.860 13.710 ( 1.432 1.352 -0.699) 2.090 13.710 ( 1.432 1.352 0.699) 2.090 13.834 ( -1.052 4.219 -3.094) 5.337 13.834 ( -1.052 4.219 3.094) 5.337 14.142 ( 1.672 -3.459 -2.755) 4.727 14.142 ( 1.672 -3.459 2.755) 4.727 14.509 ( -1.167 -7.246 -0.643) 7.368 14.509 ( -1.167 -7.246 0.643) 7.368 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 20.036 -0.000) 20.036 1.403 ( 0.000 20.036 0.000) 20.036 1.810 ( 0.000 -1.308 0.000) 1.308 1.810 ( 0.000 -1.308 0.000) 1.308 1.945 ( 0.000 -2.488 0.000) 2.488 1.945 ( 0.000 -2.488 0.000) 2.488 2.192 ( 0.000 -1.545 -0.000) 1.545 2.192 ( 0.000 -1.545 0.000) 1.545 2.229 ( 0.000 2.031 -0.000) 2.031 2.229 ( 0.000 2.031 0.000) 2.031 2.614 ( 0.000 4.258 -0.000) 4.258 2.614 ( 0.000 4.258 0.000) 4.258 2.784 ( 0.000 9.080 -0.000) 9.080 2.784 ( 0.000 9.080 0.000) 9.080 3.067 ( 0.000 -1.936 -0.000) 1.936 3.067 ( 0.000 -1.936 0.000) 1.936 3.123 ( 0.000 3.489 -0.000) 3.489 3.123 ( 0.000 3.489 0.000) 3.489 3.286 ( 0.000 5.257 0.000) 5.257 3.286 ( 0.000 5.257 0.000) 5.257 3.650 ( 0.000 3.245 -0.000) 3.245 3.650 ( 0.000 3.245 0.000) 3.245 3.702 ( -0.000 2.785 -0.000) 2.785 3.702 ( -0.000 2.785 0.000) 2.785 3.925 ( 0.000 0.404 -0.000) 0.404 3.925 ( 0.000 0.404 0.000) 0.404 3.962 ( -0.000 4.936 -0.000) 4.936 3.962 ( -0.000 4.936 0.000) 4.936 4.364 ( 0.000 0.006 -0.000) 0.006 4.364 ( 0.000 0.006 0.000) 0.006 4.382 ( -0.000 -1.272 -0.000) 1.272 4.382 ( -0.000 -1.272 0.000) 1.272 4.621 ( -0.000 7.193 -0.000) 7.193 4.621 ( 0.000 7.193 0.000) 7.193 4.685 ( -0.000 3.746 0.000) 3.746 4.685 ( 0.000 3.746 0.000) 3.746 5.165 ( -0.000 -1.169 -0.000) 1.169 5.165 ( 0.000 -1.169 0.000) 1.169 5.173 ( -0.000 -0.773 0.000) 0.773 5.173 ( 0.000 -0.773 0.000) 0.773 6.128 ( 0.000 -9.880 0.000) 9.880 6.128 ( 0.000 -9.880 0.000) 9.880 6.140 ( 0.000 -8.875 -0.000) 8.875 6.140 ( 0.000 -8.875 -0.000) 8.875 6.286 ( -0.000 -4.928 0.000) 4.928 6.286 ( 0.000 -4.928 0.000) 4.928 6.316 ( -0.000 -3.391 0.000) 3.391 6.316 ( -0.000 -3.391 0.000) 3.391 6.827 ( 0.000 0.896 0.000) 0.896 6.827 ( 0.000 0.896 0.000) 0.896 6.937 ( 0.000 -0.154 -0.000) 0.154 6.937 ( 0.000 -0.154 0.000) 0.154 7.259 ( -0.000 -1.111 0.000) 1.111 7.259 ( 0.000 -1.111 0.000) 1.111 7.335 ( -0.000 -1.563 0.000) 1.563 7.335 ( 0.000 -1.563 0.000) 1.563 7.965 ( 0.000 2.173 0.000) 2.173 7.965 ( 0.000 2.173 0.000) 2.173 8.193 ( 0.000 -1.535 0.000) 1.535 8.193 ( 0.000 -1.535 0.000) 1.535 8.626 ( 0.000 0.807 0.000) 0.807 8.626 ( 0.000 0.807 0.000) 0.807 8.806 ( 0.000 -2.283 0.000) 2.283 8.806 ( 0.000 -2.283 0.000) 2.283 8.916 ( 0.000 4.078 0.000) 4.078 8.916 ( -0.000 4.078 0.000) 4.078 8.917 ( 0.000 0.545 -0.000) 0.545 8.917 ( 0.000 0.545 -0.000) 0.545 9.214 ( 0.000 4.375 0.000) 4.375 9.214 ( 0.000 4.375 0.000) 4.375 9.236 ( 0.000 -1.630 0.000) 1.630 9.236 ( 0.000 -1.630 0.000) 1.630 9.374 ( 0.000 -1.108 0.000) 1.108 9.374 ( 0.000 -1.108 0.000) 1.108 9.959 ( 0.000 -9.204 0.000) 9.204 9.959 ( 0.000 -9.204 0.000) 9.204 10.817 ( 0.000 -8.502 0.000) 8.502 10.817 ( 0.000 -8.502 0.000) 8.502 10.871 ( 0.000 -6.742 0.000) 6.742 10.871 ( 0.000 -6.742 0.000) 6.742 11.233 ( 0.000 5.614 0.000) 5.614 11.233 ( 0.000 5.614 0.000) 5.614 11.284 ( 0.000 2.266 0.000) 2.266 11.284 ( 0.000 2.266 0.000) 2.266 11.395 ( 0.000 6.494 0.000) 6.494 11.395 ( 0.000 6.494 0.000) 6.494 11.607 ( -0.000 -1.025 0.000) 1.025 11.607 ( 0.000 -1.025 0.000) 1.025 11.697 ( 0.000 2.068 0.000) 2.068 11.697 ( 0.000 2.068 0.000) 2.068 11.961 ( 0.000 -2.500 0.000) 2.500 11.961 ( 0.000 -2.500 0.000) 2.500 12.508 ( 0.000 2.547 0.000) 2.547 12.508 ( 0.000 2.547 0.000) 2.547 12.723 ( 0.000 -2.757 0.000) 2.757 12.723 ( -0.000 -2.757 0.000) 2.757 13.093 ( 0.000 4.735 0.000) 4.735 13.093 ( 0.000 4.735 0.000) 4.735 13.394 ( 0.000 