----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:28:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.326731630515447 0.000000000000000 0.000000000000000 b 0.000000000000000 5.768084000000000 0.000000000000000 c -2.737564903960412 0.000000000000000 6.430433105823447 Atomic positions (fractional): *1 K 0.42861719153034 0.75000000000000 0.29266163079781 39.098 2 K 0.57138280846966 0.25000000000000 0.70733836920219 39.098 *3 Ho 0.11188026181804 0.75000000000000 0.67862423402024 164.930 4 Ho 0.88811973818196 0.25000000000000 0.32137576597976 164.930 *5 Be 0.73174684190140 0.75000000000000 0.96288779673518 9.012 6 Be 0.26825315809860 0.25000000000000 0.03711220326482 9.012 *7 F 0.50771132250717 0.75000000000000 0.75967212500472 18.998 *8 F 0.26833311460820 0.46680644104595 0.90448712546569 18.998 9 F 0.73166688539180 0.53319355895405 0.09551287453431 18.998 *10 F 0.17903486477363 0.49803512344370 0.46489063391341 18.998 11 F 0.82096513522637 0.50196487655630 0.53510936608659 18.998 12 F 0.82096513522637 0.99803512344370 0.53510936608659 18.998 13 F 0.17903486477363 0.00196487655630 0.46489063391341 18.998 *14 F 0.05707432482659 0.25000000000000 0.09347295175982 18.998 15 F 0.26833311460820 0.03319355895405 0.90448712546569 18.998 16 F 0.73166688539180 0.96680644104595 0.09551287453431 18.998 17 F 0.94292567517341 0.75000000000000 0.90652704824018 18.998 18 F 0.49228867749283 0.25000000000000 0.24032787499528 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.326731630515447 0.000000000000000 0.000000000000000 b 0.000000000000000 5.768084000000000 0.000000000000000 c -2.737564903960412 0.000000000000000 6.430433105823447 Atomic positions (fractional): *1 K 0.42861719153034 0.75000000000000 0.29266163079781 39.098 > 1 2 K 0.57138280846966 0.25000000000000 0.70733836920219 39.098 > 2 *3 Ho 0.11188026181804 0.75000000000000 0.67862423402024 164.930 > 3 4 Ho 0.88811973818196 0.25000000000000 0.32137576597976 164.930 > 4 *5 Be 0.73174684190140 0.75000000000000 0.96288779673518 9.012 > 5 6 Be 0.26825315809860 0.25000000000000 0.03711220326482 9.012 > 6 *7 F 0.50771132250717 0.75000000000000 0.75967212500472 18.998 > 7 *8 F 0.26833311460820 0.46680644104595 0.90448712546569 18.998 > 8 9 F 0.73166688539180 0.53319355895405 0.09551287453431 18.998 > 9 *10 F 0.17903486477363 0.49803512344370 0.46489063391341 18.998 > 10 11 F 0.82096513522637 0.50196487655630 0.53510936608659 18.998 > 11 12 F 0.82096513522637 0.99803512344370 0.53510936608659 18.998 > 12 13 F 0.17903486477363 0.00196487655630 0.46489063391341 18.998 > 13 *14 F 0.05707432482659 0.25000000000000 0.09347295175982 18.998 > 14 15 F 0.26833311460820 0.03319355895405 0.90448712546569 18.998 > 15 16 F 0.73166688539180 0.96680644104595 0.09551287453431 18.998 > 16 17 F 0.94292567517341 0.75000000000000 0.90652704824018 18.998 > 17 18 F 0.49228867749283 0.25000000000000 0.24032787499528 18.998 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.653463261030893 0.000000000000000 0.000000000000000 b 0.000000000000000 11.536168000000000 0.000000000000000 c -5.475129807920824 0.000000000000000 12.860866211646893 Atomic positions (fractional): *1 K 0.21430859576517 0.37500000000000 0.14633081539891 39.098 > 1 2 K 0.71430859576517 0.37500000000000 0.14633081539891 39.098 > 1 3 K 0.21430859576517 0.87500000000000 0.14633081539891 39.098 > 1 4 K 0.71430859576517 0.87500000000000 0.14633081539891 39.098 > 1 5 K 0.21430859576517 0.37500000000000 0.64633081539891 39.098 > 1 6 K 0.71430859576517 0.37500000000000 0.64633081539891 39.098 > 1 7 K 0.21430859576517 0.87500000000000 0.64633081539891 39.098 > 1 8 K 0.71430859576517 0.87500000000000 0.64633081539891 39.098 > 1 9 K 0.28569140423483 0.12500000000000 0.35366918460109 39.098 > 2 10 K 0.78569140423483 0.12500000000000 0.35366918460109 39.098 > 2 11 K 0.28569140423483 0.62500000000000 0.35366918460109 39.098 > 2 12 K 0.78569140423483 0.62500000000000 0.35366918460109 39.098 > 2 13 K 0.28569140423483 0.12500000000000 0.85366918460109 39.098 > 2 14 K 0.78569140423483 0.12500000000000 0.85366918460109 39.098 > 2 15 K 0.28569140423483 0.62500000000000 0.85366918460109 39.098 > 2 16 K 0.78569140423483 0.62500000000000 0.85366918460109 39.098 > 2 *17 Ho 0.05594013090902 0.37500000000000 0.33931211701012 164.930 > 3 18 Ho 0.55594013090902 0.37500000000000 0.33931211701012 164.930 > 3 19 Ho 0.05594013090902 0.87500000000000 0.33931211701012 164.930 > 3 20 Ho 0.55594013090902 0.87500000000000 0.33931211701012 164.930 > 3 21 Ho 0.05594013090902 0.37500000000000 0.83931211701012 164.930 > 3 22 Ho 0.55594013090902 0.37500000000000 0.83931211701012 164.930 > 3 23 Ho 0.05594013090902 0.87500000000000 0.83931211701012 164.930 > 3 24 Ho 0.55594013090902 0.87500000000000 0.83931211701012 164.930 > 3 25 Ho 0.44405986909098 0.12500000000000 0.16068788298988 164.930 > 4 26 Ho 0.94405986909098 0.12500000000000 0.16068788298988 164.930 > 4 27 Ho 0.44405986909098 0.62500000000000 0.16068788298988 164.930 > 4 28 Ho 0.94405986909098 0.62500000000000 0.16068788298988 164.930 > 4 29 Ho 0.44405986909098 0.12500000000000 0.66068788298988 164.930 > 4 30 Ho 0.94405986909098 0.12500000000000 0.66068788298988 164.930 > 4 31 Ho 0.44405986909098 0.62500000000000 0.66068788298988 164.930 > 4 32 Ho 0.94405986909098 0.62500000000000 0.66068788298988 164.930 > 4 *33 Be 0.36587342095070 0.37500000000000 0.48144389836759 9.012 > 5 34 Be 0.86587342095070 0.37500000000000 0.48144389836759 9.012 > 5 35 Be 0.36587342095070 0.87500000000000 0.48144389836759 9.012 > 5 36 Be 0.86587342095070 0.87500000000000 0.48144389836759 9.012 > 5 37 Be 0.36587342095070 0.37500000000000 0.98144389836759 9.012 > 5 38 Be 0.86587342095070 0.37500000000000 0.98144389836759 9.012 > 5 39 Be 0.36587342095070 0.87500000000000 0.98144389836759 9.012 > 5 40 Be 0.86587342095070 0.87500000000000 0.98144389836759 9.012 > 5 41 Be 0.13412657904930 0.12500000000000 0.01855610163241 9.012 > 6 42 Be 0.63412657904930 0.12500000000000 0.01855610163241 9.012 > 6 43 Be 0.13412657904930 0.62500000000000 0.01855610163241 9.012 > 6 44 Be 0.63412657904930 0.62500000000000 0.01855610163241 9.012 > 6 45 Be 0.13412657904930 0.12500000000000 0.51855610163241 9.012 > 6 46 Be 0.63412657904930 0.12500000000000 0.51855610163241 9.012 > 6 47 Be 0.13412657904930 0.62500000000000 0.51855610163241 9.012 > 6 48 Be 0.63412657904930 0.62500000000000 0.51855610163241 9.012 > 6 *49 F 0.25385566125359 0.37500000000000 0.37983606250236 18.998 > 7 50 F 0.75385566125359 0.37500000000000 0.37983606250236 18.998 > 7 51 F 0.25385566125359 0.87500000000000 0.37983606250236 18.998 > 7 52 F 0.75385566125359 0.87500000000000 0.37983606250236 18.998 > 7 53 F 0.25385566125359 0.37500000000000 0.87983606250236 18.998 > 7 54 F 0.75385566125359 0.37500000000000 0.87983606250236 18.998 > 7 55 F 0.25385566125359 0.87500000000000 0.87983606250236 18.998 > 7 56 F 0.75385566125359 0.87500000000000 0.87983606250236 18.998 > 7 *57 F 0.13416655730410 0.23340322052298 0.45224356273285 18.998 > 8 58 F 0.63416655730410 0.23340322052298 0.45224356273285 18.998 > 8 59 F 0.13416655730410 0.73340322052298 0.45224356273285 18.998 > 8 60 F 0.63416655730410 0.73340322052298 0.45224356273285 18.998 > 8 61 F 0.13416655730410 0.23340322052298 0.95224356273285 18.998 > 8 62 F 0.63416655730410 0.23340322052298 0.95224356273285 18.998 > 8 63 F 0.13416655730410 0.73340322052298 0.95224356273285 18.998 > 8 64 F 0.63416655730410 0.73340322052298 0.95224356273285 18.998 > 8 65 F 0.36583344269590 0.26659677947702 0.04775643726715 18.998 > 9 66 F 0.86583344269590 0.26659677947702 0.04775643726715 18.998 > 9 67 F 0.36583344269590 0.76659677947702 0.04775643726715 18.998 > 9 68 F 0.86583344269590 0.76659677947702 0.04775643726715 18.998 > 9 69 F 0.36583344269590 0.26659677947702 0.54775643726715 18.998 > 9 70 F 0.86583344269590 0.26659677947702 0.54775643726715 18.998 > 9 71 F 0.36583344269590 0.76659677947702 0.54775643726715 18.998 > 9 72 F 0.86583344269590 0.76659677947702 0.54775643726715 18.998 > 9 *73 F 0.08951743238681 0.24901756172185 0.23244531695671 18.998 > 10 74 F 0.58951743238681 0.24901756172185 0.23244531695671 18.998 > 10 75 F 0.08951743238681 0.74901756172185 0.23244531695671 18.998 > 10 76 F 0.58951743238681 0.74901756172185 0.23244531695671 18.998 > 10 77 F 0.08951743238681 0.24901756172185 0.73244531695671 18.998 > 10 78 F 0.58951743238681 0.24901756172185 0.73244531695671 18.998 > 10 79 F 0.08951743238681 0.74901756172185 0.73244531695671 18.998 > 10 80 F 0.58951743238681 0.74901756172185 0.73244531695671 18.998 > 10 81 F 0.41048256761319 0.25098243827815 0.26755468304329 18.998 > 11 82 F 0.91048256761319 0.25098243827815 0.26755468304329 18.998 > 11 83 F 0.41048256761319 0.75098243827815 0.26755468304329 18.998 > 11 84 F 0.91048256761319 0.75098243827815 0.26755468304329 18.998 > 11 85 F 0.41048256761319 0.25098243827815 0.76755468304329 18.998 > 11 86 F 0.91048256761319 0.25098243827815 0.76755468304329 18.998 > 11 87 F 0.41048256761319 0.75098243827815 0.76755468304329 18.998 > 11 88 F 0.91048256761319 0.75098243827815 0.76755468304329 18.998 > 11 89 F 0.41048256761319 0.49901756172185 0.26755468304329 18.998 > 12 90 F 0.91048256761319 0.49901756172185 0.26755468304329 18.998 > 12 91 F 0.41048256761319 0.99901756172185 0.26755468304329 18.998 > 12 92 F 0.91048256761319 0.99901756172185 0.26755468304329 18.998 > 12 93 F 0.41048256761319 0.49901756172185 0.76755468304329 18.998 > 12 94 F 0.91048256761319 0.49901756172185 0.76755468304329 18.998 > 12 95 F 0.41048256761319 0.99901756172185 0.76755468304329 18.998 > 12 96 F 0.91048256761319 0.99901756172185 0.76755468304329 18.998 > 12 97 F 0.08951743238681 0.00098243827815 0.23244531695671 18.998 > 13 98 F 0.58951743238681 0.00098243827815 0.23244531695671 18.998 > 13 99 F 0.08951743238681 0.50098243827815 0.23244531695671 18.998 > 13 100 F 0.58951743238681 0.50098243827815 0.23244531695671 18.998 > 13 101 F 0.08951743238681 0.00098243827815 0.73244531695671 18.998 > 13 102 F 0.58951743238681 0.00098243827815 0.73244531695671 18.998 > 13 103 F 0.08951743238681 0.50098243827815 0.73244531695671 18.998 > 13 104 F 0.58951743238681 0.50098243827815 0.73244531695671 18.998 > 13 *105 F 0.02853716241329 0.12500000000000 0.04673647587991 18.998 > 14 106 F 0.52853716241329 0.12500000000000 0.04673647587991 18.998 > 14 107 F 0.02853716241329 0.62500000000000 0.04673647587991 18.998 > 14 108 F 0.52853716241329 0.62500000000000 0.04673647587991 18.998 > 14 109 F 0.02853716241329 0.12500000000000 0.54673647587991 18.998 > 14 110 F 0.52853716241329 0.12500000000000 0.54673647587991 18.998 > 14 111 F 0.02853716241329 0.62500000000000 0.54673647587991 18.998 > 14 112 F 0.52853716241329 0.62500000000000 0.54673647587991 18.998 > 14 113 F 0.13416655730410 0.01659677947702 0.45224356273285 18.998 > 15 114 F 0.63416655730410 0.01659677947702 0.45224356273285 18.998 > 15 115 F 0.13416655730410 0.51659677947702 0.45224356273285 18.998 > 15 116 F 0.63416655730410 0.51659677947702 0.45224356273285 18.998 > 15 117 F 0.13416655730410 0.01659677947702 0.95224356273285 18.998 > 15 118 F 0.63416655730410 0.01659677947702 0.95224356273285 18.998 > 15 119 F 0.13416655730410 0.51659677947702 0.95224356273285 18.998 > 15 120 F 0.63416655730410 0.51659677947702 0.95224356273285 18.998 > 15 121 F 0.36583344269590 0.48340322052298 0.04775643726715 18.998 > 16 122 F 0.86583344269590 0.48340322052298 0.04775643726715 18.998 > 16 123 F 0.36583344269590 0.98340322052298 0.04775643726715 18.998 > 16 124 F 0.86583344269590 0.98340322052298 0.04775643726715 18.998 > 16 125 F 0.36583344269590 0.48340322052298 0.54775643726715 18.998 > 16 126 F 0.86583344269590 0.48340322052298 0.54775643726715 18.998 > 16 127 F 0.36583344269590 0.98340322052298 0.54775643726715 18.998 > 16 128 F 0.86583344269590 0.98340322052298 0.54775643726715 18.998 > 16 129 F 0.47146283758671 0.37500000000000 0.45326352412009 18.998 > 17 130 F 0.97146283758671 0.37500000000000 0.45326352412009 18.998 > 17 131 F 0.47146283758671 0.87500000000000 0.45326352412009 18.998 > 17 132 F 0.97146283758671 0.87500000000000 0.45326352412009 18.998 > 17 133 F 0.47146283758671 0.37500000000000 0.95326352412009 18.998 > 17 134 F 0.97146283758671 0.37500000000000 0.95326352412009 18.998 > 17 135 F 0.47146283758671 0.87500000000000 0.95326352412009 18.998 > 17 136 F 0.97146283758671 0.87500000000000 0.95326352412009 18.998 > 17 137 F 0.24614433874641 0.12500000000000 0.12016393749764 18.998 > 18 138 F 0.74614433874641 0.12500000000000 0.12016393749764 18.998 > 18 139 F 0.24614433874641 0.62500000000000 0.12016393749764 18.998 > 18 140 F 0.74614433874641 0.62500000000000 0.12016393749764 18.998 > 18 141 F 0.24614433874641 0.12500000000000 0.62016393749764 18.998 > 18 142 F 0.74614433874641 0.12500000000000 0.62016393749764 18.998 > 18 143 F 0.24614433874641 0.62500000000000 0.62016393749764 18.998 > 18 144 F 0.74614433874641 0.62500000000000 0.62016393749764 18.998 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1914111 0.0000000 -0.0017619 0.0000000 2.2521754 0.0000000 -0.0017633 0.0000000 2.1938376 -------------------------- Born effective charges -------------------------- 1 K 1.2839569 0.0000000 -0.0217525 0.0000000 1.2037919 0.0000000 -0.0253326 0.0000000 1.1847083 2 K 1.2839569 0.0000000 -0.0217525 0.0000000 1.2037919 0.0000000 -0.0253326 0.0000000 1.1847083 3 Ho 3.3491549 0.0000000 -0.0270551 0.0000000 3.8556470 0.0000000 0.0866202 0.0000000 3.5334726 4 Ho 3.3491549 0.0000000 -0.0270551 0.0000000 3.8556470 0.0000000 0.0866202 0.0000000 3.5334726 5 Be 1.9420452 0.0000000 0.1040340 0.0000000 1.9307727 0.0000000 -0.1685603 0.0000000 1.9225126 6 Be 1.9420452 0.0000000 0.1040340 0.0000000 1.9307727 0.0000000 -0.1685603 0.0000000 1.9225126 7 F -1.3614195 0.0000000 -0.3905572 0.0000000 -0.8162900 0.0000000 -0.3357586 0.0000000 -1.1001947 8 F -0.7430349 0.0182750 -0.0242778 -0.0033800 -1.4115352 0.5226796 0.0158284 0.5047484 -1.1863139 9 F -0.7430349 0.0182750 -0.0242778 -0.0033800 -1.4115352 0.5226796 0.0158284 0.5047484 -1.1863139 10 F -1.0922706 -0.0863055 -0.0080644 -0.0987801 -1.3264963 -0.4135935 -0.0290072 -0.4054139 -1.0757095 11 F -1.0922706 -0.0863055 -0.0080644 -0.0987801 -1.3264963 -0.4135935 -0.0290072 -0.4054139 -1.0757095 12 F -1.0922706 0.0863055 -0.0080644 0.0987801 -1.3264963 0.4135935 -0.0290072 0.4054139 -1.0757095 13 F -1.0922706 0.0863055 -0.0080644 0.0987801 -1.3264963 0.4135935 -0.0290072 0.4054139 -1.0757095 14 F -1.5431266 0.0000000 0.4000151 0.0000000 -0.6978586 0.0000000 0.4693889 0.0000000 -1.0164520 15 F -0.7430349 -0.0182750 -0.0242778 0.0033800 -1.4115352 -0.5226796 0.0158284 -0.5047484 -1.1863139 16 F -0.7430349 -0.0182750 -0.0242778 0.0033800 -1.4115352 -0.5226796 0.0158284 -0.5047484 -1.1863139 17 F -1.5431266 0.0000000 0.4000151 0.0000000 -0.6978586 0.0000000 0.4693889 0.0000000 -1.0164520 18 F -1.3614195 0.0000000 -0.3905572 0.0000000 -0.8162900 0.0000000 -0.3357586 0.0000000 -1.1001947 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3128 Number of blocks in projector: 3128 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 428 Use standard eigh solver. Tree of FC basis block matrices: - (3128, 3086), data: False |-- (428, 421), data: True |-- (428, 421), data: True |-- (428, 421), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 735), data: False |-- (748, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.746 Solver_block: 200 / 560 - Time: 1.526 Solver_block: 300 / 560 - Time: 1.238 Solver_block: 400 / 560 - Time: 1.387 Solver_block: 500 / 560 - Time: 1.364 Solver_block: 560 / 560 - Time: 0.764 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.406 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3128 Number of blocks in projector: 3128 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 241 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 428 Use standard eigh solver. Tree of FC basis block matrices: - (3128, 3086), data: False |-- (428, 421), data: True |-- (428, 421), data: True |-- (428, 421), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 735), data: False |-- (748, 7), data: (748, 20) @ (20, 7) |-- (248, 241), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 237), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:29:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:29:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.326731630515447 0.000000000000000 0.000000000000000 b 0.000000000000000 5.768084000000000 0.000000000000000 c -2.737564903960412 0.000000000000000 6.430433105823447 Atomic positions (fractional): 1 K 0.42861719153034 0.75000000000000 0.29266163079781 39.098 2 K 0.57138280846966 0.25000000000000 0.70733836920219 39.098 3 Ho 0.11188026181804 0.75000000000000 0.67862423402024 164.930 4 Ho 0.88811973818196 0.25000000000000 0.32137576597976 164.930 5 Be 0.73174684190140 0.75000000000000 0.96288779673518 9.012 6 Be 0.26825315809860 0.25000000000000 0.03711220326482 9.012 7 F 0.50771132250717 0.75000000000000 0.75967212500472 18.998 8 F 0.26833311460820 0.46680644104595 0.90448712546569 18.998 9 F 0.73166688539180 0.53319355895405 0.09551287453431 18.998 10 F 0.17903486477363 0.49803512344370 0.46489063391341 18.998 11 F 0.82096513522637 0.50196487655630 0.53510936608659 18.998 12 F 0.82096513522637 0.99803512344370 0.53510936608659 18.998 13 F 0.17903486477363 0.00196487655630 0.46489063391341 18.998 14 F 0.05707432482659 0.25000000000000 0.09347295175982 18.998 15 F 0.26833311460820 0.03319355895405 0.90448712546569 18.998 16 F 0.73166688539180 0.96680644104595 0.09551287453431 18.998 17 F 0.94292567517341 0.75000000000000 0.90652704824018 18.998 18 F 0.49228867749283 0.25000000000000 0.24032787499528 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.653463261030893 0.000000000000000 0.000000000000000 b 0.000000000000000 11.536168000000000 0.000000000000000 c -5.475129807920824 0.000000000000000 12.860866211646893 Atomic positions (fractional): 1 K 0.21430859576517 0.37500000000000 0.14633081539891 39.098 > 1 2 K 0.71430859576517 0.37500000000000 0.14633081539891 39.098 > 1 3 K 0.21430859576517 0.87500000000000 0.14633081539891 39.098 > 1 4 K 0.71430859576517 0.87500000000000 0.14633081539891 39.098 > 1 5 K 0.21430859576517 0.37500000000000 0.64633081539891 39.098 > 1 6 K 0.71430859576517 0.37500000000000 0.64633081539891 39.098 > 1 7 K 0.21430859576517 0.87500000000000 0.64633081539891 39.098 > 1 8 K 0.71430859576517 0.87500000000000 0.64633081539891 39.098 > 1 9 K 0.28569140423483 0.12500000000000 0.35366918460109 39.098 > 9 10 K 0.78569140423483 0.12500000000000 0.35366918460109 39.098 > 9 11 K 0.28569140423483 0.62500000000000 0.35366918460109 39.098 > 9 12 K 0.78569140423483 0.62500000000000 0.35366918460109 39.098 > 9 13 K 0.28569140423483 0.12500000000000 0.85366918460109 39.098 > 9 14 K 0.78569140423483 0.12500000000000 0.85366918460109 39.098 > 9 15 K 0.28569140423483 0.62500000000000 0.85366918460109 39.098 > 9 16 K 0.78569140423483 0.62500000000000 0.85366918460109 39.098 > 9 17 Ho 0.05594013090902 0.37500000000000 0.33931211701012 164.930 > 17 18 Ho 0.55594013090902 0.37500000000000 0.33931211701012 164.930 > 17 19 Ho 0.05594013090902 0.87500000000000 0.33931211701012 164.930 > 17 20 Ho 0.55594013090902 0.87500000000000 0.33931211701012 164.930 > 17 21 Ho 0.05594013090902 0.37500000000000 0.83931211701012 164.930 > 17 22 Ho 0.55594013090902 0.37500000000000 0.83931211701012 164.930 > 17 23 Ho 0.05594013090902 0.87500000000000 0.83931211701012 164.930 > 17 24 Ho 0.55594013090902 0.87500000000000 0.83931211701012 164.930 > 17 25 Ho 0.44405986909098 0.12500000000000 0.16068788298988 164.930 > 25 26 Ho 0.94405986909098 0.12500000000000 0.16068788298988 164.930 > 25 27 Ho 0.44405986909098 0.62500000000000 0.16068788298988 164.930 > 25 28 Ho 0.94405986909098 0.62500000000000 0.16068788298988 164.930 > 25 29 Ho 0.44405986909098 0.12500000000000 0.66068788298988 164.930 > 25 30 Ho 0.94405986909098 0.12500000000000 0.66068788298988 164.930 > 25 31 Ho 0.44405986909098 0.62500000000000 0.66068788298988 164.930 > 25 32 Ho 0.94405986909098 0.62500000000000 0.66068788298988 164.930 > 25 33 Be 0.36587342095070 0.37500000000000 0.48144389836759 9.012 > 33 34 Be 0.86587342095070 0.37500000000000 0.48144389836759 9.012 > 33 35 Be 0.36587342095070 0.87500000000000 0.48144389836759 9.012 > 33 36 Be 0.86587342095070 0.87500000000000 0.48144389836759 9.012 > 33 37 Be 0.36587342095070 0.37500000000000 0.98144389836759 9.012 > 33 38 Be 0.86587342095070 0.37500000000000 0.98144389836759 9.012 > 33 39 Be 0.36587342095070 0.87500000000000 0.98144389836759 9.012 > 33 40 Be 0.86587342095070 0.87500000000000 0.98144389836759 9.012 > 33 41 Be 0.13412657904930 0.12500000000000 0.01855610163241 9.012 > 41 42 Be 0.63412657904930 0.12500000000000 0.01855610163241 9.012 > 41 43 Be 0.13412657904930 0.62500000000000 0.01855610163241 9.012 > 41 44 Be 0.63412657904930 0.62500000000000 0.01855610163241 9.012 > 41 45 Be 0.13412657904930 0.12500000000000 0.51855610163241 9.012 > 41 46 Be 0.63412657904930 0.12500000000000 0.51855610163241 9.012 > 41 47 Be 0.13412657904930 0.62500000000000 0.51855610163241 9.012 > 41 48 Be 0.63412657904930 0.62500000000000 0.51855610163241 9.012 > 41 49 F 0.25385566125359 0.37500000000000 0.37983606250236 18.998 > 49 50 F 0.75385566125359 0.37500000000000 0.37983606250236 18.998 > 49 51 F 0.25385566125359 0.87500000000000 0.37983606250236 18.998 > 49 52 F 0.75385566125359 0.87500000000000 0.37983606250236 18.998 > 49 53 F 0.25385566125359 0.37500000000000 0.87983606250236 18.998 > 49 54 F 0.75385566125359 0.37500000000000 0.87983606250236 18.998 > 49 55 F 0.25385566125359 0.87500000000000 0.87983606250236 18.998 > 49 56 F 0.75385566125359 0.87500000000000 0.87983606250236 18.998 > 49 57 F 0.13416655730410 0.23340322052298 0.45224356273285 18.998 > 57 58 F 0.63416655730410 0.23340322052298 0.45224356273285 18.998 > 57 59 F 0.13416655730410 0.73340322052298 0.45224356273285 18.998 > 57 60 F 0.63416655730410 0.73340322052298 0.45224356273285 18.998 > 57 61 F 0.13416655730410 0.23340322052298 0.95224356273285 18.998 > 57 62 F 0.63416655730410 0.23340322052298 0.95224356273285 18.998 > 57 63 F 0.13416655730410 0.73340322052298 0.95224356273285 18.998 > 57 64 F 0.63416655730410 0.73340322052298 0.95224356273285 18.998 > 57 65 F 0.36583344269590 0.26659677947702 0.04775643726715 18.998 > 65 66 F 0.86583344269590 0.26659677947702 0.04775643726715 18.998 > 65 67 F 0.36583344269590 0.76659677947702 0.04775643726715 18.998 > 65 68 F 0.86583344269590 0.76659677947702 0.04775643726715 18.998 > 65 69 F 0.36583344269590 0.26659677947702 0.54775643726715 18.998 > 65 70 F 0.86583344269590 0.26659677947702 0.54775643726715 18.998 > 65 71 F 0.36583344269590 0.76659677947702 0.54775643726715 18.998 > 65 72 F 0.86583344269590 0.76659677947702 0.54775643726715 18.998 > 65 73 F 0.08951743238681 0.24901756172185 0.23244531695671 18.998 > 73 74 F 0.58951743238681 0.24901756172185 0.23244531695671 18.998 > 73 75 F 0.08951743238681 0.74901756172185 0.23244531695671 18.998 > 73 76 F 0.58951743238681 0.74901756172185 0.23244531695671 18.998 > 73 77 F 0.08951743238681 0.24901756172185 0.73244531695671 18.998 > 73 78 F 0.58951743238681 0.24901756172185 0.73244531695671 18.998 > 73 79 F 0.08951743238681 0.74901756172185 0.73244531695671 18.998 > 73 80 F 0.58951743238681 0.74901756172185 0.73244531695671 18.998 > 73 81 F 0.41048256761319 0.25098243827815 0.26755468304329 18.998 > 81 82 F 0.91048256761319 0.25098243827815 0.26755468304329 18.998 > 81 83 F 0.41048256761319 0.75098243827815 0.26755468304329 18.998 > 81 84 F 0.91048256761319 0.75098243827815 0.26755468304329 18.998 > 81 85 F 0.41048256761319 0.25098243827815 0.76755468304329 18.998 > 81 86 F 0.91048256761319 0.25098243827815 0.76755468304329 18.998 > 81 87 F 0.41048256761319 0.75098243827815 0.76755468304329 18.998 > 81 88 F 0.91048256761319 0.75098243827815 0.76755468304329 18.998 > 81 89 F 0.41048256761319 0.49901756172185 0.26755468304329 18.998 > 89 90 F 0.91048256761319 0.49901756172185 0.26755468304329 18.998 > 89 91 F 0.41048256761319 0.99901756172185 0.26755468304329 18.998 > 89 92 F 0.91048256761319 0.99901756172185 0.26755468304329 18.998 > 89 93 F 0.41048256761319 0.49901756172185 0.76755468304329 18.998 > 89 94 F 0.91048256761319 0.49901756172185 0.76755468304329 18.998 > 89 95 F 0.41048256761319 0.99901756172185 0.76755468304329 18.998 > 89 96 F 0.91048256761319 0.99901756172185 0.76755468304329 18.998 > 89 97 F 0.08951743238681 0.00098243827815 0.23244531695671 18.998 > 97 98 F 0.58951743238681 