3.998 0.000) 3.998 13.394 ( 0.000 3.998 0.000) 3.998 13.728 ( 0.000 2.681 0.000) 2.681 13.728 ( 0.000 2.681 0.000) 2.681 13.821 ( -0.000 3.146 -0.000) 3.146 13.821 ( 0.000 3.146 0.000) 3.146 14.161 ( 0.000 -3.186 0.000) 3.186 14.161 ( 0.000 -3.186 0.000) 3.186 14.495 ( 0.000 -7.463 0.000) 7.463 14.495 ( 0.000 -7.463 0.000) 7.463 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 5.145 -0.360) 5.158 1.712 ( 0.000 5.145 0.360) 5.158 1.848 ( 0.000 10.144 -3.065) 10.597 1.848 ( 0.000 10.144 3.065) 10.597 1.972 ( 0.000 -0.361 -8.519) 8.527 1.972 ( 0.000 -0.361 8.519) 8.527 2.133 ( 0.000 -1.467 -0.701) 1.626 2.133 ( 0.000 -1.467 0.701) 1.626 2.299 ( 0.000 6.476 -5.985) 8.819 2.299 ( 0.000 6.476 5.985) 8.819 2.706 ( 0.000 -1.286 -0.744) 1.486 2.706 ( 0.000 -1.286 0.744) 1.486 2.761 ( 0.000 -0.522 -1.582) 1.666 2.761 ( 0.000 -0.522 1.582) 1.666 3.005 ( 0.000 -4.853 -4.127) 6.370 3.005 ( 0.000 -4.853 4.127) 6.370 3.291 ( 0.000 11.987 -5.184) 13.060 3.291 ( 0.000 11.987 5.184) 13.060 3.444 ( 0.000 7.855 -4.700) 9.153 3.444 ( 0.000 7.855 4.700) 9.153 3.678 ( 0.000 1.954 -6.532) 6.818 3.678 ( 0.000 1.954 6.532) 6.818 3.877 ( 0.000 5.852 -1.408) 6.019 3.877 ( 0.000 5.852 1.408) 6.019 4.010 ( 0.000 4.837 -10.729) 11.769 4.010 ( 0.000 4.837 10.729) 11.769 4.111 ( 0.000 -1.391 -0.382) 1.443 4.111 ( 0.000 -1.391 0.382) 1.443 4.242 ( 0.000 1.279 -0.415) 1.344 4.242 ( 0.000 1.279 0.415) 1.344 4.520 ( 0.000 1.147 -0.528) 1.263 4.520 ( 0.000 1.147 0.528) 1.263 4.610 ( 0.000 -0.232 -0.171) 0.288 4.610 ( 0.000 -0.232 0.171) 0.288 4.869 ( 0.000 6.391 -2.220) 6.766 4.869 ( 0.000 6.391 2.220) 6.766 5.091 ( 0.000 6.566 -3.557) 7.468 5.091 ( 0.000 6.566 3.557) 7.468 5.316 ( 0.000 1.720 -3.428) 3.835 5.316 ( 0.000 1.720 3.428) 3.835 5.693 ( 0.000 -15.500 -0.220) 15.502 5.693 ( 0.000 -15.500 0.220) 15.502 5.949 ( 0.000 -6.905 -0.247) 6.909 5.949 ( 0.000 -6.905 0.247) 6.909 6.217 ( 0.000 -5.583 -1.964) 5.918 6.217 ( 0.000 -5.583 1.964) 5.918 6.241 ( 0.000 -7.129 -0.882) 7.183 6.241 ( 0.000 -7.129 0.882) 7.183 6.854 ( 0.000 2.415 -2.211) 3.275 6.854 ( 0.000 2.415 2.211) 3.275 6.935 ( 0.000 -0.059 -2.754) 2.754 6.935 ( 0.000 -0.059 2.754) 2.754 7.228 ( 0.000 -1.182 -0.313) 1.223 7.228 ( 0.000 -1.182 0.313) 1.223 7.281 ( 0.000 -3.336 -0.383) 3.358 7.281 ( 0.000 -3.336 0.383) 3.358 7.991 ( 0.000 0.845 -1.298) 1.548 7.991 ( 0.000 0.845 1.298) 1.548 8.205 ( 0.000 -1.019 -0.349) 1.077 8.205 ( 0.000 -1.019 0.349) 1.077 8.640 ( 0.000 1.355 -0.602) 1.482 8.640 ( 0.000 1.355 0.602) 1.482 8.761 ( 0.000 -1.967 -0.148) 1.973 8.761 ( 0.000 -1.967 0.148) 1.973 8.954 ( 0.000 3.063 -0.549) 3.112 8.954 ( 0.000 3.063 0.549) 3.112 9.035 ( 0.000 3.712 -1.209) 3.904 9.035 ( 0.000 3.712 1.209) 3.904 9.174 ( 0.000 -1.887 -0.453) 1.940 9.174 ( 0.000 -1.887 0.453) 1.940 9.279 ( 0.000 -3.032 -0.070) 3.032 9.279 ( 0.000 -3.032 0.070) 3.032 9.358 ( 0.000 4.115 -0.685) 4.172 9.358 ( 0.000 4.115 0.685) 4.172 9.721 ( 0.000 -10.288 -1.587) 10.409 9.721 ( 0.000 -10.288 1.587) 10.409 10.654 ( 0.000 -3.205 -0.332) 3.222 10.654 ( 0.000 -3.205 0.332) 3.222 10.779 ( 0.000 -4.124 -1.071) 4.261 10.779 ( 0.000 -4.124 1.071) 4.261 11.272 ( 0.000 -0.286 -0.335) 0.441 11.272 ( 0.000 -0.286 0.335) 0.441 11.313 ( 0.000 -0.051 -0.008) 0.051 11.313 ( 0.000 -0.051 0.008) 0.051 11.478 ( 0.000 5.214 -1.419) 5.404 11.478 ( 0.000 5.214 1.419) 5.404 11.636 ( 0.000 -0.793 -0.329) 0.859 11.636 ( 0.000 -0.793 0.329) 0.859 11.757 ( 0.000 0.252 -1.377) 1.399 11.757 ( 0.000 0.252 1.377) 1.399 11.922 ( 0.000 -1.569 -0.761) 1.744 11.922 ( 0.000 -1.569 0.761) 1.744 12.352 ( 0.000 3.794 -1.922) 4.253 12.352 ( 0.000 3.794 1.922) 4.253 12.880 ( 0.000 -0.439 -1.793) 1.846 12.880 ( 0.000 -0.439 1.793) 1.846 13.229 ( 0.000 7.547 -1.438) 7.682 13.229 ( 0.000 7.547 1.438) 7.682 13.458 ( 0.000 -0.754 -0.376) 0.843 13.458 ( 0.000 -0.754 0.376) 0.843 13.755 ( 0.000 4.986 -2.214) 5.455 13.755 ( 0.000 4.986 2.214) 5.455 13.954 ( 0.000 3.411 -1.479) 3.718 13.954 ( 0.000 3.411 1.479) 3.718 14.032 ( 0.000 -3.023 -2.588) 3.980 14.032 ( 0.000 -3.023 2.588) 3.980 14.329 ( 0.000 -9.655 -1.059) 9.713 14.329 ( 0.000 -9.655 1.059) 9.713 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 1.612 4.702 -0.653) 5.014 1.730 ( 1.612 4.702 0.653) 5.014 1.858 ( 1.114 8.671 -4.075) 9.645 1.858 ( 1.114 8.671 4.075) 9.645 1.940 ( -2.902 1.753 -7.213) 7.970 1.940 ( -2.902 1.753 7.213) 7.970 2.148 ( 1.114 -1.747 -1.331) 2.463 2.148 ( 1.114 -1.747 1.331) 2.463 2.305 ( 0.480 6.496 -5.095) 8.270 2.305 ( 0.480 6.496 5.095) 8.270 2.681 ( -1.573 -1.450 -1.351) 2.530 2.681 ( -1.573 -1.450 1.351) 2.530 2.829 ( 6.097 1.285 -3.826) 7.312 2.829 ( 6.097 1.285 3.826) 7.312 3.031 ( 1.877 -3.923 -1.927) 4.757 3.031 ( 1.877 -3.923 1.927) 4.757 3.232 ( -3.443 7.283 -2.489) 8.431 3.232 ( -3.443 7.283 2.489) 8.431 3.421 ( -3.697 7.195 -1.625) 8.251 3.421 ( -3.697 7.195 1.625) 8.251 3.740 ( 4.380 -0.608 -4.949) 6.637 3.740 ( 4.380 -0.608 4.949) 6.637 3.832 ( -6.706 5.315 -3.977) 9.436 3.832 ( -6.706 5.315 3.977) 9.436 3.936 ( -0.301 5.495 -4.259) 6.959 3.936 ( -0.301 5.495 4.259) 6.959 4.097 ( -3.785 2.034 -4.426) 6.168 4.097 ( -3.785 2.034 4.426) 6.168 4.286 ( 5.342 2.253 -0.655) 5.834 4.286 ( 5.342 2.253 0.655) 5.834 4.492 ( -3.309 -1.250 -1.331) 3.780 4.492 ( -3.309 -1.250 1.331) 3.780 4.708 ( 7.918 5.973 -1.604) 10.047 4.708 ( 7.918 5.973 1.604) 10.047 4.850 ( -1.779 7.814 -1.500) 8.153 4.850 ( -1.779 7.814 1.500) 8.153 5.099 ( 1.467 3.876 -2.886) 5.050 5.099 ( 1.467 3.876 2.886) 5.050 5.264 ( -5.158 1.347 -3.337) 6.289 5.264 ( -5.158 1.347 3.337) 6.289 5.745 ( 5.266 -16.075 -2.052) 17.040 5.745 ( 5.266 -16.075 2.052) 17.040 5.929 ( -2.474 -10.447 -0.820) 10.767 5.929 ( -2.474 -10.447 0.820) 10.767 6.201 ( -1.457 -5.050 -1.552) 5.480 6.201 ( -1.457 -5.050 1.552) 5.480 6.234 ( -0.511 -5.306 -0.602) 5.364 6.234 ( -0.511 -5.306 0.602) 5.364 6.859 ( 0.490 2.476 -1.736) 3.064 6.859 ( 0.490 2.476 1.736) 3.064 6.935 ( 0.026 -0.083 -2.093) 2.095 6.935 ( 0.026 -0.083 2.093) 2.095 7.230 ( 0.148 -1.187 -0.248) 1.222 7.230 ( 0.148 -1.187 0.248) 1.222 7.282 ( 0.109 -3.190 -0.259) 3.203 7.282 ( 0.109 -3.190 0.259) 3.203 8.004 ( 1.336 1.601 -1.086) 2.351 8.004 ( 1.336 1.601 1.086) 2.351 8.179 ( -2.497 -1.493 -0.388) 2.935 8.179 ( -2.497 -1.493 0.388) 2.935 8.647 ( 0.661 1.555 -0.487) 1.758 8.647 ( 0.661 1.555 0.487) 1.758 8.756 ( -0.424 -2.203 -0.060) 2.244 8.756 ( -0.424 -2.203 0.060) 2.244 8.954 ( 0.001 2.912 -0.499) 2.955 8.954 ( 0.001 2.912 0.499) 2.955 9.025 ( -0.968 3.838 -0.917) 4.063 9.025 ( -0.968 3.838 0.917) 4.063 9.181 ( 0.657 -2.014 -0.431) 2.162 9.181 ( 0.657 -2.014 0.431) 2.162 9.271 ( -0.681 -2.051 -0.387) 2.196 9.271 ( -0.681 -2.051 0.387) 2.196 9.373 ( 1.294 3.819 -0.563) 4.071 9.373 ( 1.294 3.819 0.563) 4.071 9.722 ( 0.076 -10.752 -1.133) 10.812 9.722 ( 0.076 -10.752 1.133) 10.812 10.671 ( 1.719 -3.189 -0.791) 3.709 10.671 ( 1.719 -3.189 0.791) 3.709 10.766 ( -1.385 -4.217 -1.078) 4.568 10.766 ( -1.385 -4.217 1.078) 4.568 11.273 ( 0.060 -0.427 -0.313) 0.533 11.273 ( 0.060 -0.427 0.313) 0.533 11.308 ( -0.453 0.249 -0.324) 0.610 11.308 ( -0.453 0.249 0.324) 0.610 11.499 ( 2.217 4.572 -1.629) 5.336 11.499 ( 2.217 4.572 1.629) 5.336 11.620 ( -1.812 -0.615 -0.337) 1.943 11.620 ( -1.812 -0.615 0.337) 1.943 11.758 ( 0.248 1.974 -1.848) 2.716 11.758 ( 0.248 1.974 1.848) 2.716 11.910 ( -1.037 -2.111 -0.840) 2.497 11.910 ( -1.037 -2.111 0.840) 2.497 12.432 ( 8.320 2.878 -2.034) 9.036 12.432 ( 8.320 2.878 2.034) 9.036 12.809 ( -7.575 -0.472 -1.870) 7.817 12.809 ( -7.575 -0.472 1.870) 7.817 13.229 ( 0.006 7.434 -1.039) 7.507 13.229 ( 0.006 7.434 1.039) 7.507 13.447 ( -0.882 -0.618 -0.363) 1.136 13.447 ( -0.882 -0.618 0.363) 1.136 13.785 ( 2.991 5.272 -2.007) 6.385 13.785 ( 2.991 5.272 2.007) 6.385 13.938 ( -1.940 4.585 -2.125) 5.413 13.938 ( -1.940 4.585 2.125) 5.413 14.052 ( 2.108 -4.016 -2.521) 5.189 14.052 ( 2.108 -4.016 2.521) 5.189 14.311 ( -1.817 -10.068 -0.919) 10.272 14.311 ( -1.817 -10.068 0.919) 10.272 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 4.781 0.000) 4.781 1.748 ( 0.000 4.781 0.000) 4.781 1.883 ( -0.000 -3.055 -0.000) 3.055 1.883 ( 0.000 -3.055 0.000) 3.055 1.896 ( 0.000 13.326 0.000) 13.326 1.896 ( 0.000 13.326 0.000) 13.326 2.159 ( 0.000 -1.976 0.000) 1.976 2.159 ( 0.000 -1.976 0.000) 1.976 2.310 ( 0.000 6.762 -0.000) 6.762 2.310 ( 0.000 6.762 0.000) 6.762 2.666 ( 0.000 -1.331 0.000) 1.331 2.666 ( 0.000 -1.331 0.000) 1.331 2.911 ( 0.000 4.591 -0.000) 4.591 2.911 ( 0.000 4.591 0.000) 4.591 3.029 ( -0.000 -1.470 0.000) 1.470 3.029 ( 0.000 -1.470 0.000) 1.470 3.246 ( 0.000 3.939 0.000) 3.939 3.246 ( 0.000 3.939 0.000) 3.939 3.336 ( -0.000 -1.069 -0.000) 1.069 3.336 ( -0.000 -1.069 0.000) 1.069 3.731 ( -0.000 3.985 -0.000) 3.985 3.731 ( 0.000 3.985 0.000) 3.985 3.807 ( -0.000 2.714 -0.000) 2.714 3.807 ( 0.000 2.714 0.000) 2.714 3.973 ( 0.000 5.269 0.000) 5.269 3.973 ( 0.000 5.269 0.000) 5.269 4.029 ( -0.000 5.010 0.000) 5.010 4.029 ( 0.000 5.010 0.000) 5.010 4.389 ( 0.000 1.011 -0.000) 1.011 4.389 ( 0.000 1.011 0.000) 1.011 4.412 ( -0.000 0.694 -0.000) 0.694 4.412 ( -0.000 0.694 0.000) 0.694 4.804 ( -0.000 9.140 -0.000) 9.140 4.804 ( 0.000 9.140 0.000) 9.140 4.816 ( -0.000 9.780 0.000) 9.780 4.816 ( 0.000 9.780 0.000) 9.780 5.156 ( -0.000 -0.521 0.000) 0.521 5.156 ( 0.000 -0.521 0.000) 0.521 5.168 ( 0.000 2.287 0.000) 2.287 5.168 ( 0.000 2.287 0.000) 2.287 5.837 ( -0.000 -15.850 0.000) 15.850 5.837 ( 0.000 -15.850 0.000) 15.850 5.868 ( -0.000 -15.178 -0.000) 15.178 5.868 ( 0.000 -15.178 0.000) 15.178 6.185 ( -0.000 -3.488 0.000) 3.488 6.185 ( 0.000 -3.488 0.000) 3.488 6.229 ( 0.000 -4.199 0.000) 4.199 6.229 ( 0.000 -4.199 0.000) 4.199 6.865 ( 0.000 2.539 0.000) 2.539 6.865 ( 0.000 2.539 0.000) 2.539 6.935 ( 0.000 -0.110 0.000) 0.110 6.935 ( 0.000 -0.110 0.000) 0.110 7.231 ( 0.000 -1.197 0.000) 1.197 7.231 ( 0.000 -1.197 0.000) 1.197 7.283 ( 0.000 -3.042 0.000) 3.042 7.283 ( 0.000 -3.042 0.000) 3.042 8.023 ( -0.000 2.953 0.000) 2.953 8.023 ( 0.000 2.953 0.000) 2.953 8.147 ( 0.000 -2.561 0.000) 2.561 8.147 ( 0.000 -2.561 0.000) 2.561 8.655 ( -0.000 1.824 0.000) 1.824 8.655 ( 0.000 1.824 0.000) 1.824 8.751 ( 0.000 -2.511 0.000) 2.511 8.751 ( 0.000 -2.511 0.000) 2.511 8.954 ( 0.000 2.744 -0.000) 2.744 8.954 ( 0.000 2.744 0.000) 2.744 9.013 ( 0.000 3.996 0.000) 3.996 9.013 ( 0.000 3.996 0.000) 3.996 9.189 ( 0.000 -2.212 0.000) 2.212 9.189 ( 0.000 -2.212 0.000) 2.212 9.264 ( 0.000 -1.327 0.000) 1.327 9.264 ( 0.000 -1.327 0.000) 1.327 9.387 ( 0.000 3.861 0.000) 3.861 9.387 ( 0.000 3.861 0.000) 3.861 9.723 ( 0.000 -11.238 0.000) 11.238 9.723 ( 0.000 -11.238 0.000) 11.238 10.696 ( 0.000 -2.894 0.000) 2.894 10.696 ( 0.000 -2.894 0.000) 2.894 10.745 ( 0.000 -4.590 0.000) 4.590 10.745 ( 0.000 -4.590 0.000) 4.590 11.273 ( 0.000 -0.619 0.000) 0.619 11.273 ( 0.000 -0.619 0.000) 0.619 11.303 ( 0.000 0.544 0.000) 0.544 11.303 ( 0.000 0.544 0.000) 0.544 11.533 ( 0.000 4.123 0.000) 4.123 11.533 ( 0.000 4.123 0.000) 4.123 11.590 ( -0.000 -0.360 0.000) 0.360 11.590 ( 0.000 -0.360 0.000) 0.360 11.763 ( 0.000 3.646 0.000) 3.646 11.763 ( 0.000 3.646 0.000) 3.646 11.899 ( 0.000 -2.983 0.000) 