0.00098243827815 0.23244531695671 18.998 > 97 99 F 0.08951743238681 0.50098243827815 0.23244531695671 18.998 > 97 100 F 0.58951743238681 0.50098243827815 0.23244531695671 18.998 > 97 101 F 0.08951743238681 0.00098243827815 0.73244531695671 18.998 > 97 102 F 0.58951743238681 0.00098243827815 0.73244531695671 18.998 > 97 103 F 0.08951743238681 0.50098243827815 0.73244531695671 18.998 > 97 104 F 0.58951743238681 0.50098243827815 0.73244531695671 18.998 > 97 105 F 0.02853716241329 0.12500000000000 0.04673647587991 18.998 > 105 106 F 0.52853716241329 0.12500000000000 0.04673647587991 18.998 > 105 107 F 0.02853716241329 0.62500000000000 0.04673647587991 18.998 > 105 108 F 0.52853716241329 0.62500000000000 0.04673647587991 18.998 > 105 109 F 0.02853716241329 0.12500000000000 0.54673647587991 18.998 > 105 110 F 0.52853716241329 0.12500000000000 0.54673647587991 18.998 > 105 111 F 0.02853716241329 0.62500000000000 0.54673647587991 18.998 > 105 112 F 0.52853716241329 0.62500000000000 0.54673647587991 18.998 > 105 113 F 0.13416655730410 0.01659677947702 0.45224356273285 18.998 > 113 114 F 0.63416655730410 0.01659677947702 0.45224356273285 18.998 > 113 115 F 0.13416655730410 0.51659677947702 0.45224356273285 18.998 > 113 116 F 0.63416655730410 0.51659677947702 0.45224356273285 18.998 > 113 117 F 0.13416655730410 0.01659677947702 0.95224356273285 18.998 > 113 118 F 0.63416655730410 0.01659677947702 0.95224356273285 18.998 > 113 119 F 0.13416655730410 0.51659677947702 0.95224356273285 18.998 > 113 120 F 0.63416655730410 0.51659677947702 0.95224356273285 18.998 > 113 121 F 0.36583344269590 0.48340322052298 0.04775643726715 18.998 > 121 122 F 0.86583344269590 0.48340322052298 0.04775643726715 18.998 > 121 123 F 0.36583344269590 0.98340322052298 0.04775643726715 18.998 > 121 124 F 0.86583344269590 0.98340322052298 0.04775643726715 18.998 > 121 125 F 0.36583344269590 0.48340322052298 0.54775643726715 18.998 > 121 126 F 0.86583344269590 0.48340322052298 0.54775643726715 18.998 > 121 127 F 0.36583344269590 0.98340322052298 0.54775643726715 18.998 > 121 128 F 0.86583344269590 0.98340322052298 0.54775643726715 18.998 > 121 129 F 0.47146283758671 0.37500000000000 0.45326352412009 18.998 > 129 130 F 0.97146283758671 0.37500000000000 0.45326352412009 18.998 > 129 131 F 0.47146283758671 0.87500000000000 0.45326352412009 18.998 > 129 132 F 0.97146283758671 0.87500000000000 0.45326352412009 18.998 > 129 133 F 0.47146283758671 0.37500000000000 0.95326352412009 18.998 > 129 134 F 0.97146283758671 0.37500000000000 0.95326352412009 18.998 > 129 135 F 0.47146283758671 0.87500000000000 0.95326352412009 18.998 > 129 136 F 0.97146283758671 0.87500000000000 0.95326352412009 18.998 > 129 137 F 0.24614433874641 0.12500000000000 0.12016393749764 18.998 > 137 138 F 0.74614433874641 0.12500000000000 0.12016393749764 18.998 > 137 139 F 0.24614433874641 0.62500000000000 0.12016393749764 18.998 > 137 140 F 0.74614433874641 0.62500000000000 0.12016393749764 18.998 > 137 141 F 0.24614433874641 0.12500000000000 0.62016393749764 18.998 > 137 142 F 0.74614433874641 0.12500000000000 0.62016393749764 18.998 > 137 143 F 0.24614433874641 0.62500000000000 0.62016393749764 18.998 > 137 144 F 0.74614433874641 0.62500000000000 0.62016393749764 18.998 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1914111 0.0000000 -0.0017619 0.0000000 2.2521754 0.0000000 -0.0017633 0.0000000 2.1938376 -------------------------- Born effective charges -------------------------- 1 K 1.2839569 0.0000000 -0.0217525 0.0000000 1.2037919 0.0000000 -0.0253326 0.0000000 1.1847083 2 K 1.2839569 0.0000000 -0.0217525 0.0000000 1.2037919 0.0000000 -0.0253326 0.0000000 1.1847083 3 Ho 3.3491549 0.0000000 -0.0270551 0.0000000 3.8556470 0.0000000 0.0866202 0.0000000 3.5334726 4 Ho 3.3491549 0.0000000 -0.0270551 0.0000000 3.8556470 0.0000000 0.0866202 0.0000000 3.5334726 5 Be 1.9420452 0.0000000 0.1040340 0.0000000 1.9307727 0.0000000 -0.1685603 0.0000000 1.9225126 6 Be 1.9420452 0.0000000 0.1040340 0.0000000 1.9307727 0.0000000 -0.1685603 0.0000000 1.9225126 7 F -1.3614195 0.0000000 -0.3905572 0.0000000 -0.8162900 0.0000000 -0.3357586 0.0000000 -1.1001947 8 F -0.7430349 0.0182750 -0.0242778 -0.0033800 -1.4115352 0.5226796 0.0158284 0.5047484 -1.1863139 9 F -0.7430349 0.0182750 -0.0242778 -0.0033800 -1.4115352 0.5226796 0.0158284 0.5047484 -1.1863139 10 F -1.0922706 -0.0863055 -0.0080644 -0.0987801 -1.3264963 -0.4135935 -0.0290072 -0.4054139 -1.0757095 11 F -1.0922706 -0.0863055 -0.0080644 -0.0987801 -1.3264963 -0.4135935 -0.0290072 -0.4054139 -1.0757095 12 F -1.0922706 0.0863055 -0.0080644 0.0987801 -1.3264963 0.4135935 -0.0290072 0.4054139 -1.0757095 13 F -1.0922706 0.0863055 -0.0080644 0.0987801 -1.3264963 0.4135935 -0.0290072 0.4054139 -1.0757095 14 F -1.5431266 0.0000000 0.4000151 0.0000000 -0.6978586 0.0000000 0.4693889 0.0000000 -1.0164520 15 F -0.7430349 -0.0182750 -0.0242778 0.0033800 -1.4115352 -0.5226796 0.0158284 -0.5047484 -1.1863139 16 F -0.7430349 -0.0182750 -0.0242778 0.0033800 -1.4115352 -0.5226796 0.0158284 -0.5047484 -1.1863139 17 F -1.5431266 0.0000000 0.4000151 0.0000000 -0.6978586 0.0000000 0.4693889 0.0000000 -1.0164520 18 F -1.3614195 0.0000000 -0.3905572 0.0000000 -0.8162900 0.0000000 -0.3357586 0.0000000 -1.1001947 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 17, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 57, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 105, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000038 (yzy) 0.00000038 (yzy) 0.00000038 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (zx) 0.00000004 (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 2026-01-08 14:30:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:30:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.326731630515447 0.000000000000000 0.000000000000000 b 0.000000000000000 5.768084000000000 0.000000000000000 c -2.737564903960412 0.000000000000000 6.430433105823447 Atomic positions (fractional): 1 K 0.42861719153034 0.75000000000000 0.29266163079781 39.098 2 K 0.57138280846966 0.25000000000000 0.70733836920219 39.098 3 Ho 0.11188026181804 0.75000000000000 0.67862423402024 164.930 4 Ho 0.88811973818196 0.25000000000000 0.32137576597976 164.930 5 Be 0.73174684190140 0.75000000000000 0.96288779673518 9.012 6 Be 0.26825315809860 0.25000000000000 0.03711220326482 9.012 7 F 0.50771132250717 0.75000000000000 0.75967212500472 18.998 8 F 0.26833311460820 0.46680644104595 0.90448712546569 18.998 9 F 0.73166688539180 0.53319355895405 0.09551287453431 18.998 10 F 0.17903486477363 0.49803512344370 0.46489063391341 18.998 11 F 0.82096513522637 0.50196487655630 0.53510936608659 18.998 12 F 0.82096513522637 0.99803512344370 0.53510936608659 18.998 13 F 0.17903486477363 0.00196487655630 0.46489063391341 18.998 14 F 0.05707432482659 0.25000000000000 0.09347295175982 18.998 15 F 0.26833311460820 0.03319355895405 0.90448712546569 18.998 16 F 0.73166688539180 0.96680644104595 0.09551287453431 18.998 17 F 0.94292567517341 0.75000000000000 0.90652704824018 18.998 18 F 0.49228867749283 0.25000000000000 0.24032787499528 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.653463261030893 0.000000000000000 0.000000000000000 b 0.000000000000000 11.536168000000000 0.000000000000000 c -5.475129807920824 0.000000000000000 12.860866211646893 Atomic positions (fractional): 1 K 0.21430859576517 0.37500000000000 0.14633081539891 39.098 > 1 2 K 0.71430859576517 0.37500000000000 0.14633081539891 39.098 > 1 3 K 0.21430859576517 0.87500000000000 0.14633081539891 39.098 > 1 4 K 0.71430859576517 0.87500000000000 0.14633081539891 39.098 > 1 5 K 0.21430859576517 0.37500000000000 0.64633081539891 39.098 > 1 6 K 0.71430859576517 0.37500000000000 0.64633081539891 39.098 > 1 7 K 0.21430859576517 0.87500000000000 0.64633081539891 39.098 > 1 8 K 0.71430859576517 0.87500000000000 0.64633081539891 39.098 > 1 9 K 0.28569140423483 0.12500000000000 0.35366918460109 39.098 > 9 10 K 0.78569140423483 0.12500000000000 0.35366918460109 39.098 > 9 11 K 0.28569140423483 0.62500000000000 0.35366918460109 39.098 > 9 12 K 0.78569140423483 0.62500000000000 0.35366918460109 39.098 > 9 13 K 0.28569140423483 0.12500000000000 0.85366918460109 39.098 > 9 14 K 0.78569140423483 0.12500000000000 0.85366918460109 39.098 > 9 15 K 0.28569140423483 0.62500000000000 0.85366918460109 39.098 > 9 16 K 0.78569140423483 0.62500000000000 0.85366918460109 39.098 > 9 17 Ho 0.05594013090902 0.37500000000000 0.33931211701012 164.930 > 17 18 Ho 0.55594013090902 0.37500000000000 0.33931211701012 164.930 > 17 19 Ho 0.05594013090902 0.87500000000000 0.33931211701012 164.930 > 17 20 Ho 0.55594013090902 0.87500000000000 0.33931211701012 164.930 > 17 21 Ho 0.05594013090902 0.37500000000000 0.83931211701012 164.930 > 17 22 Ho 0.55594013090902 0.37500000000000 0.83931211701012 164.930 > 17 23 Ho 0.05594013090902 0.87500000000000 0.83931211701012 164.930 > 17 24 Ho 0.55594013090902 0.87500000000000 0.83931211701012 164.930 > 17 25 Ho 0.44405986909098 0.12500000000000 0.16068788298988 164.930 > 25 26 Ho 0.94405986909098 0.12500000000000 0.16068788298988 164.930 > 25 27 Ho 0.44405986909098 0.62500000000000 0.16068788298988 164.930 > 25 28 Ho 0.94405986909098 0.62500000000000 0.16068788298988 164.930 > 25 29 Ho 0.44405986909098 0.12500000000000 0.66068788298988 164.930 > 25 30 Ho 0.94405986909098 0.12500000000000 0.66068788298988 164.930 > 25 31 Ho 0.44405986909098 0.62500000000000 0.66068788298988 164.930 > 25 32 Ho 0.94405986909098 0.62500000000000 0.66068788298988 164.930 > 25 33 Be 0.36587342095070 0.37500000000000 0.48144389836759 9.012 > 33 34 Be 0.86587342095070 0.37500000000000 0.48144389836759 9.012 > 33 35 Be 0.36587342095070 0.87500000000000 0.48144389836759 9.012 > 33 36 Be 0.86587342095070 0.87500000000000 0.48144389836759 9.012 > 33 37 Be 0.36587342095070 0.37500000000000 0.98144389836759 9.012 > 33 38 Be 0.86587342095070 0.37500000000000 0.98144389836759 9.012 > 33 39 Be 0.36587342095070 0.87500000000000 0.98144389836759 9.012 > 33 40 Be 0.86587342095070 0.87500000000000 0.98144389836759 9.012 > 33 41 Be 0.13412657904930 0.12500000000000 0.01855610163241 9.012 > 41 42 Be 0.63412657904930 0.12500000000000 0.01855610163241 9.012 > 41 43 Be 0.13412657904930 0.62500000000000 0.01855610163241 9.012 > 41 44 Be 0.63412657904930 0.62500000000000 0.01855610163241 9.012 > 41 45 Be 0.13412657904930 0.12500000000000 0.51855610163241 9.012 > 41 46 Be 0.63412657904930 0.12500000000000 0.51855610163241 9.012 > 41 47 Be 0.13412657904930 0.62500000000000 0.51855610163241 9.012 > 41 48 Be 0.63412657904930 0.62500000000000 0.51855610163241 9.012 > 41 49 F 0.25385566125359 0.37500000000000 0.37983606250236 18.998 > 49 50 F 0.75385566125359 0.37500000000000 0.37983606250236 18.998 > 49 51 F 0.25385566125359 0.87500000000000 0.37983606250236 18.998 > 49 52 F 0.75385566125359 0.87500000000000 0.37983606250236 18.998 > 49 53 F 0.25385566125359 0.37500000000000 0.87983606250236 18.998 > 49 54 F 0.75385566125359 0.37500000000000 0.87983606250236 18.998 > 49 55 F 0.25385566125359 0.87500000000000 0.87983606250236 18.998 > 49 56 F 0.75385566125359 0.87500000000000 0.87983606250236 18.998 > 49 57 F 0.13416655730410 0.23340322052298 0.45224356273285 18.998 > 57 58 F 0.63416655730410 0.23340322052298 0.45224356273285 18.998 > 57 59 F 0.13416655730410 0.73340322052298 0.45224356273285 18.998 > 57 60 F 0.63416655730410 0.73340322052298 0.45224356273285 18.998 > 57 61 F 0.13416655730410 0.23340322052298 0.95224356273285 18.998 > 57 62 F 0.63416655730410 0.23340322052298 0.95224356273285 18.998 > 57 63 F 0.13416655730410 0.73340322052298 0.95224356273285 18.998 > 57 64 F 0.63416655730410 0.73340322052298 0.95224356273285 18.998 > 57 65 F 0.36583344269590 0.26659677947702 0.04775643726715 18.998 > 65 66 F 0.86583344269590 0.26659677947702 0.04775643726715 18.998 > 65 67 F 0.36583344269590 0.76659677947702 0.04775643726715 18.998 > 65 68 F 0.86583344269590 0.76659677947702 0.04775643726715 18.998 > 65 69 F 0.36583344269590 0.26659677947702 0.54775643726715 18.998 > 65 70 F 0.86583344269590 0.26659677947702 0.54775643726715 18.998 > 65 71 F 0.36583344269590 0.76659677947702 0.54775643726715 18.998 > 65 72 F 0.86583344269590 0.76659677947702 0.54775643726715 18.998 > 65 73 F 0.08951743238681 0.24901756172185 