2.983 11.899 ( 0.000 -2.983 0.000) 2.983 12.575 ( 0.000 3.322 0.000) 3.322 12.575 ( 0.000 3.322 0.000) 3.322 12.673 ( 0.000 -1.702 0.000) 1.702 12.673 ( 0.000 -1.702 0.000) 1.702 13.230 ( 0.000 7.346 0.000) 7.346 13.230 ( 0.000 7.346 0.000) 7.346 13.438 ( 0.000 -0.514 0.000) 0.514 13.438 ( 0.000 -0.514 0.000) 0.514 13.827 ( 0.000 5.941 0.000) 5.941 13.827 ( 0.000 5.941 0.000) 5.941 13.907 ( -0.000 4.559 -0.000) 4.559 13.907 ( 0.000 4.559 0.000) 4.559 14.079 ( 0.000 -3.897 0.000) 3.897 14.079 ( 0.000 -3.897 0.000) 3.897 14.288 ( 0.000 -10.765 0.000) 10.765 14.288 ( 0.000 -10.765 0.000) 10.765 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 0.000 -0.000) 0.000 1.762 ( 0.000 0.000 -0.000) 0.000 1.927 ( 0.000 0.000 -0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 -0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 -0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 -0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 -0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 -0.000 -0.000) 0.000 3.591 ( 0.000 -0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 -0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 -0.000 0.000) 0.000 4.426 ( 0.000 -0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 -0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 -0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 -0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 -0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 -0.000 0.000) 0.000 11.294 ( 0.000 0.000 0.000) 0.000 11.294 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 13.364 ( 0.000 -0.000 0.000) 0.000 13.364 ( 0.000 -0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.873 ( 0.000 0.000 -0.000) 0.000 13.873 ( 0.000 0.000 0.000) 0.000 13.886 ( 0.000 -0.000 0.000) 0.000 13.886 ( 0.000 -0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 174 (59/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.522 0.000 -0.000) 1.522 1.776 ( 1.522 0.000 0.000) 1.522 1.875 ( -3.685 0.000 0.000) 3.685 1.875 ( -3.685 0.000 0.000) 3.685 2.044 ( 3.672 -0.000 -0.000) 3.672 2.044 ( 3.672 0.000 0.000) 3.672 2.116 ( -0.596 -0.000 0.000) 0.596 2.116 ( -0.596 0.000 0.000) 0.596 2.489 ( 1.479 0.000 0.000) 1.479 2.489 ( 1.479 0.000 0.000) 1.479 2.575 ( -2.319 -0.000 0.000) 2.319 2.575 ( -2.319 0.000 0.000) 2.319 2.856 ( 8.673 0.000 -0.000) 8.673 2.856 ( 8.673 0.000 0.000) 8.673 2.975 ( 2.760 0.000 0.000) 2.760 2.975 ( 2.760 0.000 0.000) 2.760 3.324 ( -7.825 0.000 0.000) 7.825 3.324 ( -7.825 0.000 0.000) 7.825 3.490 ( -11.464 0.000 0.000) 11.464 3.490 ( -11.464 0.000 0.000) 11.464 3.692 ( 7.494 0.000 0.000) 7.494 3.692 ( 7.494 0.000 0.000) 7.494 3.867 ( -6.095 0.000 0.000) 6.095 3.867 ( -6.095 0.000 0.000) 6.095 4.087 ( 1.202 0.000 0.000) 1.202 4.087 ( 1.202 -0.000 0.000) 1.202 4.138 ( -0.527 0.000 0.000) 0.527 4.138 ( -0.527 0.000 0.000) 0.527 4.320 ( 2.859 0.000 0.000) 2.859 4.320 ( 2.859 0.000 0.000) 2.859 4.427 ( -1.003 -0.000 0.000) 1.003 4.427 ( -1.003 0.000 0.000) 1.003 4.784 ( 11.046 0.000 0.000) 11.046 4.784 ( 11.046 0.000 0.000) 11.046 4.996 ( -0.112 0.000 0.000) 0.112 4.996 ( -0.112 0.000 0.000) 0.112 5.225 ( -1.723 -0.000 0.000) 1.723 5.225 ( -1.723 0.000 0.000) 1.723 5.256 ( -3.307 0.000 0.000) 3.307 5.256 ( -3.307 0.000 0.000) 3.307 5.502 ( 3.788 -0.000 -0.000) 3.788 5.502 ( 3.788 0.000 0.000) 3.788 5.758 ( -7.438 -0.000 0.000) 7.438 5.758 ( -7.438 0.000 0.000) 7.438 6.145 ( 1.083 0.000 0.000) 1.083 6.145 ( 1.083 0.000 0.000) 1.083 6.172 ( -0.431 -0.000 0.000) 0.431 6.172 ( -0.431 0.000 0.000) 0.431 6.903 ( 0.795 0.000 0.000) 0.795 6.903 ( 0.795 0.000 0.000) 0.795 6.928 ( -0.270 -0.000 0.000) 0.270 6.928 ( -0.270 0.000 0.000) 0.270 7.218 ( 0.538 0.000 0.000) 0.538 7.218 ( 0.538 0.000 0.000) 0.538 7.233 ( -0.125 0.000 0.000) 0.125 7.233 ( -0.125 0.000 0.000) 0.125 8.024 ( 2.592 0.000 0.000) 2.592 8.024 ( 2.592 0.000 0.000) 2.592 8.160 ( -3.462 -0.000 0.000) 3.462 8.160 ( -3.462 0.000 0.000) 3.462 8.673 ( 1.257 0.000 0.000) 1.257 8.673 ( 1.257 0.000 0.000) 1.257 8.725 ( -1.071 0.000 0.000) 1.071 8.725 ( -1.071 0.000 0.000) 1.071 9.010 ( 0.273 0.000 0.000) 0.273 9.010 ( 0.273 0.000 0.000) 0.273 9.049 ( -1.339 -0.000 0.000) 1.339 9.049 ( -1.339 0.000 0.000) 1.339 9.183 ( 0.844 0.000 0.000) 0.844 9.183 ( 0.844 0.000 0.000) 0.844 9.208 ( -0.111 -0.000 0.000) 0.111 9.208 ( -0.111 0.000 0.000) 0.111 9.464 ( 2.512 0.000 0.000) 2.512 9.464 ( 2.512 0.000 0.000) 2.512 9.559 ( -1.724 -0.000 0.000) 1.724 9.559 ( -1.724 0.000 0.000) 1.724 10.640 ( 1.892 0.000 0.000) 1.892 10.640 ( 1.892 0.000 0.000) 1.892 10.718 ( -1.614 0.000 0.000) 1.614 10.718 ( -1.614 0.000 0.000) 1.614 11.279 ( 0.095 -0.000 0.000) 0.095 11.279 ( 0.095 0.000 0.000) 0.095 11.290 ( -0.394 0.000 0.000) 0.394 11.290 ( -0.394 0.000 0.000) 0.394 11.547 ( 1.505 0.000 0.000) 1.505 11.547 ( 1.505 0.000 0.000) 1.505 11.615 ( -1.449 0.000 0.000) 1.449 11.615 ( -1.449 0.000 0.000) 1.449 11.783 ( 2.421 0.000 0.000) 2.421 11.783 ( 2.421 0.000 0.000) 2.421 11.885 ( -2.170 0.000 0.000) 2.170 11.885 ( -2.170 0.000 0.000) 2.170 12.468 ( 7.480 0.000 0.000) 7.480 12.468 ( 7.480 0.000 0.000) 7.480 12.806 ( -7.601 0.000 0.000) 7.601 12.806 ( -7.601 0.000 0.000) 7.601 13.364 ( 0.185 -0.000 0.000) 0.185 13.364 ( 0.185 -0.000 0.000) 0.185 13.393 ( -1.002 0.000 0.000) 1.002 13.393 ( -1.002 0.000 0.000) 1.002 13.899 ( 2.662 0.000 0.000) 2.662 13.899 ( 2.662 0.000 -0.000) 2.662 13.920 ( 3.102 -0.000 0.000) 3.102 13.920 ( 3.102 -0.000 0.000) 3.102 14.071 ( -1.223 0.000 0.000) 1.223 14.071 ( -1.223 0.000 0.000) 1.223 14.145 ( -3.186 0.000 0.000) 3.186 14.145 ( -3.186 0.000 0.000) 3.186 ======================= Grid point 178 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 2.86e-04 2.86e-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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -1.255 -2.822 0.000) 3.089 1.816 ( -1.255 -2.822 0.000) 3.089 1.816 ( 1.255 2.822 -0.000) 3.089 1.816 ( 1.255 2.822 0.000) 3.089 2.094 ( -0.400 -4.558 0.000) 4.576 2.094 ( -0.400 -4.558 0.000) 4.576 2.094 ( 0.400 4.558 -0.000) 4.576 2.094 ( 0.400 4.558 0.000) 4.576 2.530 ( -0.360 -10.596 0.000) 10.603 2.530 ( -0.360 -10.596 0.000) 10.603 2.530 ( 0.360 10.596 0.000) 10.603 2.530 ( 0.360 10.596 0.000) 10.603 2.996 ( -1.810 -1.963 -0.000) 2.670 2.996 ( -1.810 -1.963 0.000) 2.670 2.996 ( 1.810 1.963 0.000) 2.670 2.996 ( 1.810 1.963 0.000) 2.670 3.284 ( -5.574 -1.129 0.000) 5.687 3.284 ( -5.574 -1.129 0.000) 5.687 3.284 ( 5.574 1.129 0.000) 5.687 3.284 ( 5.574 1.129 0.000) 5.687 3.790 ( -2.775 -1.429 0.000) 3.121 3.790 ( -2.775 -1.429 0.000) 3.121 3.790 ( 2.775 1.429 0.000) 3.121 3.790 ( 2.775 1.429 0.000) 3.121 4.115 ( -0.537 -2.718 0.000) 2.771 4.115 ( -0.537 -2.718 0.000) 2.771 4.115 ( 0.537 2.718 0.000) 2.771 4.115 ( 0.537 2.718 0.000) 2.771 4.383 ( -3.662 -0.003 0.000) 3.662 4.383 ( -3.662 -0.003 0.000) 3.662 4.383 ( 3.662 0.003 0.000) 3.662 4.383 ( 3.662 0.003 0.000) 3.662 4.952 ( -5.066 -1.249 0.000) 5.218 4.952 ( -5.066 -1.249 0.000) 5.218 4.952 ( 5.066 1.249 0.000) 5.218 4.952 ( 5.066 1.249 0.000) 5.218 5.210 ( -0.101 -3.538 0.000) 3.539 5.210 ( -0.101 -3.538 0.000) 3.539 5.210 ( 0.101 3.538 0.000) 3.539 5.210 ( 0.101 3.538 0.000) 3.539 5.610 ( -7.080 -1.189 0.000) 7.179 5.610 ( -7.080 -1.189 0.000) 7.179 5.610 ( 7.080 1.189 0.000) 7.179 5.610 ( 7.080 1.189 0.000) 7.179 6.162 ( -0.193 -1.363 0.000) 1.377 6.162 ( -0.193 -1.363 0.000) 