0.23244531695671 18.998 > 73 74 F 0.58951743238681 0.24901756172185 0.23244531695671 18.998 > 73 75 F 0.08951743238681 0.74901756172185 0.23244531695671 18.998 > 73 76 F 0.58951743238681 0.74901756172185 0.23244531695671 18.998 > 73 77 F 0.08951743238681 0.24901756172185 0.73244531695671 18.998 > 73 78 F 0.58951743238681 0.24901756172185 0.73244531695671 18.998 > 73 79 F 0.08951743238681 0.74901756172185 0.73244531695671 18.998 > 73 80 F 0.58951743238681 0.74901756172185 0.73244531695671 18.998 > 73 81 F 0.41048256761319 0.25098243827815 0.26755468304329 18.998 > 81 82 F 0.91048256761319 0.25098243827815 0.26755468304329 18.998 > 81 83 F 0.41048256761319 0.75098243827815 0.26755468304329 18.998 > 81 84 F 0.91048256761319 0.75098243827815 0.26755468304329 18.998 > 81 85 F 0.41048256761319 0.25098243827815 0.76755468304329 18.998 > 81 86 F 0.91048256761319 0.25098243827815 0.76755468304329 18.998 > 81 87 F 0.41048256761319 0.75098243827815 0.76755468304329 18.998 > 81 88 F 0.91048256761319 0.75098243827815 0.76755468304329 18.998 > 81 89 F 0.41048256761319 0.49901756172185 0.26755468304329 18.998 > 89 90 F 0.91048256761319 0.49901756172185 0.26755468304329 18.998 > 89 91 F 0.41048256761319 0.99901756172185 0.26755468304329 18.998 > 89 92 F 0.91048256761319 0.99901756172185 0.26755468304329 18.998 > 89 93 F 0.41048256761319 0.49901756172185 0.76755468304329 18.998 > 89 94 F 0.91048256761319 0.49901756172185 0.76755468304329 18.998 > 89 95 F 0.41048256761319 0.99901756172185 0.76755468304329 18.998 > 89 96 F 0.91048256761319 0.99901756172185 0.76755468304329 18.998 > 89 97 F 0.08951743238681 0.00098243827815 0.23244531695671 18.998 > 97 98 F 0.58951743238681 0.00098243827815 0.23244531695671 18.998 > 97 99 F 0.08951743238681 0.50098243827815 0.23244531695671 18.998 > 97 100 F 0.58951743238681 0.50098243827815 0.23244531695671 18.998 > 97 101 F 0.08951743238681 0.00098243827815 0.73244531695671 18.998 > 97 102 F 0.58951743238681 0.00098243827815 0.73244531695671 18.998 > 97 103 F 0.08951743238681 0.50098243827815 0.73244531695671 18.998 > 97 104 F 0.58951743238681 0.50098243827815 0.73244531695671 18.998 > 97 105 F 0.02853716241329 0.12500000000000 0.04673647587991 18.998 > 105 106 F 0.52853716241329 0.12500000000000 0.04673647587991 18.998 > 105 107 F 0.02853716241329 0.62500000000000 0.04673647587991 18.998 > 105 108 F 0.52853716241329 0.62500000000000 0.04673647587991 18.998 > 105 109 F 0.02853716241329 0.12500000000000 0.54673647587991 18.998 > 105 110 F 0.52853716241329 0.12500000000000 0.54673647587991 18.998 > 105 111 F 0.02853716241329 0.62500000000000 0.54673647587991 18.998 > 105 112 F 0.52853716241329 0.62500000000000 0.54673647587991 18.998 > 105 113 F 0.13416655730410 0.01659677947702 0.45224356273285 18.998 > 113 114 F 0.63416655730410 0.01659677947702 0.45224356273285 18.998 > 113 115 F 0.13416655730410 0.51659677947702 0.45224356273285 18.998 > 113 116 F 0.63416655730410 0.51659677947702 0.45224356273285 18.998 > 113 117 F 0.13416655730410 0.01659677947702 0.95224356273285 18.998 > 113 118 F 0.63416655730410 0.01659677947702 0.95224356273285 18.998 > 113 119 F 0.13416655730410 0.51659677947702 0.95224356273285 18.998 > 113 120 F 0.63416655730410 0.51659677947702 0.95224356273285 18.998 > 113 121 F 0.36583344269590 0.48340322052298 0.04775643726715 18.998 > 121 122 F 0.86583344269590 0.48340322052298 0.04775643726715 18.998 > 121 123 F 0.36583344269590 0.98340322052298 0.04775643726715 18.998 > 121 124 F 0.86583344269590 0.98340322052298 0.04775643726715 18.998 > 121 125 F 0.36583344269590 0.48340322052298 0.54775643726715 18.998 > 121 126 F 0.86583344269590 0.48340322052298 0.54775643726715 18.998 > 121 127 F 0.36583344269590 0.98340322052298 0.54775643726715 18.998 > 121 128 F 0.86583344269590 0.98340322052298 0.54775643726715 18.998 > 121 129 F 0.47146283758671 0.37500000000000 0.45326352412009 18.998 > 129 130 F 0.97146283758671 0.37500000000000 0.45326352412009 18.998 > 129 131 F 0.47146283758671 0.87500000000000 0.45326352412009 18.998 > 129 132 F 0.97146283758671 0.87500000000000 0.45326352412009 18.998 > 129 133 F 0.47146283758671 0.37500000000000 0.95326352412009 18.998 > 129 134 F 0.97146283758671 0.37500000000000 0.95326352412009 18.998 > 129 135 F 0.47146283758671 0.87500000000000 0.95326352412009 18.998 > 129 136 F 0.97146283758671 0.87500000000000 0.95326352412009 18.998 > 129 137 F 0.24614433874641 0.12500000000000 0.12016393749764 18.998 > 137 138 F 0.74614433874641 0.12500000000000 0.12016393749764 18.998 > 137 139 F 0.24614433874641 0.62500000000000 0.12016393749764 18.998 > 137 140 F 0.74614433874641 0.62500000000000 0.12016393749764 18.998 > 137 141 F 0.24614433874641 0.12500000000000 0.62016393749764 18.998 > 137 142 F 0.74614433874641 0.12500000000000 0.62016393749764 18.998 > 137 143 F 0.24614433874641 0.62500000000000 0.62016393749764 18.998 > 137 144 F 0.74614433874641 0.62500000000000 0.62016393749764 18.998 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1914111 0.0000000 -0.0017619 0.0000000 2.2521754 0.0000000 -0.0017633 0.0000000 2.1938376 -------------------------- Born effective charges -------------------------- 1 K 1.2839569 0.0000000 -0.0217525 0.0000000 1.2037919 0.0000000 -0.0253326 0.0000000 1.1847083 2 K 1.2839569 0.0000000 -0.0217525 0.0000000 1.2037919 0.0000000 -0.0253326 0.0000000 1.1847083 3 Ho 3.3491549 0.0000000 -0.0270551 0.0000000 3.8556470 0.0000000 0.0866202 0.0000000 3.5334726 4 Ho 3.3491549 0.0000000 -0.0270551 0.0000000 3.8556470 0.0000000 0.0866202 0.0000000 3.5334726 5 Be 1.9420452 0.0000000 0.1040340 0.0000000 1.9307727 0.0000000 -0.1685603 0.0000000 1.9225126 6 Be 1.9420452 0.0000000 0.1040340 0.0000000 1.9307727 0.0000000 -0.1685603 0.0000000 1.9225126 7 F -1.3614195 0.0000000 -0.3905572 0.0000000 -0.8162900 0.0000000 -0.3357586 0.0000000 -1.1001947 8 F -0.7430349 0.0182750 -0.0242778 -0.0033800 -1.4115352 0.5226796 0.0158284 0.5047484 -1.1863139 9 F -0.7430349 0.0182750 -0.0242778 -0.0033800 -1.4115352 0.5226796 0.0158284 0.5047484 -1.1863139 10 F -1.0922706 -0.0863055 -0.0080644 -0.0987801 -1.3264963 -0.4135935 -0.0290072 -0.4054139 -1.0757095 11 F -1.0922706 -0.0863055 -0.0080644 -0.0987801 -1.3264963 -0.4135935 -0.0290072 -0.4054139 -1.0757095 12 F -1.0922706 0.0863055 -0.0080644 0.0987801 -1.3264963 0.4135935 -0.0290072 0.4054139 -1.0757095 13 F -1.0922706 0.0863055 -0.0080644 0.0987801 -1.3264963 0.4135935 -0.0290072 0.4054139 -1.0757095 14 F -1.5431266 0.0000000 0.4000151 0.0000000 -0.6978586 0.0000000 0.4693889 0.0000000 -1.0164520 15 F -0.7430349 -0.0182750 -0.0242778 0.0033800 -1.4115352 -0.5226796 0.0158284 -0.5047484 -1.1863139 16 F -0.7430349 -0.0182750 -0.0242778 0.0033800 -1.4115352 -0.5226796 0.0158284 -0.5047484 -1.1863139 17 F -1.5431266 0.0000000 0.4000151 0.0000000 -0.6978586 0.0000000 0.4693889 0.0000000 -1.0164520 18 F -1.3614195 0.0000000 -0.3905572 0.0000000 -0.8162900 0.0000000 -0.3357586 0.0000000 -1.1001947 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000038 (yzy) 0.00000038 (yzy) 0.00000038 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.67, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/185) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.759 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.721 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 11.919 ( 0.000 0.000 0.000) 0.000 12.268 ( 0.000 0.000 0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 18.355 ( 0.000 0.000 0.000) 0.000 23.033 ( 0.000 0.000 0.000) 0.000 23.084 ( 0.000 0.000 0.000) 0.000 23.584 ( 0.000 0.000 0.000) 0.000 23.681 ( 0.000 0.000 0.000) 0.000 25.133 ( 0.000 0.000 0.000) 0.000 25.308 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/185) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 15.871 0.000 12.683) 20.316 0.484 ( 24.399 0.000 6.883) 25.351 0.821 ( 36.087 0.000 21.608) 42.062 1.779 ( 5.294 0.000 -9.643) 11.001 2.020 ( 1.132 0.000 10.191) 10.253 2.863 ( 1.803 0.000 -0.550) 1.885 2.882 ( -12.006 0.000 -2.019) 12.174 2.903 ( -10.857 0.000 15.002) 18.518 3.244 ( 0.299 0.000 0.538) 0.616 3.314 ( 8.030 0.000 2.587) 8.437 3.367 ( 10.968 0.000 -11.039) 15.561 3.417 ( 2.171 0.000 0.342) 2.198 3.920 ( -7.925 0.000 -0.331) 7.932 4.201 ( 8.954 0.000 -19.986) 21.900 4.239 ( 2.464 0.000 -5.709) 6.218 4.432 ( -4.064 0.000 -7.494) 8.525 4.535 ( -1.212 0.000 -7.006) 7.110 4.637 ( 1.012 0.000 6.922) 6.996 5.318 ( -3.247 0.000 4.333) 5.415 5.553 ( -0.805 0.000 2.195) 2.338 5.700 ( 0.396 0.000 -1.162) 1.228 5.837 ( -8.030 0.000 -3.580) 8.792 5.977 ( -10.630 0.000 1.345) 10.715 6.030 ( -8.820 0.000 19.399) 21.310 6.215 ( 3.869 0.000 -1.551) 4.168 6.334 ( -7.247 0.000 39.718) 40.374 6.932 ( 16.906 0.000 0.589) 16.916 6.995 ( -10.096 0.000 6.410) 11.959 7.262 ( -2.273 0.000 2.742) 3.562 7.606 ( 1.968 0.000 -0.419) 2.013 8.152 ( 3.282 0.000 -3.047) 4.478 8.453 ( -4.494 0.000 -0.363) 4.509 8.709 ( -2.378 0.000 2.359) 3.350 9.712 ( -0.163 0.000 0.543) 0.566 10.012 ( -3.137 0.000 -1.867) 3.651 10.081 ( 12.733 0.000 -42.574) 44.437 10.293 ( 17.721 0.000 -27.965) 33.108 11.255 ( -0.777 0.000 -0.269) 0.822 11.445 ( 0.146 0.000 -0.993) 1.004 11.636 ( -2.126 0.000 5.214) 5.631 11.913 ( -0.080 0.000 -1.180) 1.183 12.280 ( 0.990 0.000 1.436) 1.744 12.466 ( -16.426 0.000 41.944) 45.046 12.476 ( -2.035 0.000 -0.082) 2.037 12.569 ( 2.551 0.000 0.154) 2.555 13.595 ( -1.987 0.000 -0.745) 2.122 17.694 ( 1.853 0.000 0.528) 1.927 18.333 ( -2.344 0.000 -0.129) 2.348 23.048 ( 1.615 0.000 0.244) 1.633 23.094 ( 1.037 0.000 0.088) 1.041 23.669 ( -1.290 0.000 -0.150) 1.299 24.739 ( -36.710 0.000 59.827) 70.192 25.268 ( 1.053 0.000 22.898) 22.922 26.207 ( 36.275 0.000 -85.514) 92.890 ======================= Grid point 2 (3/185) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 15.191 0.000 5.621) 16.198 0.949 ( 22.460 0.000 6.381) 23.349 1.565 ( 29.876 0.000 20.891) 36.456 1.859 ( 10.706 0.000 -6.149) 12.346 2.111 ( -0.171 0.000 10.175) 10.176 2.663 ( -11.585 0.000 -0.481) 11.594 2.803 ( -6.346 0.000 2.693) 6.894 2.921 ( 2.315 0.000 3.675) 4.343 3.261 ( 0.990 0.000 0.942) 1.366 3.419 ( 3.216 0.000 -0.211) 3.222 3.463 ( -0.195 0.000 2.040) 2.049 3.509 ( 15.282 0.000 -13.441) 20.352 3.761 ( -7.424 0.000 -0.998) 7.491 4.108 ( -8.153 0.000 -5.969) 10.104 4.241 ( 1.465 0.000 -3.692) 3.972 4.334 ( -0.064 0.000 -11.552) 11.552 4.448 ( -1.174 0.000 -8.844) 8.922 4.721 ( 2.344 0.000 8.969) 9.270 5.281 ( -4.582 0.000 4.055) 6.119 5.548 ( -2.638 0.000 3.364) 4.275 5.662 ( -3.798 0.000 -2.904) 4.781 5.681 ( -7.704 0.000 1.298) 7.812 5.846 ( -3.948 0.000 1.536) 4.236 6.023 ( -4.923 0.000 10.660) 11.742 6.265 ( 1.807 0.000 1.418) 2.297 6.435 ( -3.842 0.000 6.965) 7.954 6.889 ( -5.033 0.000 8.815) 10.151 7.244 ( -2.669 0.000 4.198) 4.975 7.291 ( 22.751 0.000 -0.652) 22.760 7.648 ( 3.044 0.000 -0.625) 3.107 8.178 ( 2.439 0.000 -4.710) 5.304 8.342 ( -7.479 0.000 0.035) 7.479 8.666 ( -5.611 0.000 4.259) 7.045 9.711 ( -0.600 0.000 1.024) 1.187 9.920 ( -4.695 0.000 -3.356) 5.772 10.006 ( 7.012 0.000 -23.021) 24.065 10.400 ( 8.590 0.000 -5.562) 10.233 11.235 ( -1.178 0.000 -0.354) 1.230 11.439 ( -0.447 0.000 0.246) 0.510 11.610 ( -6.900 0.000 8.198) 10.715 11.901 ( -0.003 0.000 -2.067) 2.067 12.332 ( 5.103 0.000 -1.933) 5.457 12.443 ( -1.619 0.000 -0.171) 1.628 12.500 ( -3.177 0.000 12.970) 13.354 12.614 ( 2.360 0.000 0.244) 2.373 13.540 ( -3.063 0.000 -1.556) 3.436 17.746 ( 3.416 0.000 0.710) 3.489 18.274 ( -4.160 0.000 -0.117) 4.162 23.091 ( 2.880 0.000 0.243) 2.890 23.120 ( 1.763 0.000 0.144) 1.769 23.636 ( -2.146 0.000 -0.237) 2.159 24.542 ( -21.884 0.000 26.358) 34.259 25.445 ( 1.856 0.000 16.177) 16.283 26.209 ( 18.454 0.000 -42.207) 46.065 ======================= Grid point 3 (4/185) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 14.027 0.000 -0.302) 14.030 1.344 ( 17.048 0.000 4.300) 17.582 2.040 ( 11.800 0.000 -1.705) 11.922 2.152 ( -2.703 0.000 7.291) 7.776 2.153 ( 18.680 0.000 19.547) 27.038 2.478 ( -9.925 0.000 2.154) 10.157 2.728 ( -2.696 0.000 -0.515) 2.745 3.010 ( 6.086 0.000 1.189) 6.201 3.296 ( 1.910 0.000 1.799) 2.624 3.361 ( -8.010 0.000 0.035) 8.010 3.486 ( 2.772 0.000 0.359) 2.795 3.674 ( 12.169 0.000 -10.791) 16.265 3.682 ( -1.803 0.000 -2.577) 3.145 3.882 ( -11.639 0.000 -4.336) 12.420 4.166 ( -6.466 0.000 -10.986) 12.748 4.301 ( 7.392 0.000 -4.362) 