1.377 6.162 ( 0.193 1.363 0.000) 1.377 6.162 ( 0.193 1.363 0.000) 1.377 6.918 ( -0.169 -1.781 0.000) 1.789 6.918 ( -0.169 -1.781 0.000) 1.789 6.918 ( 0.169 1.781 0.000) 1.789 6.918 ( 0.169 1.781 0.000) 1.789 7.228 ( -0.073 -1.347 0.000) 1.349 7.228 ( -0.073 -1.347 0.000) 1.349 7.228 ( 0.073 1.347 0.000) 1.349 7.228 ( 0.073 1.347 0.000) 1.349 8.087 ( -2.552 -2.382 0.000) 3.491 8.087 ( -2.552 -2.382 0.000) 3.491 8.087 ( 2.552 2.382 0.000) 3.491 8.087 ( 2.552 2.382 0.000) 3.491 8.700 ( -0.538 -2.126 0.000) 2.193 8.700 ( -0.538 -2.126 0.000) 2.193 8.700 ( 0.538 2.126 0.000) 2.193 8.700 ( 0.538 2.126 0.000) 2.193 9.024 ( -0.271 -2.848 0.000) 2.861 9.024 ( -0.271 -2.848 0.000) 2.861 9.024 ( 0.271 2.848 0.000) 2.861 9.024 ( 0.271 2.848 0.000) 2.861 9.199 ( -0.101 -3.218 0.000) 3.219 9.199 ( -0.101 -3.218 0.000) 3.219 9.199 ( 0.101 3.218 0.000) 3.219 9.199 ( 0.101 3.218 0.000) 3.219 9.516 ( -0.587 -7.577 0.000) 7.600 9.516 ( -0.587 -7.577 0.000) 7.600 9.516 ( 0.587 7.577 0.000) 7.600 9.516 ( 0.587 7.577 0.000) 7.600 10.681 ( -1.709 -0.920 0.000) 1.941 10.681 ( -1.709 -0.920 0.000) 1.941 10.681 ( 1.709 0.920 0.000) 1.941 10.681 ( 1.709 0.920 0.000) 1.941 11.283 ( -0.043 -1.353 0.000) 1.354 11.283 ( -0.043 -1.353 0.000) 1.354 11.283 ( 0.043 1.353 0.000) 1.354 11.283 ( 0.043 1.353 0.000) 1.354 11.581 ( -1.673 -0.600 0.000) 1.777 11.581 ( -1.673 -0.600 0.000) 1.777 11.581 ( 1.673 0.600 0.000) 1.777 11.581 ( 1.673 0.600 0.000) 1.777 11.835 ( -1.512 -2.663 0.000) 3.062 11.835 ( -1.512 -2.663 0.000) 3.062 11.835 ( 1.512 2.663 0.000) 3.062 11.835 ( 1.512 2.663 0.000) 3.062 12.636 ( -9.887 -0.802 0.000) 9.920 12.636 ( -9.887 -0.802 0.000) 9.920 12.636 ( 9.887 0.802 0.000) 9.920 12.636 ( 9.887 0.802 0.000) 9.920 13.374 ( -0.081 -5.241 0.000) 5.242 13.374 ( -0.081 -5.241 0.000) 5.242 13.374 ( 0.081 5.241 0.000) 5.242 13.374 ( 0.081 5.241 0.000) 5.242 13.944 ( -0.257 -3.761 0.000) 3.770 13.944 ( -0.257 -3.761 0.000) 3.770 13.944 ( 0.257 3.761 0.000) 3.770 13.944 ( 0.257 3.761 0.000) 3.770 14.080 ( -0.663 -6.829 0.000) 6.861 14.080 ( -0.663 -6.829 0.000) 6.861 14.080 ( 0.663 6.829 -0.000) 6.861 14.080 ( 0.663 6.829 0.000) 6.861 =================== 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 3/20736 10.0 132.254 151.162 167.545 0.000 0.000 -0.000 3/20736 20.0 38.863 47.035 29.321 0.000 0.000 0.000 3/20736 30.0 15.915 19.893 11.462 0.000 0.000 0.000 3/20736 40.0 8.716 11.199 6.594 0.000 0.000 0.000 3/20736 50.0 5.664 7.502 4.586 0.000 0.000 0.000 3/20736 60.0 4.083 5.562 3.525 0.000 0.000 0.000 3/20736 70.0 3.147 4.390 2.871 0.000 0.000 0.000 3/20736 80.0 2.540 3.614 2.426 0.000 0.000 0.000 3/20736 90.0 2.120 3.066 2.102 0.000 0.000 0.000 3/20736 100.0 1.814 2.660 1.857 0.000 0.000 0.000 3/20736 110.0 1.584 2.349 1.663 0.000 0.000 0.000 3/20736 120.0 1.405 2.103 1.507 0.000 0.000 0.000 3/20736 130.0 1.263 1.905 1.378 0.000 0.000 0.000 3/20736 140.0 1.147 1.742 1.270 0.000 0.000 0.000 3/20736 150.0 1.051 1.606 1.179 0.000 0.000 0.000 3/20736 160.0 0.970 1.490 1.100 0.000 0.000 0.000 3/20736 170.0 0.901 1.390 1.031 0.000 0.000 0.000 3/20736 180.0 0.842 1.304 0.971 0.000 0.000 0.000 3/20736 190.0 0.790 1.228 0.917 0.000 0.000 0.000 3/20736 200.0 0.744 1.161 0.870 0.000 0.000 0.000 3/20736 210.0 0.704 1.101 0.827 0.000 0.000 0.000 3/20736 220.0 0.668 1.047 0.788 0.000 0.000 0.000 3/20736 230.0 0.636 0.999 0.753 0.000 0.000 0.000 3/20736 240.0 0.606 0.955 0.721 0.000 0.000 0.000 3/20736 250.0 0.580 0.915 0.692 0.000 0.000 0.000 3/20736 260.0 0.555 0.878 0.665 0.000 0.000 0.000 3/20736 270.0 0.533 0.844 0.640 0.000 0.000 0.000 3/20736 280.0 0.513 0.813 0.617 0.000 0.000 0.000 3/20736 290.0 0.494 0.784 0.595 0.000 0.000 0.000 3/20736 300.0 0.476 0.757 0.575 0.000 0.000 0.000 3/20736 310.0 0.460 0.732 0.556 0.000 0.000 0.000 3/20736 320.0 0.445 0.709 0.539 0.000 0.000 0.000 3/20736 330.0 0.431 0.687 0.522 0.000 0.000 0.000 3/20736 340.0 0.417 0.666 0.507 0.000 0.000 0.000 3/20736 350.0 0.405 0.647 0.493 0.000 0.000 0.000 3/20736 360.0 0.393 0.629 0.479 0.000 0.000 0.000 3/20736 370.0 0.382 0.612 0.466 0.000 0.000 0.000 3/20736 380.0 0.372 0.595 0.454 0.000 0.000 0.000 3/20736 390.0 0.362 0.580 0.442 0.000 0.000 0.000 3/20736 400.0 0.352 0.565 0.431 0.000 0.000 0.000 3/20736 410.0 0.344 0.551 0.420 0.000 0.000 0.000 3/20736 420.0 0.335 0.538 0.410 0.000 0.000 0.000 3/20736 430.0 0.327 0.525 0.401 0.000 0.000 0.000 3/20736 440.0 0.319 0.513 0.392 0.000 0.000 0.000 3/20736 450.0 0.312 0.502 0.383 0.000 0.000 0.000 3/20736 460.0 0.305 0.491 0.375 0.000 0.000 0.000 3/20736 470.0 0.299 0.481 0.367 0.000 0.000 0.000 3/20736 480.0 0.292 0.471 0.359 0.000 0.000 0.000 3/20736 490.0 0.286 0.461 0.352 0.000 0.000 0.000 3/20736 500.0 0.280 0.452 0.345 0.000 0.000 0.000 3/20736 510.0 0.275 0.443 0.338 0.000 0.000 0.000 3/20736 520.0 0.269 0.434 0.332 0.000 0.000 0.000 3/20736 530.0 0.264 0.426 0.325 0.000 0.000 0.000 3/20736 540.0 0.259 0.418 0.319 0.000 0.000 0.000 3/20736 550.0 0.254 0.411 0.314 0.000 0.000 0.000 3/20736 560.0 0.250 0.403 0.308 0.000 0.000 0.000 3/20736 570.0 0.245 0.396 0.303 0.000 0.000 0.000 3/20736 580.0 0.241 0.389 0.297 0.000 0.000 0.000 3/20736 590.0 0.237 0.383 0.292 0.000 0.000 0.000 3/20736 600.0 0.233 0.376 0.288 0.000 0.000 0.000 3/20736 610.0 0.229 0.370 0.283 0.000 0.000 0.000 3/20736 620.0 0.225 0.364 0.278 0.000 0.000 0.000 3/20736 630.0 0.222 0.358 0.274 0.000 0.000 0.000 3/20736 640.0 0.218 0.353 0.270 0.000 0.000 0.000 3/20736 650.0 0.215 0.347 0.265 0.000 0.000 0.000 3/20736 660.0 0.212 0.342 0.261 0.000 0.000 0.000 3/20736 670.0 0.208 0.337 0.258 0.000 0.000 0.000 3/20736 680.0 0.205 0.332 0.254 0.000 0.000 0.000 3/20736 690.0 0.202 0.327 0.250 0.000 0.000 0.000 3/20736 700.0 0.199 0.323 0.247 0.000 0.000 0.000 3/20736 710.0 0.197 0.318 0.243 0.000 0.000 0.000 3/20736 720.0 0.194 0.314 0.240 0.000 0.000 0.000 3/20736 730.0 0.191 0.309 0.236 0.000 0.000 0.000 3/20736 740.0 0.189 0.305 0.233 0.000 0.000 0.000 3/20736 750.0 0.186 0.301 0.230 0.000 0.000 0.000 3/20736 760.0 0.184 0.297 0.227 0.000 0.000 0.000 3/20736 770.0 0.181 0.293 0.224 0.000 0.000 0.000 3/20736 780.0 0.179 0.290 0.221 0.000 0.000 0.000 3/20736 790.0 0.176 0.286 0.219 0.000 0.000 0.000 3/20736 800.0 0.174 0.282 0.216 0.000 0.000 0.000 3/20736 810.0 0.172 0.279 0.213 0.000 0.000 0.000 3/20736 820.0 0.170 0.276 0.211 0.000 0.000 0.000 3/20736 830.0 0.168 0.272 0.208 0.000 0.000 0.000 3/20736 840.0 0.166 0.269 0.206 0.000 0.000 0.000 3/20736 850.0 0.164 0.266 0.203 0.000 0.000 0.000 3/20736 860.0 0.162 0.263 0.201 0.000 0.000 0.000 3/20736 870.0 0.160 0.260 0.199 0.000 0.000 0.000 3/20736 880.0 0.158 0.257 0.196 0.000 0.000 0.000 3/20736 890.0 0.157 0.254 0.194 0.000 0.000 0.000 3/20736 900.0 0.155 0.251 0.192 0.000 0.000 0.000 3/20736 910.0 0.153 0.248 0.190 0.000 0.000 0.000 3/20736 920.0 0.151 0.246 0.188 0.000 0.000 0.000 3/20736 930.0 0.150 0.243 0.186 0.000 0.000 0.000 3/20736 940.0 0.148 0.240 0.184 0.000 0.000 0.000 3/20736 950.0 0.147 0.238 0.182 0.000 0.000 0.000 3/20736 960.0 0.145 0.235 0.180 0.000 0.000 0.000 3/20736 970.0 0.144 0.233 0.178 0.000 0.000 0.000 3/20736 980.0 0.142 0.231 0.176 0.000 0.000 0.000 3/20736 990.0 0.141 0.228 0.175 0.000 0.000 0.000 3/20736 1000.0 0.139 0.226 0.173 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m468.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:57:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|