8.583 4.385 ( 0.511 0.000 -5.434) 5.458 4.820 ( -0.925 0.000 8.853) 8.901 5.214 ( -4.749 0.000 0.258) 4.756 5.503 ( -2.965 0.000 0.934) 3.109 5.565 ( -4.189 0.000 -0.607) 4.233 5.604 ( -4.668 0.000 5.390) 7.130 5.835 ( 0.168 0.000 1.175) 1.187 6.003 ( -5.099 0.000 6.102) 7.952 6.297 ( 0.533 0.000 1.732) 1.812 6.327 ( -6.437 0.000 -2.544) 6.921 6.964 ( 3.506 0.000 8.650) 9.334 7.229 ( -2.491 0.000 3.569) 4.352 7.687 ( 16.540 0.000 -2.469) 16.723 7.700 ( 9.525 0.000 0.055) 9.526 8.159 ( -0.207 0.000 -5.884) 5.888 8.218 ( -6.219 0.000 1.294) 6.352 8.564 ( -10.310 0.000 5.127) 11.514 9.699 ( -1.876 0.000 0.947) 2.101 9.820 ( -2.981 0.000 -3.370) 4.499 9.986 ( 5.147 0.000 -11.421) 12.527 10.505 ( 6.076 0.000 -1.577) 6.277 11.212 ( -1.034 0.000 -0.260) 1.067 11.431 ( -1.869 0.000 2.985) 3.522 11.527 ( -7.317 0.000 4.578) 8.631 11.884 ( -0.069 0.000 -2.020) 2.021 12.418 ( -1.039 0.000 -0.196) 1.057 12.419 ( 7.084 0.000 -4.618) 8.456 12.542 ( -0.553 0.000 6.565) 6.588 12.652 ( 1.648 0.000 0.224) 1.664 13.473 ( -3.096 0.000 -1.436) 3.413 17.819 ( 4.209 0.000 0.490) 4.237 18.192 ( -4.864 0.000 0.021) 4.865 23.147 ( 3.141 0.000 0.009) 3.141 23.154 ( 1.808 0.000 0.143) 1.814 23.595 ( -2.140 0.000 -0.223) 2.152 24.376 ( -14.126 0.000 14.477) 20.227 25.563 ( 0.860 0.000 9.007) 9.048 26.226 ( 10.794 0.000 -22.359) 24.828 ======================= Grid point 4 (5/185) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 6.992 0.000 -1.104) 7.078 1.581 ( 6.704 0.000 1.374) 6.843 2.116 ( -3.083 0.000 3.380) 4.575 2.219 ( 7.864 0.000 -4.000) 8.823 2.360 ( -6.309 0.000 5.055) 8.084 2.460 ( 3.434 0.000 9.214) 9.833 2.714 ( 1.213 0.000 -0.504) 1.314 3.159 ( 8.587 0.000 0.417) 8.597 3.249 ( -3.565 0.000 -0.011) 3.565 3.347 ( 1.439 0.000 2.059) 2.512 3.540 ( 2.790 0.000 0.849) 2.916 3.618 ( -2.786 0.000 -2.855) 3.989 3.652 ( -7.716 0.000 -1.994) 7.969 3.741 ( 0.450 0.000 -6.458) 6.474 3.991 ( -3.534 0.000 -4.516) 5.734 4.378 ( 0.874 0.000 -1.305) 1.570 4.479 ( 14.768 0.000 -4.819) 15.534 4.760 ( -11.662 0.000 6.239) 13.225 5.142 ( -2.262 0.000 -0.809) 2.402 5.499 ( 0.973 0.000 1.132) 1.492 5.518 ( -1.335 0.000 0.401) 1.394 5.572 ( -2.082 0.000 1.936) 2.843 5.847 ( 0.260 0.000 0.398) 0.475 5.937 ( -4.383 0.000 2.054) 4.840 6.251 ( -0.764 0.000 -1.589) 1.763 6.311 ( 0.056 0.000 0.696) 0.699 7.076 ( 2.832 0.000 3.743) 4.693 7.206 ( -1.805 0.000 0.918) 2.024 7.727 ( 1.094 0.000 -0.251) 1.122 8.063 ( 20.255 0.000 -3.067) 20.486 8.101 ( -1.768 0.000 -1.407) 2.259 8.160 ( -1.198 0.000 -0.576) 1.329 8.373 ( -15.448 0.000 4.473) 16.083 9.666 ( -1.533 0.000 -0.051) 1.534 9.777 ( -0.409 0.000 -1.017) 1.096 10.000 ( 2.190 0.000 -3.365) 4.015 10.576 ( 2.501 0.000 -0.568) 2.564 11.198 ( -0.410 0.000 -0.091) 0.420 11.420 ( -3.572 0.000 6.900) 7.770 11.450 ( -0.811 0.000 -3.940) 4.022 11.873 ( 0.059 0.000 -0.830) 0.832 12.404 ( -0.359 0.000 -0.087) 0.370 12.489 ( 3.446 0.000 -2.845) 4.469 12.573 ( -0.262 0.000 3.017) 3.028 12.673 ( 0.590 0.000 0.090) 0.597 13.422 ( -1.414 0.000 -0.601) 1.537 17.888 ( 2.693 0.000 0.129) 2.696 18.118 ( -2.953 0.000 0.070) 2.954 23.179 ( 0.816 0.000 0.063) 0.819 23.190 ( 1.478 0.000 -0.080) 1.480 23.565 ( -0.946 0.000 -0.094) 0.951 24.275 ( -5.172 0.000 4.873) 7.106 25.614 ( 0.184 0.000 2.668) 2.675 26.246 ( 3.696 0.000 -6.955) 7.876 ======================= Grid point 9 (6/185) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 21.882 0.000) 21.882 0.613 ( 0.000 31.903 0.000) 31.903 0.980 ( 0.000 49.666 0.000) 49.666 1.906 ( 0.000 11.621 0.000) 11.621 2.146 ( 0.000 7.272 0.000) 7.272 2.813 ( 0.000 -3.340 0.000) 3.340 2.845 ( 0.000 -1.125 0.000) 1.125 3.193 ( 0.000 -2.616 0.000) 2.616 3.210 ( 0.000 12.760 0.000) 12.760 3.241 ( 0.000 -5.409 0.000) 5.409 3.388 ( 0.000 0.099 0.000) 0.099 3.444 ( 0.000 6.324 0.000) 6.324 3.518 ( 0.000 5.941 0.000) 5.941 4.008 ( 0.000 1.231 0.000) 1.231 4.180 ( 0.000 -6.084 0.000) 6.084 4.463 ( 0.000 -3.736 0.000) 3.736 4.550 ( 0.000 0.540 0.000) 0.540 4.742 ( 0.000 11.272 0.000) 11.272 5.144 ( 0.000 -14.058 0.000) 14.058 5.503 ( 0.000 -4.837 0.000) 4.837 5.686 ( 0.000 6.019 0.000) 6.019 5.862 ( 0.000 -10.706 0.000) 10.706 5.981 ( 0.000 2.416 0.000) 2.416 5.988 ( 0.000 -7.013 0.000) 7.013 6.118 ( 0.000 -3.159 0.000) 3.159 6.469 ( 0.000 -3.074 0.000) 3.074 7.033 ( 0.000 1.470 0.000) 1.470 7.343 ( 0.000 6.376 0.000) 6.376 7.635 ( 0.000 7.072 0.000) 7.072 7.719 ( 0.000 1.206 0.000) 1.206 8.107 ( 0.000 -1.814 0.000) 1.814 8.476 ( 0.000 -1.798 0.000) 1.798 8.730 ( 0.000 0.879 0.000) 0.879 8.817 ( 0.000 -3.447 0.000) 3.447 10.029 ( 0.000 -1.850 0.000) 1.850 10.146 ( 0.000 -1.873 0.000) 1.873 11.274 ( 0.000 1.026 0.000) 1.026 11.313 ( 0.000 -1.688 0.000) 1.688 11.442 ( 0.000 0.005 0.000) 0.005 11.629 ( 0.000 -0.688 0.000) 0.688 11.874 ( 0.000 -3.508 0.000) 3.508 11.881 ( 0.000 -2.970 0.000) 2.970 12.270 ( 0.000 0.600 0.000) 0.600 12.521 ( 0.000 1.261 0.000) 1.261 12.732 ( 0.000 9.797 0.000) 9.797 13.600 ( 0.000 -1.534 0.000) 1.534 17.689 ( 0.000 1.359 0.000) 1.359 18.327 ( 0.000 -2.830 0.000) 2.830 23.033 ( 0.000 0.055 0.000) 0.055 23.515 ( 0.000 -4.818 0.000) 4.818 23.781 ( 0.000 7.847 0.000) 7.847 25.084 ( 0.000 -4.797 0.000) 4.797 25.304 ( 0.000 -0.372 0.000) 0.372 25.466 ( 0.000 0.706 0.000) 0.706 ======================= Grid point 10 (7/185) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 14.411 15.630 7.864) 22.668 0.757 ( 16.070 23.642 0.161) 28.587 1.225 ( 18.908 36.328 12.914) 42.942 1.932 ( 4.318 13.021 -6.536) 15.196 2.112 ( -1.280 8.267 7.847) 11.470 2.774 ( -4.179 -4.658 3.566) 7.202 2.852 ( -3.162 -2.230 2.434) 4.571 3.038 ( -8.160 9.420 -0.736) 12.484 3.238 ( 1.903 2.885 -1.960) 3.973 3.270 ( 6.185 -6.588 -6.911) 11.376 3.428 ( 2.189 5.904 2.055) 6.624 3.492 ( 5.574 5.633 2.132) 8.206 3.817 ( 8.802 -11.292 1.410) 14.387 3.986 ( 2.780 -2.909 -1.284) 4.224 4.175 ( 0.627 -5.486 -2.910) 6.241 4.383 ( -4.854 -3.232 -6.662) 8.853 4.548 ( -1.560 1.136 1.212) 2.279 4.717 ( -0.790 8.179 -2.942) 8.728 5.179 ( -2.208 -13.630 10.707) 17.473 5.524 ( 0.541 -3.806 2.765) 4.736 5.681 ( 0.641 5.129 -2.917) 5.935 5.798 ( -5.522 -8.066 -2.500) 10.090 5.887 ( -7.115 -4.731 2.981) 9.050 6.024 ( -4.411 -1.148 5.117) 6.853 6.082 ( 2.720 -3.975 -0.173) 4.819 6.634 ( 9.990 1.021 2.606) 10.375 6.954 ( -5.357 3.613 -1.993) 6.762 7.243 ( -15.970 10.765 11.134) 22.247 7.410 ( -5.149 16.338 1.082) 17.164 7.663 ( 0.330 5.325 -0.167) 5.338 8.140 ( 3.955 -0.948 -2.524) 4.786 8.416 ( -5.370 -3.252 0.232) 6.282 8.724 ( -1.554 1.313 1.760) 2.690 9.243 ( 26.624 -19.098 -7.020) 33.509 9.997 ( -2.776 -1.487 -1.796) 3.625 10.184 ( 3.834 -1.659 0.343) 4.192 10.781 ( -13.800 26.034 -41.385) 50.803 11.264 ( -1.344 0.789 -0.314) 1.590 11.450 ( -0.013 0.499 -1.156) 1.260 11.570 ( -3.499 -5.716 6.893) 9.614 11.834 ( -0.434 -6.042 0.866) 6.120 12.221 ( 0.460 -12.412 27.123) 29.832 12.284 ( 2.809 -0.060 -1.420) 3.148 12.523 ( 0.225 2.658 0.026) 2.667 12.709 ( -2.093 10.133 2.132) 10.565 13.582 ( -1.591 -1.331 -1.128) 2.361 17.706 ( 1.709 1.202 0.464) 2.140 18.307 ( -2.250 -2.710 -0.041) 3.522 22.955 ( -5.349 -0.946 -0.119) 5.433 23.409 ( -2.943 9.933 -5.609) 11.780 23.693 ( -4.606 5.059 1.355) 6.974 24.742 ( -33.480 -1.103 38.739) 51.214 25.315 ( 1.219 3.824 17.835) 18.281 25.988 ( 41.632 -13.525 -53.843) 69.392 ======================= Grid point 11 (8/185) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 12.515 14.533 6.646) 20.298 1.098 ( 18.895 14.357 3.970) 24.061 1.692 ( 22.277 14.322 6.586) 27.290 2.020 ( 8.848 13.490 2.350) 16.303 2.194 ( 1.954 8.647 9.025) 12.650 2.688 ( -8.363 0.492 2.369) 8.706 2.782 ( -5.624 -1.000 1.964) 6.040 2.971 ( 0.458 6.235 0.630) 6.283 3.253 ( 0.646 0.326 0.427) 0.840 3.335 ( 5.812 -7.966 -4.784) 10.960 3.504 ( -0.087 4.989 -0.403) 5.006 3.551 ( 4.700 2.161 -3.415) 6.199 3.791 ( -1.751 2.688 -1.373) 3.489 4.026 ( -4.102 -7.776 -3.308) 9.393 4.182 ( 4.324 -5.875 -4.320) 8.478 4.235 ( -4.017 -5.818 -9.818) 12.098 4.520 ( -0.172 4.032 -4.358) 5.940 4.701 ( -0.940 1.719 4.861) 5.241 5.206 ( -3.517 -8.964 10.734) 14.420 5.515 ( -4.881 -3.870 1.665) 6.448 5.659 ( -0.749 5.021 -2.436) 5.631 5.680 ( -4.509 -3.764 -2.817) 6.514 5.824 ( -1.806 -2.408 2.457) 3.885 6.000 ( -2.890 -1.911 6.896) 7.718 6.138 ( 1.245 -6.642 2.630) 7.252 6.633 ( -8.225 9.838 -1.342) 12.893 6.975 ( 2.990 4.540 4.035) 6.770 7.170 ( -1.402 -0.664 7.880) 8.031 7.454 ( 9.592 11.531 -0.687) 15.014 7.686 ( 2.532 3.669 -0.648) 4.504 8.184 ( 3.184 0.566 -3.477) 4.749 8.296 ( -8.234 -3.718 0.706) 9.062 8.695 ( -4.186 2.436 3.072) 5.735 9.514 ( 11.255 -12.350 -4.257) 17.243 9.913 ( -4.168 -0.551 -3.291) 5.339 10.239 ( 1.014 9.173 -5.715) 10.855 10.429 ( -0.584 7.842 -15.882) 17.722 11.231 ( -1.763 -0.442 -0.651) 1.931 11.436 ( -0.900 -0.552 -0.230) 1.081 11.542 ( -6.860 -6.029 8.412) 12.416 11.839 ( 0.443 -4.722 0.164) 4.745 12.311 ( 0.862 -3.815 4.701) 6.115 12.375 ( 3.950 -6.902 3.469) 8.676 12.530 ( 0.713 6.230 -0.439) 6.286 12.706 ( -0.074 7.657 1.580) 7.818 13.533 ( -2.503 -0.690 -1.732) 3.121 17.753 ( 3.175 0.789 0.633) 3.332 18.251 ( -4.001 -2.390 -0.002) 4.660 22.911 ( -0.353 -5.948 0.975) 6.038 23.375 ( 1.242 11.175 -2.212) 11.460 23.632 ( -3.956 0.820 1.124) 4.194 24.502 ( -21.303 -3.977 23.191) 31.740 25.482 ( 3.605 3.495 12.679) 13.637 26.165 ( 20.003 -3.954 -35.228) 40.704 ======================= Grid point 12 (9/185) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 11.448 13.181 1.937) 17.565 1.439 ( 15.673 9.602 3.376) 18.689 2.036 ( 14.685 2.863 0.134) 14.962 2.187 ( 1.038 5.635 8.501) 10.252 2.353 ( 8.848 13.778 9.633) 18.998 2.547 ( -9.100 5.958 3.282) 11.361 2.710 ( -3.211 -1.505 0.116) 3.549 3.032 ( 5.767 2.975 0.132) 6.491 3.267 ( -0.349 -2.736 1.505) 3.142 3.368 ( -6.093 -0.469 -0.517) 6.133 3.406 ( 1.477 -6.266 -0.224) 6.442 3.641 ( 4.842 0.956 -6.650) 8.281 3.787 ( 2.481 4.700 -6.721) 8.568 3.856 ( -9.547 -1.639 -1.013) 9.739 4.097 ( -3.203 -5.301 -9.275) 11.153 4.254 ( 8.000 -4.363 -4.140) 10.008 4.465 ( -0.798 5.463 -6.490) 8.521 4.753 ( -0.345 -2.926 8.659) 9.147 5.224 ( -2.908 -1.981 8.452) 9.155 5.387 ( -8.609 -6.660 -0.698) 10.907 5.598 ( -4.068 -0.777 1.425) 4.380 5.642 ( 1.063 4.736 -3.002) 5.708 5.836 ( 1.025 0.052 0.994) 1.428 6.007 ( -2.967 -0.018 5.655) 6.386 6.163 ( -0.334 -7.152 3.883) 8.145 6.460 ( -7.046 6.420 -5.048) 10.786 7.053 ( 1.661 7.488 7.119) 10.465 7.198 ( -1.146 -3.109 3.450) 4.784 7.692 ( 10.935 -0.677 -1.639) 11.077 7.752 ( 10.825 6.394 -2.581) 12.835 8.156 ( -8.276 -4.886 3.537) 10.241 8.203 ( 2.237 4.117 -4.310) 6.366 8.611 ( -8.353 3.992 3.310) 9.832 9.624 ( 3.755 -6.240 -0.810) 7.328 9.826 ( -1.711 0.831 -3.548) 4.026 10.124 ( -3.065 11.871 -9.860) 15.733 10.466 ( 6.431 -3.981 -1.506) 7.712 11.196 ( -1.984 -1.935 0.083) 2.773 11.416 ( -1.060 -2.135 -0.489) 2.433 11.462 ( -8.129 -4.933 6.907) 11.753 11.848 ( 0.625 -2.850 -0.507) 2.961 12.358 ( 1.844 -6.181 1.240) 6.568 12.456 ( 3.339 -3.955 0.356) 5.188 12.547 ( 2.487 9.181 -1.438) 9.620 12.719 ( -0.286 5.037 1.877) 5.382 13.476 ( -2.391 0.353 -1.534) 2.863 17.822 ( 3.970 0.282 0.430) 4.003 18.172 ( -4.704 -2.001 0.110) 5.113 22.936 ( 1.899 -8.564 0.679) 8.799 23.395 ( 2.101 10.527 -1.153) 10.796 23.569 ( -3.761 -1.628 0.522) 4.131 24.331 ( -13.691 -4.477 13.668) 19.857 25.611 ( 2.345 4.713 7.450) 9.122 26.224 ( 10.902 -0.236 -20.176) 22.935 ======================= Grid point 13 (10/185) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 6.075 12.199 -0.050) 13.627 1.654 ( 6.021 7.470 0.868) 9.634 2.189 ( -0.153 6.159 3.245) 6.963 2.269 ( 8.180 5.205 -1.356) 9.790 2.412 ( -7.575 5.039 4.394) 10.104 2.532 ( 1.620 6.223 5.108) 8.212 2.680 ( 0.165 -3.015 -0.989) 3.178 3.152 ( 6.198 0.526 -0.760) 6.267 3.234 ( -2.304 -2.459 0.395) 3.393 3.311 ( -0.883 -3.325 1.245) 3.658 3.433 ( -0.522 -9.609 -0.208) 9.625 3.635 ( 1.948 2.574 -2.109) 3.856 3.689 ( -4.232 -0.916 -0.989) 4.441 3.769 ( -3.199 6.413 -4.725) 8.584 4.017 ( -0.411 1.943 -3.092) 3.675 4.377 ( 4.102 -0.882 -1.108) 4.340 4.444 ( 5.233 -2.859 -4.882) 7.706 4.775 ( -3.221 2.833 5.477) 6.957 5.182 ( -5.365 1.058 1.015) 5.562 5.292 ( -1.424 -9.258 1.731) 9.525 5.549 ( -1.826 -1.520 0.219) 2.386 5.659 ( 1.577 4.654 -0.432) 4.933 5.867 ( 2.061 1.929 -0.250) 2.834 5.959 ( -4.681 1.917 2.369) 5.585 6.204 ( 1.328 -3.900 3.070) 5.138 6.340 ( -2.620 1.620 -3.740) 4.845 7.130 ( 1.588 4.325 4.850) 6.690 7.186 ( -1.283 -1.633 -0.759) 2.211 7.748 ( 1.191 0.640 -0.417) 1.415 7.976 ( 9.699 -4.301 -6.492) 12.438 8.078 ( -3.377 -2.218 5.638) 6.936 8.249 ( 7.455 7.507 -1.500) 10.686 8.447 ( -12.116 6.052 2.038) 13.696 9.640 ( -0.511 -2.744 -0.131) 2.794 9.820 ( 1.643 3.994 -0.738) 4.382 10.027 ( -1.672 2.880 -3.902) 5.130 10.552 ( 3.214 -2.342 -0.434) 4.000 11.167 ( -1.337 -4.115 0.484) 4.354 11.388 ( -3.524 -2.917 2.542) 5.234 11.397 ( -0.498 -3.562 -0.470) 3.627 11.853 ( 0.273 -1.719 -0.312) 1.768 12.391 ( 1.008 -8.148 0.432) 8.221 12.483 ( 0.166 1.975 -0.115) 1.985 12.598 ( 3.316 7.499 -1.416) 8.320 12.717 ( -1.161 2.706 1.395) 3.258 13.435 ( -1.026 1.341 -0.627) 1.801 17.887 ( 2.597 -0.085 0.102) 2.601 18.101 ( -2.890 -1.719 0.107) 3.364 22.970 ( 1.166 -9.239 0.202) 9.314 23.422 ( 1.287 11.077 -0.460) 11.161 23.518 ( -1.942 -4.214 0.186) 4.644 24.234 ( -4.962 -4.306 4.699) 8.077 25.674 ( 0.738 5.902 2.314) 6.382 26.252 ( 3.642 0.622 -6.502) 7.478 ======================= Grid point 18 (11/185) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 24.148 0.000) 24.148 1.225 ( 0.000 31.324 0.000) 31.324 1.883 ( 0.000 42.660 0.000) 42.660 2.167 ( 0.000 13.899 0.000) 13.899 2.307 ( 0.000 8.377 0.000) 8.377 2.728 ( 0.000 -5.067 0.000) 5.067 2.843 ( 0.000 1.576 0.000) 1.576 3.090 ( 0.000 -7.837 0.000) 7.837 3.195 ( 0.000 1.345 0.000) 1.345 3.397 ( 0.000 0.659 0.000) 0.659 3.500 ( 0.000 13.809 0.000) 13.809 3.550 ( 0.000 4.141 0.000) 4.141 3.679 ( 0.000 12.332 0.000) 12.332 4.031 ( 0.000 -9.049 0.000) 9.049 4.046 ( 0.000 2.877 0.000) 2.877 4.404 ( 0.000 -2.521 0.000) 2.521 4.578 ( 0.000 2.792 0.000) 2.792 4.853 ( 0.000 -15.866 0.000) 15.866 4.986 ( 0.000 13.306 0.000) 13.306 5.378 ( 0.000 -7.437 0.000) 7.437 5.617 ( 0.000 -13.690 0.000) 13.690 5.713 ( 0.000 -3.060 0.000) 3.060 5.786 ( 0.000 -13.236 0.000) 13.236 6.011 ( 0.000 -1.609 0.000) 1.609 6.101 ( 0.000 3.017 0.000) 3.017 6.389 ( 0.000 -5.195 0.000) 5.195 7.066 ( 0.000 2.062 0.000) 2.062 7.480 ( 0.000 6.242 0.000) 6.242 7.721 ( 0.000 2.701 0.000) 2.701 7.842 ( 0.000 10.684 0.000) 10.684 8.069 ( 0.000 -1.756 0.000) 1.756 8.439 ( 0.000 -1.615 0.000) 1.615 8.719 ( 0.000 -6.596 0.000) 6.596 8.745 ( 0.000 0.322 0.000) 0.322 9.984 ( 0.000 -2.525 0.000) 2.525 10.097 ( 0.000 -2.982 0.000) 2.982 11.278 ( 0.000 -1.644 0.000) 1.644 11.298 ( 0.000 1.328 0.000) 1.328 11.437 ( 0.000 -0.653 0.000) 0.653 11.584 ( 0.000 -3.885 0.000) 3.885 11.816 ( 0.000 -3.215 0.000) 3.215 11.826 ( 0.000 -1.334 0.000) 1.334 12.299 ( 0.000 2.440 0.000) 2.440 12.542 ( 0.000 0.595 0.000) 0.595 12.949 ( 0.000 11.833 0.000) 11.833 13.561 ( 0.000 -2.409 0.000) 2.409 17.729 ( 0.000 2.818 0.000) 2.818 18.250 ( 0.000 -5.083 0.000) 5.083 23.039 ( 0.000 0.654 0.000) 0.654 23.417 ( 0.000 -5.336 0.000) 5.336 23.957 ( 0.000 10.265 0.000) 10.265 24.960 ( 0.000 -7.723 0.000) 7.723 25.300 ( 0.000 0.162 0.000) 0.162 25.473 ( 0.000 -0.213 0.000) 0.213 ======================= Grid point 19 (12/185) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 11.263 20.455 3.376) 23.593 1.272 ( 7.681 28.078 -3.482) 29.317 1.957 ( 5.152 34.948 2.053) 35.385 2.204 ( 4.279 13.782 -0.918) 14.460 2.296 ( -1.335 10.353 6.264) 12.173 2.705 ( -1.901 -2.234 1.060) 3.119 2.838 ( -1.619 1.387 1.624) 2.680 3.093 ( 2.684 -8.199 -4.079) 9.543 3.170 ( -1.569 2.879 -1.407) 3.568 3.412 ( -5.688 8.858 0.163) 10.528 3.486 ( 5.912 2.051 -2.377) 6.694 3.626 ( 5.426 7.303 6.705) 11.302 3.726 ( 0.007 2.799 2.772) 3.940 3.992 ( -2.571 1.530 -1.229) 3.234 4.048 ( 1.418 -6.629 -3.155) 7.477 4.313 ( -5.497 -4.029 -7.765) 10.331 4.591 ( -0.973 3.117 1.726) 3.693 4.798 ( -2.312 -6.267 -2.715) 7.210 5.029 ( 0.867 5.025 5.912) 7.807 5.420 ( 2.186 -6.428 3.693) 7.729 5.572 ( -2.398 -12.959 -3.361) 13.601 5.695 ( -4.022 -6.950 3.143) 8.623 5.786 ( 1.378 -5.306 -1.176) 5.607 6.000 ( -2.630 -1.109 2.856) 4.038 6.053 ( -2.407 0.870 1.037) 2.762 6.558 ( 13.802 -6.515 0.765) 15.281 7.019 ( -3.922 3.131 -2.437) 5.579 7.392 ( -10.670 5.507 3.477) 12.500 7.675 ( -1.055 11.018 -0.542) 11.082 7.783 ( -3.805 6.429 0.022) 7.470 8.132 ( 5.214 0.418 -1.541) 5.453 8.359 ( -6.125 -1.709 0.958) 6.431 8.747 ( -0.281 0.691 0.828) 1.115 8.974 ( 22.035 -11.280 -3.893) 25.058 9.961 ( -1.829 -2.013 -1.726) 3.221 10.129 ( 3.696 -3.586 -0.021) 5.150 11.086 ( -11.860 8.227 -18.544) 23.500 11.280 ( -3.323 0.798 -0.448) 3.447 11.441 ( -0.269 -2.826 4.007) 4.911 11.474 ( -7.718 -2.972 2.347) 8.597 11.750 ( 1.539 -1.837 -2.098) 3.186 12.035 ( 4.953 -7.239 11.688) 14.613 12.302 ( 0.580 1.767 0.567) 1.944 12.556 ( 1.639 0.635 0.064) 1.759 12.934 ( -1.411 12.270 0.072) 12.351 13.548 ( -0.867 -2.039 -1.293) 2.565 17.741 ( 1.280 2.545 0.372) 2.873 18.232 ( -1.966 -4.864 0.156) 5.249 22.962 ( -6.531 1.337 -0.822) 6.717 23.424 ( 0.719 -4.248 -0.423) 4.329 23.870 ( -7.726 10.815 0.086) 13.292 24.682 ( -27.203 -4.725 19.363) 33.723 25.384 ( 5.222 3.193 8.907) 10.807 25.795 ( 33.084 -7.205 -27.146) 43.398 ======================= Grid point 20 (13/185) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 11.249 16.301 5.402) 20.529 1.450 ( 13.228 20.911 -0.283) 24.745 2.049 ( 8.587 19.014 -7.398) 22.136 2.247 ( -0.370 8.552 6.266) 10.608 2.437 ( 8.054 13.863 7.500) 17.701 2.677 ( -3.574 0.745 3.156) 4.826 2.806 ( -3.564 3.672 1.866) 5.447 3.110 ( 0.002 -0.362 -0.278) 0.457 3.152 ( 2.885 -2.241 -3.439) 5.018 3.328 ( -3.849 4.587 0.546) 6.013 3.580 ( 8.466 0.873 -7.903) 11.614 3.589 ( -11.491 3.798 3.597) 12.626 3.820 ( 4.413 -2.743 5.092) 7.276 3.937 ( -2.014 4.140 -3.775) 5.954 4.043 ( 0.406 -7.700 -5.411) 9.420 4.157 ( -2.641 -2.799 -7.324) 8.274 4.559 ( -2.055 -0.926 -0.762) 2.379 4.771 ( -1.011 4.023 2.069) 4.635 5.093 ( 1.231 0.680 6.631) 6.779 5.420 ( -5.564 -5.931 0.750) 8.166 5.552 ( 1.708 -8.628 0.431) 8.806 5.660 ( -1.585 -6.377 3.210) 7.313 5.805 ( 2.184 -0.275 -2.749) 3.522 5.985 ( -2.094 1.068 6.015) 6.458 6.042 ( -1.191 -3.536 2.427) 4.451 6.707 ( -1.570 -2.528 -2.952) 4.191 6.981 ( 6.039 -0.234 -1.359) 6.195 7.246 ( -8.458 4.887 5.149) 11.042 7.666 ( 0.242 8.122 -1.291) 8.227 7.789 ( 5.261 7.675 -1.601) 9.442 8.158 ( -4.013 -3.028 2.270) 5.516 8.291 ( 0.233 4.398 -1.400) 4.622 8.739 ( -1.906 1.745 1.407) 2.942 9.289 ( 16.353 -11.511 -4.442) 20.485 9.901 ( -2.493 -0.552 -3.169) 4.070 10.226 ( 7.174 -4.983 -0.126) 8.735 10.702 ( -14.964 14.159 -15.164) 25.580 11.212 ( -3.787 -1.722 -0.969) 4.272 11.378 ( -5.695 -5.381 2.643) 8.269 11.460 ( -2.300 -1.552 5.396) 6.068 11.773 ( 0.929 -1.538 1.403) 2.280 12.152 ( 0.956 -8.986 6.660) 11.225 12.341 ( 4.303 0.459 -1.680) 4.642 12.600 ( 3.065 0.987 0.439) 3.250 12.911 ( -1.068 12.596 -0.123) 12.642 13.517 ( -1.147 -0.948 -1.862) 2.384 17.778 ( 2.459 1.806 0.486) 3.089 18.185 ( -3.500 -4.266 0.278) 5.526 22.860 ( -3.911 0.158 0.248) 3.922 23.429 ( 0.284 -4.064 -0.844) 4.161 23.743 ( -6.709 9.224 1.006) 11.450 24.403 ( -19.913 -5.924 16.112) 26.291 25.566 ( 7.655 5.023 6.878) 11.451 26.080 ( 20.838 -4.585 -22.810) 31.234 ======================= Grid point 21 (14/185) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 9.957 14.723 4.716) 18.389 1.688 ( 12.368 15.399 1.338) 19.796 2.158 ( 7.460 8.361 -2.796) 11.549 2.320 ( 4.188 6.812 4.278) 9.069 2.578 ( 2.234 7.077 2.261) 7.758 2.629 ( -4.998 1.687 5.936) 7.941 2.731 ( -5.067 5.113 -1.803) 7.421 3.115 ( 2.179 0.589 -2.086) 3.073 3.176 ( -0.692 -3.813 0.470) 3.904 3.289 ( -0.672 -2.891 -0.412) 2.997 3.396 ( -10.027 1.743 -0.431) 10.187 3.634 ( 2.900 -1.815 -7.431) 8.181 3.794 ( -6.094 -0.842 1.460) 6.323 3.941 ( 1.711 8.519 0.580) 8.709 4.005 ( 3.142 -2.776 -5.353) 6.799 4.182 ( 8.044 -2.057 -4.005) 9.218 4.517 ( -1.556 -1.252 -3.274) 3.835 4.779 ( -0.823 5.531 5.139) 7.594 5.168 ( 1.865 -1.595 3.234) 4.060 5.291 ( -9.376 -3.439 3.661) 10.637 5.569 ( -0.570 -2.151 0.557) 2.293 5.670 ( 0.387 -3.663 0.131) 3.685 5.836 ( 3.979 -0.412 -2.427) 4.679 6.019 ( -1.422 1.385 5.149) 5.518 6.040 ( -0.403 -4.712 6.382) 7.943 6.543 ( -8.482 2.051 -7.741) 11.665 7.111 ( 3.326 -5.231 1.714) 6.432 7.181 ( -1.552 4.179 3.984) 5.979 7.680 ( 2.952 -0.301 -2.920) 4.163 7.883 ( 4.856 3.294 -3.210) 6.688 8.099 ( -2.292 3.334 5.382) 6.733 8.319 ( 3.263 7.485 -1.406) 8.286 8.688 ( -5.300 3.472 1.091) 6.429 9.482 ( 8.528 -8.664 -2.170) 12.349 9.850 ( 0.592 1.601 -3.414) 3.817 10.342 ( -3.387 -2.873 -6.293) 7.703 10.390 ( -1.028 8.780 -3.178) 9.394 11.122 ( -6.728 -6.085 1.200) 9.150 11.322 ( -1.599 -4.159 0.458) 4.479 11.436 ( -4.115 0.542 3.864) 5.671 11.799 ( 0.674 -1.951 1.474) 2.536 12.192 ( 0.093 -9.693 2.820) 10.095 12.413 ( 4.841 -0.831 -1.842) 5.246 12.662 ( 3.350 1.239 0.514) 3.609 12.892 ( -1.145 13.025 -0.056) 13.075 13.486 ( -0.777 0.628 -1.561) 1.853 17.832 ( 3.231 0.841 0.305) 3.353 18.119 ( -4.161 -3.468 0.333) 5.427 22.831 ( -0.187 -2.321 0.565) 2.396 23.417 ( -1.014 -5.927 -0.785) 6.065 23.656 ( -3.733 8.300 0.524) 9.116 24.217 ( -12.747 -6.880 10.805) 18.071 25.730 ( 5.644 7.197 4.601) 10.238 26.213 ( 11.172 -0.963 -14.982) 18.713 ======================= Grid point 22 (15/185) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 5.578 15.470 1.930) 16.558 1.853 ( 4.578 12.555 -0.221) 13.365 2.277 ( 5.891 2.895 3.937) 7.654 2.422 ( 3.640 8.619 1.436) 9.466 2.515 ( -7.744 4.545 -0.714) 9.008 2.619 ( -2.072 -0.190 5.219) 5.618 2.643 ( -0.221 1.768 -5.858) 6.123 3.158 ( 4.479 -4.339 -1.845) 6.503 3.165 ( 1.421 -4.104 -0.544) 4.377 3.237 ( -4.675 -5.400 -3.258) 7.850 3.247 ( -6.695 -4.444 1.858) 8.248 3.604 ( -0.843 -0.843 -2.127) 2.438 3.774 ( 0.989 7.173 2.998) 7.837 3.958 ( -0.119 12.115 0.327) 12.120 4.034 ( 2.242 -0.185 -2.403) 3.292 4.312 ( 7.050 -3.436 -1.717) 8.028 4.450 ( -2.745 1.780 -2.799) 4.305 4.847 ( 4.904 3.598 3.989) 7.273 5.064 ( -9.838 -6.328 -2.059) 11.877 5.284 ( 0.862 2.837 4.871) 5.703 5.542 ( -1.561 1.093 -0.687) 2.026 5.681 ( 0.814 -2.608 -0.378) 2.758 5.896 ( 3.806 -0.080 -1.428) 4.066 5.986 ( -3.327 -0.411 1.757) 3.784 6.133 ( 2.383 -1.764 7.591) 8.149 6.356 ( -4.996 0.536 -7.330) 8.886 7.108 ( -1.675 -4.440 1.648) 5.023 7.230 ( 1.765 2.667 0.781) 3.293 7.707 ( 1.816 -3.723 -1.986) 4.594 7.881 ( -1.352 -5.660 0.001) 5.819 8.165 ( 3.367 11.086 0.714) 11.608 8.400 ( 6.714 7.822 1.029) 10.359 8.566 ( -8.479 5.798 -0.275) 10.276 9.557 ( 1.619 -6.006 -0.398) 6.233 9.904 ( 7.047 4.092 -0.560) 8.168 10.104 ( -10.346 4.292 -4.154) 11.946 10.497 ( 4.806 -2.663 -0.264) 5.501 11.018 ( -4.698 -10.443 1.031) 11.498 11.327 ( 1.815 -1.561 -0.624) 2.474 11.385 ( -3.625 1.207 1.806) 4.226 11.815 ( 0.255 -2.135 0.481) 2.203 12.206 ( 0.094 -10.363 0.787) 10.394 12.467 ( 1.977 -1.334 -0.699) 2.485 12.715 ( 1.934 -0.353 0.187) 1.975 12.870 ( -1.045 14.861 0.016) 14.898 13.469 ( -0.229 1.897 -0.600) 2.003 17.887 ( 2.263 0.064 0.044) 2.264 18.056 ( -2.636 -2.808 0.201) 3.856 22.843 ( 0.598 -3.784 0.236) 3.838 23.390 ( -1.061 -7.418 -0.270) 7.499 23.620 ( -0.839 7.961 0.022) 8.005 24.119 ( -4.556 -7.121 3.905) 9.312 25.822 ( 2.004 8.849 1.647) 9.222 26.265 ( 3.587 0.540 -5.231) 6.365 ======================= Grid point 27 (16/185) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 24.113 0.000) 24.113 1.797 ( 0.000 27.059 0.000) 27.059 2.339 ( 0.000 0.061 0.000) 0.061 2.410 ( 0.000 11.436 0.000) 11.436 2.496 ( 0.000 -0.059 0.000) 0.059 2.747 ( 0.000 17.640 0.000) 17.640 2.919 ( 0.000 6.162 0.000) 6.162 2.984 ( 0.000 -0.404 0.000) 0.404 3.268 ( 0.000 7.045 0.000) 7.045 3.398 ( 0.000 -0.548 0.000) 0.548 3.580 ( 0.000 -1.827 0.000) 1.827 3.662 ( 0.000 4.300 0.000) 4.300 3.853 ( 0.000 -8.282 0.000) 8.282 3.982 ( 0.000 13.194 0.000) 13.194 4.146 ( 0.000 9.903 0.000) 9.903 4.358 ( 0.000 -2.471 0.000) 2.471 4.543 ( 0.000 -15.594 0.000) 15.594 4.675 ( 0.000 7.573 0.000) 7.573 5.109 ( 0.000 -7.222 0.000) 7.222 5.319 ( 0.000 -0.127 0.000) 0.127 5.409 ( 0.000 -0.014 0.000) 0.014 5.514 ( 0.000 -13.221 0.000) 13.221 5.598 ( 0.000 -7.972 0.000) 7.972 5.980 ( 0.000 -1.147 0.000) 1.147 6.128 ( 0.000 -1.714 0.000) 1.714 6.274 ( 0.000 -6.428 0.000) 6.428 7.128 ( 0.000 4.873 0.000) 4.873 7.513 ( 0.000 -2.870 0.000) 2.870 7.837 ( 0.000 8.955 0.000) 8.955 8.040 ( 0.000 8.885 0.000) 8.885 8.047 ( 0.000 -0.476 0.000) 0.476 8.436 ( 0.000 2.066 0.000) 2.066 8.566 ( 0.000 -9.158 0.000) 9.158 8.730 ( 0.000 -2.260 0.000) 2.260 9.944 ( 0.000 -1.332 0.000) 1.332 10.036 ( 0.000 -3.274 0.000) 3.274 11.258 ( 0.000 -0.250 0.000) 0.250 11.318 ( 0.000 0.484 0.000) 0.484 11.416 ( 0.000 -1.306 0.000) 1.306 11.503 ( 0.000 -3.977 0.000) 3.977 11.772 ( 0.000 -1.214 0.000) 1.214 11.807 ( 0.000 -0.944 0.000) 0.944 12.359 ( 0.000 3.646 0.000) 3.646 12.537 ( 0.000 -1.205 0.000) 1.205 13.164 ( 0.000 10.105 0.000) 10.105 13.510 ( 0.000 -3.020 0.000) 3.020 17.798 ( 0.000 4.332 0.000) 4.332 18.138 ( 0.000 -6.338 0.000) 6.338 23.063 ( 0.000 1.987 0.000) 1.987 23.310 ( 0.000 -5.675 0.000) 5.675 24.168 ( 0.000 11.364 0.000) 11.364 24.794 ( 0.000 -9.469 0.000) 9.469 25.315 ( 0.000 1.499 0.000) 1.499 25.454 ( 0.000 -1.706 0.000) 1.706 ======================= Grid point 28 (17/185) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 7.911 22.516 1.127) 23.892 1.795 ( 3.279 25.124 -5.885) 26.012 2.333 ( 0.602 3.625 -5.316) 6.463 2.395 ( -4.573 4.246 4.618) 7.763 2.514 ( 3.756 6.460 2.343) 7.831 2.771 ( 2.300 11.328 -2.888) 11.915 2.898 ( -2.857 0.269 2.087) 3.549 2.972 ( -1.178 2.794 1.064) 3.213 3.272 ( 0.184 7.675 -0.406) 7.688 3.420 ( -0.022 -2.200 1.066) 2.445 3.549 ( -0.035 0.502 -1.740) 1.812 3.709 ( 2.321 2.213 3.888) 5.040 3.867 ( -0.167 -1.663 0.165) 1.680 3.930 ( -5.965 4.585 0.584) 7.546 4.124 ( -2.095 10.713 -0.548) 10.929 4.231 ( -4.270 -3.671 -9.522) 11.063 4.536 ( -2.661 -9.548 -0.678) 9.935 4.761 ( 5.838 7.150 5.539) 10.765 5.127 ( 1.729 -5.292 -0.336) 5.577 5.327 ( -0.002 -5.477 1.513) 5.682 5.384 ( -1.453 2.669 -0.659) 3.110 5.499 ( -1.304 -10.428 2.348) 10.769 5.658 ( 4.230 -8.092 1.528) 9.258 5.990 ( 0.118 -1.499 1.243) 1.951 6.052 ( -5.286 -0.549 2.430) 5.844 6.413 ( 10.694 -8.309 0.813) 13.567 7.093 ( -2.415 4.998 -3.271) 6.443 7.431 ( -7.518 -1.499 -0.807) 7.708 7.870 ( 3.165 8.781 -0.639) 9.356 7.885 ( -8.057 3.928 0.057) 8.964 8.161 ( 3.011 2.994 0.238) 4.253 8.383 ( -1.192 4.462 0.908) 4.707 8.734 ( 1.948 -3.190 0.167) 3.741 8.767 ( 16.419 -9.791 -3.079) 19.363 9.930 ( -0.715 -0.839 -1.740) 2.060 10.055 ( 2.567 -3.957 -0.800) 4.784 11.180 ( -7.374 2.931 -5.177) 9.474 11.292 ( -7.194 0.398 -0.538) 7.225 11.374 ( -2.450 -3.154 6.769) 7.859 11.421 ( -6.345 -3.034 1.124) 7.123 11.758 ( 4.009 1.848 -5.745) 7.245 11.925 ( 5.097 -4.456 3.822) 7.775 12.352 ( -0.499 3.302 0.548) 3.385 12.546 ( 1.172 -1.658 0.070) 2.031 13.157 ( -0.426 10.503 -0.450) 10.521 13.504 ( -0.087 -2.661 -1.162) 2.905 17.804 ( 0.636 3.999 0.332) 4.063 18.126 ( -1.496 -6.053 0.336) 6.244 23.004 ( -5.348 3.054 -0.853) 6.218 23.315 ( -0.182 -6.436 0.824) 6.492 24.075 ( -9.154 10.297 0.618) 13.792 24.571 ( -21.827 -6.652 9.516) 24.723 25.444 ( 10.332 3.150 2.988) 11.207 25.682 ( 24.853 -5.011 -13.011) 28.497 ======================= Grid point 29 (18/185) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 8.753 19.291 1.616) 21.246 1.857 ( 8.100 20.158 -3.927) 22.076 2.322 ( 1.740 8.128 -5.535) 9.986 2.336 ( -1.192 0.577 1.125) 1.738 2.617 ( 1.909 5.699 5.538) 8.173 2.750 ( -2.142 5.644 -2.101) 6.392 2.872 ( -1.348 -3.814 -0.209) 4.050 2.962 ( -0.952 -1.361 1.429) 2.191 3.246 ( -1.019 0.984 -4.633) 4.845 3.347 ( -7.623 -2.397 -0.300) 7.997 3.616 ( 6.333 6.182 -2.606) 9.226 3.707 ( -12.802 7.799 0.758) 15.010 3.769 ( -0.354 -0.896 5.887) 5.966 3.913 ( 0.824 -4.976 -1.109) 5.164 4.056 ( -0.256 0.371 -2.646) 2.684 4.193 ( 3.232 10.528 -3.543) 11.569 4.476 ( -2.255 -5.130 -1.189) 5.729 4.895 ( 3.936 8.944 4.716) 10.850 5.148 ( 1.864 -2.170 -2.930) 4.095 5.302 ( -3.914 -5.035 2.375) 6.806 5.410 ( 2.928 -2.348 3.217) 4.943 5.517 ( 0.616 -6.571 3.715) 7.574 5.735 ( 3.456 -6.205 0.411) 7.114 5.959 ( -3.512 -6.267 1.449) 7.329 6.051 ( 0.528 5.333 5.079) 7.383 6.574 ( 5.052 -9.745 -0.263) 10.980 7.021 ( -0.867 4.021 -4.687) 6.236 7.291 ( -6.581 -0.508 -1.358) 6.739 7.759 ( -5.554 3.122 -0.161) 6.374 7.904 ( -0.966 0.805 -0.352) 1.306 8.197 ( 3.156 9.742 1.954) 10.426 8.419 ( 3.795 8.050 -0.885) 8.944 8.747 ( -0.049 -1.296 0.454) 1.374 9.055 ( 17.236 -12.980 -4.206) 21.983 9.899 ( -0.433 0.615 -3.061) 3.152 10.115 ( 5.112 -5.994 -1.400) 8.002 10.910 ( -16.016 7.652 -5.702) 18.643 11.159 ( -9.180 -3.677 1.196) 9.961 11.312 ( -3.207 -0.824 0.975) 3.452 11.430 ( -0.358 -1.954 5.682) 6.019 11.779 ( 1.012 1.843 -1.344) 2.496 12.002 ( 1.458 -6.488 1.424) 6.801 12.369 ( 2.456 2.452 -0.327) 3.486 12.582 ( 2.636 -2.503 0.585) 3.682 13.148 ( 0.035 11.347 -0.715) 11.369 13.494 ( 0.280 -1.665 -1.655) 2.365 17.825 ( 1.333 3.071 0.423) 3.374 18.092 ( -2.637 -5.252 0.535) 5.901 22.902 ( -4.992 3.871 -0.290) 6.323 23.306 ( -1.610 -7.857 0.523) 8.037 23.914 ( -8.856 8.040 0.925) 11.997 24.285 ( -17.950 -6.068 9.261) 21.090 25.670 ( 12.024 5.676 2.481) 13.526 25.990 ( 19.878 -4.836 -12.683) 24.071 ======================= Grid point 30 (19/185) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 9.063 15.403 2.757) 18.083 1.997 ( 8.754 15.630 -0.703) 17.928 2.298 ( 0.340 4.459 -0.971) 4.576 2.400 ( 4.986 2.013 0.336) 5.387 2.641 ( -2.028 1.977 2.980) 4.111 2.689 ( -3.354 3.047 -0.564) 4.567 2.795 ( -5.103 0.053 -6.676) 8.403 2.959 ( -1.805 -10.033 2.314) 10.453 3.175 ( -1.420 -4.671 -8.152) 9.502 3.199 ( -6.760 -4.564 -1.690) 8.330 3.454 ( -11.133 5.085 -2.235) 12.442 3.689 ( -0.579 6.895 0.784) 6.964 3.825 ( 1.497 4.024 7.513) 8.653 3.936 ( 2.920 -2.864 0.098) 4.092 4.116 ( 6.394 1.931 0.061) 6.679 4.233 ( 3.864 9.786 -3.575) 11.112 4.460 ( 1.339 -0.827 -0.768) 1.751 4.943 ( -1.032 10.362 1.409) 10.508 5.135 ( -1.262 -2.623 -4.454) 5.321 5.274 ( -1.443 0.020 5.634) 5.816 5.497 ( 3.626 -6.185 2.868) 7.722 5.563 ( 0.329 -3.280 4.872) 5.883 5.792 ( 3.820 -4.058 -1.489) 5.769 5.920 ( -2.335 -7.514 1.865) 8.087 6.108 ( 0.773 6.216 6.635) 9.125 6.537 ( -5.232 -2.882 -5.971) 8.445 7.021 ( 1.517 -2.807 -0.851) 3.302 7.203 ( -1.310 -1.785 -1.764) 2.831 7.688 ( -2.040 1.129 -1.323) 2.681 7.842 ( -5.451 -4.215 2.297) 7.264 8.319 ( 8.595 15.741 0.036) 17.935 8.476 ( 3.072 8.461 -0.402) 9.011 8.730 ( -2.525 0.566 0.356) 2.612 9.282 ( 11.317 -12.256 -3.024) 16.954 9.889 ( 2.621 2.452 -3.248) 4.841 10.196 ( 4.302 -8.203 -2.327) 9.550 10.604 ( -13.068 9.440 -3.493) 16.495 10.983 ( -11.525 -7.279 2.091) 13.790 11.302 ( 1.184 1.699 0.051) 2.071 11.447 ( -2.072 0.064 3.946) 4.458 11.779 ( -0.577 -0.000 0.836) 1.016 12.014 ( -0.256 -8.371 0.260) 8.379 12.421 ( 3.386 1.626 -0.805) 3.841 12.636 ( 2.500 -3.164 0.827) 4.117 13.148 ( 0.428 12.386 -0.651) 12.410 13.491 ( 0.707 -0.410 -1.330) 1.562 17.857 ( 1.959 1.763 0.256) 2.649 18.044 ( -3.117 -4.094 0.531) 5.172 22.839 ( -2.025 2.967 0.191) 3.597 23.269 ( -2.550 -8.836 0.082) 9.197 23.795 ( -5.176 5.919 0.462) 7.876 24.086 ( -11.557 -6.344 6.763) 14.817 25.874 ( 8.806 7.505 1.965) 11.736 26.182 ( 11.475 -2.454 -9.230) 14.929 ======================= Grid point 31 (20/185) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 6.768 14.272 2.370) 15.972 2.110 ( 3.163 13.411 -0.738) 13.799 2.321 ( 1.527 1.986 2.784) 3.745 2.487 ( 3.835 -1.853 1.797) 4.623 2.578 ( -6.447 1.570 -0.533) 6.657 2.635 ( -4.411 -0.215 -2.401) 5.027 2.658 ( 0.481 1.964 -4.445) 4.884 2.931 ( -1.922 -14.214 0.908) 14.372 3.092 ( -1.239 -4.566 -4.151) 6.294 3.119 ( -1.662 -7.115 -1.387) 7.437 3.308 ( -4.293 9.399 0.536) 10.347 3.671 ( -0.972 6.193 0.301) 6.276 3.885 ( 0.513 2.443 2.347) 3.426 4.001 ( 2.453 -2.768 1.514) 3.997 4.211 ( 2.040 9.277 2.062) 9.720 4.273 ( 3.706 0.905 -3.700) 5.315 4.493 ( 1.742 4.951 -0.227) 5.253 4.924 ( 0.228 5.487 -1.087) 5.598 5.047 ( -4.967 4.232 -0.058) 6.526 5.315 ( 1.263 -0.854 1.917) 2.450 5.562 ( 1.892 -6.294 0.884) 6.632 5.586 ( -0.830 0.500 2.384) 2.574 5.847 ( 2.825 -4.089 -1.078) 5.086 5.903 ( -1.005 -7.767 1.100) 7.909 6.175 ( 1.063 5.031 6.301) 8.133 6.384 ( -4.493 2.156 -6.689) 8.341 7.013 ( -1.145 -4.590 -0.000) 4.731 7.212 ( 1.600 -4.584 -0.619) 4.895 7.661 ( -0.223 -0.590 -1.082) 1.252 7.782 ( -2.594 -4.334 1.717) 5.335 8.445 ( 4.386 16.787 -1.378) 17.405 8.540 ( 4.789 6.479 1.558) 8.206 8.658 ( -5.432 3.589 -0.396) 6.522 9.399 ( 3.597 -10.670 -0.870) 11.294 9.967 ( 8.355 2.483 -1.257) 8.806 10.141 ( -8.684 -1.335 -2.164) 9.049 10.488 ( 0.950 2.338 -0.602) 2.594 10.818 ( -7.132 -9.300 1.097) 11.771 11.339 ( 2.333 2.578 -0.095) 3.478 11.421 ( -2.584 2.023 1.488) 3.604 11.776 ( -0.280 -1.565 0.538) 1.678 12.009 ( -0.210 -9.705 0.040) 9.707 12.462 ( 1.471 1.040 -0.370) 1.839 12.672 ( 0.916 -3.606 0.383) 3.740 13.151 ( 0.237 13.269 -0.269) 13.274 13.495 ( 0.408 0.454 -0.488) 0.782 17.892 ( 1.553 0.548 0.021) 1.647 17.998 ( -2.017 -2.977 0.277) 3.607 22.824 ( -0.219 1.779 0.139) 1.798 23.231 ( -1.399 -8.977 -0.034) 9.086 23.739 ( -1.518 4.580 0.043) 4.826 23.983 ( -4.100 -6.499 2.557) 8.099 25.993 ( 3.196 8.471 0.868) 9.095 26.265 ( 3.683 -0.794 -3.476) 5.126 ======================= Grid point 36 (21/185) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.000 22.251 0.000) 22.251 2.149 ( 0.000 -17.268 0.000) 17.268 2.210 ( 0.000 14.684 0.000) 14.684 2.394 ( 0.000 -6.225 0.000) 6.225 2.639 ( 0.000 12.727 0.000) 12.727 2.834 ( 0.000 -5.741 0.000) 5.741 3.057 ( 0.000 7.258 0.000) 7.258 3.125 ( 0.000 3.494 0.000) 3.494 3.383 ( 0.000 -0.543 0.000) 0.543 3.417 ( 0.000 -2.897 0.000) 2.897 3.606 ( 0.000 16.037 0.000) 16.037 3.705 ( 0.000 0.801 0.000) 0.801 3.763 ( 0.000 -0.003 0.000) 0.003 4.005 ( 0.000 -12.319 0.000) 12.319 4.265 ( 0.000 -1.398 0.000) 1.398 4.303 ( 0.000 -3.173 0.000) 3.173 4.518 ( 0.000 17.248 0.000) 17.248 4.856 ( 0.000 -16.392 0.000) 16.392 4.872 ( 0.000 12.636 0.000) 12.636 5.138 ( 0.000 -13.868 0.000) 13.868 5.352 ( 0.000 0.111 0.000) 0.111 5.440 ( 0.000 -7.520 0.000) 7.520 5.661 ( 0.000 15.017 0.000) 15.017 5.909 ( 0.000 -8.932 0.000) 8.932 6.086 ( 0.000 0.614 0.000) 0.614 6.155 ( 0.000 -5.495 0.000) 5.495 7.255 ( 0.000 7.853 0.000) 7.853 7.407 ( 0.000 -7.310 0.000) 7.310 7.995 ( 0.000 5.573 0.000) 5.573 8.042 ( 0.000 -0.503 0.000) 0.503 8.189 ( 0.000 8.087 0.000) 8.087 8.374 ( 0.000 -10.387 0.000) 10.387 8.526 ( 0.000 6.603 0.000) 6.603 8.652 ( 0.000 -5.687 0.000) 5.687 9.940 ( 0.000 0.957 0.000) 0.957 9.977 ( 0.000 -2.686 0.000) 2.686 11.271 ( 0.000 1.461 0.000) 1.461 11.306 ( 0.000 -1.717 0.000) 1.717 11.407 ( 0.000 0.707 0.000) 0.707 11.439 ( 0.000 -2.553 0.000) 2.553 11.768 ( 0.000 0.575 0.000) 0.575 11.786 ( 0.000 -1.158 0.000) 1.158 12.432 ( 0.000 3.724 0.000) 3.724 12.497 ( 0.000 -2.842 0.000) 2.842 13.330 ( 0.000 7.094 0.000) 7.094 13.440 ( 0.000 -4.451 0.000) 4.451 17.895 ( 0.000 5.671 0.000) 5.671 18.013 ( 0.000 -6.468 0.000) 6.468 23.118 ( 0.000 3.722 0.000) 3.722 23.204 ( 0.000 -5.155 0.000) 5.155 24.388 ( 0.000 11.316 0.000) 11.316 24.600 ( 0.000 -10.605 0.000) 10.605 25.356 ( 0.000 2.643 0.000) 2.643 25.410 ( 0.000 -2.729 0.000) 2.729 ======================= Grid point 37 (22/185) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 6.068 21.146 -0.169) 22.000 2.149 ( 3.103 -1.388 -7.491) 8.226 2.234 ( 1.442 0.150 2.533) 2.919 2.370 ( -1.625 -4.585 -0.998) 4.965 2.659 ( 1.273 9.591 2.128) 9.907 2.812 ( -2.042 -4.912 -0.932) 5.400 2.982 ( -4.832 7.568 -4.766) 10.165 3.079 ( -4.068 0.684 -2.503) 4.825 3.320 ( -4.646 -0.774 -3.608) 5.933 3.376 ( -4.256 -4.948 0.068) 6.527 3.688 ( 6.244 13.576 2.087) 15.088 3.740 ( 0.732 1.578 5.900) 6.151 3.803 ( 2.667 0.447 2.380) 3.602 3.989 ( -2.569 -5.643 -0.863) 6.260 4.142 ( -8.661 1.161 -4.981) 10.058 4.247 ( -4.924 -6.522 2.456) 8.533 4.549 ( 3.396 15.400 -2.146) 15.915 4.871 ( 2.009 -14.882 0.625) 15.030 4.956 ( 6.818 9.683 1.129) 11.897 5.171 ( 2.286 -10.609 1.686) 10.983 5.372 ( 1.257 0.801 2.119) 2.591 5.473 ( 1.659 -7.368 3.780) 8.445 5.631 ( -2.211 12.485 -0.479) 12.688 5.865 ( -4.255 -10.394 0.117) 11.232 6.107 ( 2.504 5.580 2.251) 6.517 6.247 ( 7.072 -8.503 1.164) 11.121 7.214 ( -2.727 7.256 -3.690) 8.585 7.350 ( -4.470 -6.257 -3.062) 8.277 7.942 ( -7.766 2.240 0.332) 8.090 7.963 ( -4.163 0.792 0.334) 4.250 8.288 ( 8.175 10.114 0.596) 13.018 8.467 ( 7.221 -2.213 2.256) 7.882 8.580 ( 8.092 -2.232 -3.564) 9.119 8.668 ( 2.168 -5.405 -0.876) 5.889 9.936 ( 0.366 1.471 -1.739) 2.307 9.984 ( 1.430 -3.284 -1.446) 3.862 11.230 ( -6.442 2.659 0.422) 6.982 11.281 ( -9.318 -2.099 1.116) 9.616 11.339 ( -1.931 0.169 4.316) 4.731 11.367 ( -5.412 -2.324 2.084) 6.248 11.801 ( 4.996 2.521 -4.549) 7.212 11.855 ( 5.105 -3.068 -1.218) 6.080 12.424 ( -0.533 3.946 0.138) 3.985 12.496 ( 0.223 -3.353 -0.001) 3.361 13.329 ( 0.247 7.261 -0.670) 7.296 13.439 ( 0.366 -4.316 -0.902) 4.424 17.895 ( -0.117 5.327 0.367) 5.341 18.006 ( -0.861 -6.143 0.403) 6.216 23.081 ( -3.620 4.903 -0.403) 6.107 23.190 ( -1.825 -6.299 0.361) 6.568 24.264 ( -12.460 9.229 1.827) 15.613 24.430 ( -16.899 -7.985 4.376) 19.195 25.511 ( 14.789 3.883 -0.923) 15.318 25.592 ( 19.163 -4.450 -5.382) 20.396 ======================= Grid point 38 (23/185) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 6.258 18.476 -1.237) 19.546 2.161 ( 4.581 5.441 -6.032) 9.326 2.272 ( 1.298 -2.854 0.193) 3.141 2.365 ( 2.988 -3.309 -1.186) 4.614 2.700 ( -0.382 3.526 3.680) 5.111 2.759 ( -2.788 -3.544 -0.002) 4.509 2.854 ( -5.121 5.022 -5.179) 8.847 2.959 ( -4.782 -4.003 -8.014) 10.155 3.200 ( -5.910 0.170 -2.379) 6.373 3.274 ( -7.262 -5.232 -0.300) 8.956 3.741 ( -2.424 4.298 -0.202) 4.938 3.810 ( -3.256 -1.928 4.776) 6.093 3.827 ( -0.742 5.727 2.757) 6.400 3.891 ( -3.683 2.350 -0.735) 4.431 4.051 ( 3.732 4.663 -0.772) 6.022 4.226 ( 0.895 -8.483 1.467) 8.655 4.599 ( 4.250 16.555 -2.351) 17.253 4.923 ( 3.237 -15.558 0.059) 15.891 5.082 ( 5.715 8.133 1.233) 10.016 5.221 ( 0.992 -5.647 3.394) 6.663 5.416 ( 1.244 3.079 2.098) 3.928 5.520 ( 0.250 -0.301 3.098) 3.123 5.627 ( 1.826 1.117 2.644) 3.402 5.792 ( -3.757 -10.286 0.656) 10.970 6.184 ( 3.203 8.512 3.371) 9.699 6.372 ( 5.148 -10.587 1.467) 11.863 7.122 ( -3.107 6.040 -6.029) 9.082 7.233 ( -4.699 -4.948 -5.107) 8.524 7.814 ( -7.179 2.771 1.429) 7.826 7.868 ( -7.062 -2.838 2.153) 7.909 8.457 ( 10.003 14.762 -0.190) 17.832 8.580 ( 5.239 8.169 -0.282) 9.708 8.679 ( 2.127 -5.966 -0.359) 6.344 8.792 ( 14.586 -13.739 -3.948) 20.423 9.932 ( 1.376 2.852 -2.907) 4.298 10.008 ( 3.036 -4.913 -2.392) 6.251 11.017 ( -15.473 4.055 0.397) 16.001 11.087 ( -13.490 -3.571 2.147) 14.119 11.331 ( 0.069 2.260 1.681) 2.817 11.383 ( 0.605 -2.812 4.743) 5.547 11.829 ( 1.088 3.127 -3.205) 4.608 11.899 ( 1.217 -4.292 -2.144) 4.950 12.433 ( 1.643 4.039 0.208) 4.366 12.515 ( 1.867 -4.176 0.407) 4.593 13.333 ( 0.950 7.630 -0.971) 7.750 13.443 ( 1.071 -3.937 -1.284) 4.278 17.896 ( -0.045 4.347 0.502) 4.376 17.990 ( -1.443 -5.215 0.601) 5.444 23.003 ( -4.429 6.561 -0.198) 7.919 23.147 ( -3.157 -8.163 0.340) 8.759 24.053 ( -12.037 6.504 2.060) 13.835 24.171 ( -15.280 -5.915 4.620) 17.024 25.782 ( 15.583 5.838 -1.224) 16.686 25.891 ( 18.111 -5.433 -5.811) 19.781 ======================= Grid point 39 (24/185) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 6.390 14.631 -1.236) 16.013 2.219 ( 5.489 -0.121 -2.469) 6.019 2.311 ( 3.305 4.455 0.138) 5.549 2.428 ( 3.470 -1.761 -0.301) 3.903 2.656 ( -5.398 0.608 1.120) 5.546 2.715 ( -6.400 -3.199 1.953) 7.417 2.751 ( -0.859 -0.410 -4.639) 4.736 2.802 ( -4.718 -4.667 -10.191) 12.162 3.083 ( -5.686 -0.960 -1.134) 5.876 3.127 ( -7.943 -4.146 -1.250) 9.047 3.619 ( -6.064 11.210 -0.375) 12.751 3.795 ( -1.244 2.393 3.479) 4.402 3.837 ( -0.797 -6.797 -0.645) 6.874 3.864 ( -0.468 -1.424 3.147) 3.486 4.176 ( 7.356 5.677 0.550) 9.308 4.274 ( 3.550 -3.641 -0.596) 5.120 4.662 ( 4.286 17.249 -1.001) 17.802 4.971 ( 1.802 -12.390 -0.086) 12.520 5.160 ( 2.117 6.728 0.935) 7.115 5.253 ( -0.523 -1.536 3.981) 4.299 5.434 ( 0.723 3.025 -0.306) 3.125 5.554 ( 0.660 -1.799 2.721) 3.328 5.701 ( 3.342 -3.392 2.584) 5.418 5.758 ( -1.067 -7.234 2.165) 7.626 6.254 ( 1.421 8.684 3.823) 9.594 6.425 ( 0.055 -8.280 -0.204) 8.283 7.033 ( -1.962 3.722 -5.055) 6.577 7.129 ( -2.265 -5.236 -5.198) 7.718 7.720 ( -4.537 2.143 1.354) 5.197 7.770 ( -5.841 -3.091 2.980) 7.250 8.588 ( 4.317 8.611 0.245) 9.636 8.668 ( 5.114 8.506 -4.905) 11.070 8.718 ( 3.446 3.720 2.652) 5.722 9.008 ( 11.866 -15.937 -2.943) 20.086 9.951 ( 3.517 4.139 -3.008) 6.209 10.052 ( 3.817 -6.458 -2.570) 7.929 10.749 ( -14.114 6.069 -0.064) 15.363 10.858 ( -13.507 -5.781 1.690) 14.789 11.362 ( 1.739 3.817 1.617) 4.495 11.426 ( 0.292 -2.354 3.886) 4.553 11.802 ( -1.655 2.515 -1.281) 3.271 11.879 ( -1.286 -5.503 -1.717) 5.907 12.475 ( 2.475 3.819 0.033) 4.551 12.558 ( 2.220 -4.555 0.524) 5.094 13.347 ( 1.323 8.056 -0.801) 8.203 13.457 ( 1.440 -3.496 -1.026) 3.918 17.901 ( 0.253 2.888 0.370) 2.923 17.967 ( -1.569 -3.818 0.532) 4.162 22.937 ( -2.894 6.874 0.069) 7.459 23.093 ( -2.986 -9.035 0.205) 9.518 23.892 ( -7.561 4.468 1.373) 8.889 23.979 ( -9.841 -4.849 3.399) 11.485 26.010 ( 10.775 6.381 -0.816) 12.549 26.115 ( 11.510 -4.467 -4.415) 13.112 ======================= Grid point 40 (25/185) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 7.274 11.259 0.425) 13.412 2.302 ( 3.212 -1.488 -0.988) 3.675 2.372 ( 2.540 8.463 0.959) 8.887 2.445 ( -0.764 -0.260 1.373) 1.593 2.539 ( -7.487 -2.718 -1.387) 8.085 2.637 ( -0.774 -8.869 -3.057) 9.413 2.671 ( -2.084 1.330 -1.997) 3.178 2.706 ( -2.529 -2.617 -1.424) 3.908 3.004 ( -1.746 -3.167 -1.456) 3.898 3.012 ( -3.743 -3.339 0.039) 5.016 3.562 ( -1.212 15.317 0.400) 15.370 3.788 ( -0.858 5.442 0.823) 5.570 3.846 ( 0.575 -12.783 0.866) 12.826 3.871 ( -0.373 -3.098 1.112) 3.313 4.277 ( 3.503 2.831 0.176) 4.507 4.318 ( 1.630 -0.671 -1.336) 2.212 4.724 ( 2.448 16.254 0.309) 16.441 4.979 ( -0.312 -5.771 -0.313) 5.787 5.179 ( -0.188 7.715 0.875) 7.767 5.265 ( -0.187 -1.015 1.217) 1.595 5.450 ( 0.790 -1.294 0.313) 1.548 5.565 ( -0.159 -6.810 0.030) 6.812 5.760 ( 1.089 -2.700 1.707) 3.375 5.780 ( 1.150 -2.943 1.051) 3.330 6.292 ( 0.258 6.493 2.670) 7.025 6.391 ( -1.669 -2.637 -1.722) 3.564 6.980 ( -0.959 2.232 -1.838) 3.046 7.085 ( 0.065 -7.332 -2.119) 7.632 7.675 ( -1.487 1.630 0.524) 2.267 7.716 ( -2.132 -2.661 1.406) 3.688 8.639 ( 1.607 3.769 0.593) 4.140 8.674 ( 0.020 0.826 -1.885) 2.058 8.808 ( 3.164 17.357 0.319) 17.646 9.141 ( 4.449 -15.934 -1.018) 16.575 10.013 ( 5.010 2.702 -1.521) 5.892 10.078 ( -0.170 -3.969 -1.276) 4.173 10.566 ( -5.351 4.962 0.021) 7.298 10.671 ( -7.422 -6.173 0.837) 9.690 11.405 ( 1.710 3.483 0.665) 3.937 11.444 ( -0.608 -0.189 1.552) 1.678 11.770 ( -0.985 1.459 -0.260) 1.780 11.848 ( -0.832 -6.587 -0.636) 6.670 12.508 ( 1.051 3.587 -0.024) 3.738 12.590 ( 0.868 -4.620 0.218) 4.706 13.361 ( 0.637 8.373 -0.303) 8.403 13.472 ( 0.694 -3.229 -0.375) 3.324 17.910 ( 0.405 1.385 0.104) 1.446 17.946 ( -0.930 -2.355 0.237) 2.543 22.905 ( -0.869 6.312 0.072) 6.372 23.055 ( -1.252 -8.889 0.063) 8.977 23.810 ( -2.499 3.246 0.437) 4.120 23.879 ( -3.428 -4.261 1.276) 5.616 26.136 ( 3.806 6.161 -0.220) 7.245 26.227 ( 3.859 -3.264 -1.701) 5.333 ======================= Grid point 81 (26/185) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -7.871 0.000 25.135) 26.338 0.602 ( -4.517 0.000 28.780) 29.133 0.787 ( 10.890 0.000 39.880) 41.340 1.555 ( 2.702 0.000 -14.996) 15.237 2.115 ( 1.267 0.000 8.533) 8.626 2.846 ( 1.133 0.000 -0.082) 1.136 3.042 ( 1.950 0.000 -16.967) 17.079 3.043 ( -7.289 0.000 -2.370) 7.664 3.187 ( 8.263 0.000 2.587) 8.659 3.208 ( 1.847 0.000 -2.532) 3.135 3.352 ( 3.165 0.000 3.227) 4.520 3.397 ( -0.082 0.000 -0.051) 0.096 3.637 ( -0.781 0.000 9.916) 9.947 3.987 ( 0.162 0.000 -0.952) 0.966 4.229 ( -2.065 0.000 -2.564) 3.293 4.432 ( -4.033 0.000 -6.166) 7.368 4.494 ( -4.031 0.000 -7.373) 8.403 4.622 ( 5.237 0.000 2.194) 5.678 5.364 ( 2.274 0.000 2.187) 3.155 5.548 ( 3.073 0.000 -0.152) 3.077 5.682 ( -0.004 0.000 -1.166) 1.166 5.766 ( 5.607 0.000 -0.433) 5.624 6.012 ( -0.543 0.000 -3.194) 3.240 6.062 ( 9.441 0.000 -3.052) 9.922 6.201 ( -10.422 0.000 2.445) 10.705 6.766 ( 1.620 0.000 0.647) 1.745 7.040 ( -5.778 0.000 4.941) 7.602 7.267 ( 1.981 0.000 -0.697) 2.100 7.565 ( 32.001 0.000 1.825) 32.053 7.578 ( 0.053 0.000 -1.134) 1.135 8.273 ( 10.302 0.000 -5.133) 11.510 8.499 ( -0.568 0.000 0.339) 0.662 8.793 ( -0.492 0.000 7.089) 7.106 8.936 ( -52.130 0.000 -0.070) 52.130 9.722 ( 0.080 0.000 1.097) 1.100 10.014 ( -0.599 0.000 -3.449) 3.500 10.171 ( 0.538 0.000 0.570) 0.784 11.258 ( -0.083 0.000 -0.507) 0.514 11.433 ( -0.401 0.000 -0.728) 0.831 11.641 ( 1.550 0.000 0.974) 1.831 11.899 ( 1.004 0.000 -1.935) 2.180 12.273 ( -1.242 0.000 0.558) 1.361 12.498 ( 0.123 0.000 -0.772) 0.782 12.536 ( 0.175 0.000 0.271) 0.323 12.925 ( 16.402 0.000 4.413) 16.985 13.823 ( -6.846 0.000 -3.205) 7.559 17.677 ( 0.507 0.000 0.022) 0.507 18.364 ( -0.521 0.000 0.937) 1.072 23.027 ( -0.402 0.000 -0.557) 0.687 23.084 ( 0.094 0.000 -0.002) 0.094 23.677 ( -0.000 0.000 -0.377) 0.377 24.041 ( 62.946 0.000 -0.280) 62.947 25.141 ( 1.174 0.000 0.749) 1.393 26.916 ( -62.396 0.000 -0.192) 62.396 ======================= Grid point 82 (27/185) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -0.478 0.000 13.737) 13.746 0.742 ( 13.891 0.000 19.121) 23.634 1.407 ( 23.627 0.000 33.270) 40.806 1.597 ( 10.744 0.000 -5.055) 11.874 2.203 ( 1.610 0.000 7.306) 7.481 2.849 ( -0.985 0.000 -1.163) 1.524 2.855 ( -10.694 0.000 -0.638) 10.713 3.017 ( 5.669 0.000 -15.733) 16.723 3.112 ( -2.666 0.000 -0.438) 2.702 3.318 ( -2.392 0.000 6.253) 6.695 3.355 ( 5.761 0.000 1.330) 5.913 3.419 ( 3.789 0.000 -0.298) 3.801 3.906 ( -8.129 0.000 -1.105) 8.203 3.954 ( 16.404 0.000 -4.718) 17.069 4.158 ( -2.622 0.000 -6.428) 6.942 4.297 ( -5.956 0.000 -5.262) 7.948 4.369 ( -2.425 0.000 -9.007) 9.327 4.721 ( 4.415 0.000 2.698) 5.174 5.367 ( -2.482 0.000 -0.253) 2.495 5.602 ( 1.421 0.000 2.717) 3.066 5.673 ( -0.394 0.000 -1.092) 1.161 5.763 ( -2.908 0.000 -2.961) 4.150 6.000 ( -11.352 0.000 1.245) 11.420 6.042 ( 5.994 0.000 -3.339) 6.861 6.206 ( 6.919 0.000 0.710) 6.955 6.850 ( -19.276 0.000 6.952) 20.491 6.938 ( 15.691 0.000 0.053) 15.691 7.209 ( -12.407 0.000 5.290) 13.488 7.454 ( -15.347 0.000 15.535) 21.837 7.588 ( 2.157 0.000 -1.239) 2.488 8.100 ( -2.238 0.000 -1.925) 2.952 8.458 ( -4.470 0.000 0.767) 4.535 8.821 ( -3.145 0.000 8.723) 9.273 9.266 ( 36.582 0.000 -23.262) 43.352 9.732 ( -0.059 0.000 1.454) 1.455 9.944 ( -3.511 0.000 -5.001) 6.110 10.229 ( 5.603 0.000 0.134) 5.604 11.246 ( -0.724 0.000 -0.580) 0.927 11.429 ( 0.477 0.000 -0.714) 0.859 11.672 ( 0.817 0.000 0.652) 1.045 11.887 ( -0.227 0.000 -1.912) 1.926 12.282 ( 1.684 0.000 1.193) 2.064 12.470 ( -1.805 0.000 -0.543) 1.885 12.571 ( 2.566 0.000 0.055) 2.567 12.931 ( -14.560 0.000 11.361) 18.468 13.608 ( -8.760 0.000 -0.876) 8.804 17.703 ( 2.194 0.000 0.290) 2.213 18.341 ( -2.829 0.000 0.910) 2.972 23.025 ( 1.667 0.000 -1.775) 2.435 23.095 ( 1.110 0.000 0.038) 1.110 23.663 ( -1.247 0.000 -0.443) 1.323 24.989 ( 42.198 0.000 -27.202) 50.206 25.135 ( 4.007 0.000 -2.840) 4.911 26.058 ( -41.785 0.000 29.694) 51.261 ======================= Grid point 83 (28/185) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 6.911 0.000 1.381) 7.048 1.150 ( 16.547 0.000 14.391) 21.929 1.808 ( 12.768 0.000 1.725) 12.884 2.042 ( 22.349 0.000 25.364) 33.806 2.267 ( -0.351 0.000 5.655) 5.665 2.677 ( -9.840 0.000 1.874) 10.017 2.764 ( -5.091 0.000 -4.603) 6.864 2.994 ( -0.203 0.000 0.351) 0.405 3.192 ( 14.080 0.000 -12.733) 18.984 3.354 ( 2.391 0.000 4.072) 4.722 3.398 ( 0.915 0.000 -1.912) 2.120 3.494 ( 1.868 0.000 0.892) 2.070 3.726 ( -8.947 0.000 -2.344) 9.249 4.005 ( -7.829 0.000 -6.159) 9.961 4.084 ( 3.805 0.000 -11.813) 12.411 4.183 ( -2.096 0.000 -2.299) 3.111 4.297 ( 1.084 0.000 -6.190) 6.284 4.830 ( 5.200 0.000 3.053) 6.030 5.287 ( -4.886 0.000 -2.548) 5.511 5.587 ( -4.390 0.000 1.009) 4.505 5.638 ( -3.205 0.000 -0.255) 3.215 5.745 ( 0.292 0.000 5.043) 5.051 5.869 ( -4.195 0.000 0.644) 4.244 6.103 ( 1.764 0.000 -0.932) 1.995 6.298 ( 2.324 0.000 2.052) 3.101 6.544 ( -18.705 0.000 2.609) 18.887 7.051 ( -7.669 0.000 4.997) 9.153 7.270 ( 21.639 0.000 -1.218) 21.673 7.400 ( -6.436 0.000 11.331) 13.031 7.631 ( 3.474 0.000 -0.939) 3.599 8.074 ( 1.088 0.000 -5.360) 5.470 8.367 ( -6.608 0.000 2.338) 7.009 8.803 ( -6.999 0.000 9.207) 11.565 9.589 ( 20.261 0.000 -16.951) 26.417 9.739 ( -0.727 0.000 1.642) 1.795 9.831 ( -4.148 0.000 -5.569) 6.944 10.349 ( 7.923 0.000 -1.453) 8.055 11.227 ( -1.004 0.000 -0.432) 1.093 11.430 ( 0.163 0.000 -0.689) 0.708 11.658 ( -2.782 0.000 -1.688) 3.254 11.874 ( 0.208 0.000 -0.957) 0.980 12.331 ( 1.726 0.000 2.476) 3.018 12.437 ( -1.488 0.000 -0.414) 1.545 12.615 ( 2.435 0.000 -0.119) 2.438 12.768 ( -11.473 0.000 12.509) 16.974 13.500 ( -3.250 0.000 -2.824) 4.306 17.756 ( 3.482 0.000 0.199) 3.487 18.282 ( -4.551 0.000 0.907) 4.640 23.053 ( 3.462 0.000 -3.215) 4.725 23.122 ( 1.804 0.000 0.016) 1.804 23.630 ( -2.044 0.000 -0.397) 2.082 24.913 ( -19.074 0.000 11.762) 22.409 25.459 ( 22.072 0.000 -28.958) 36.411 25.853 ( -3.000 0.000 19.232) 19.464 ======================= Grid point 84 (29/185) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 12.365 0.000 -0.653) 12.383 1.499 ( 11.341 0.000 11.597) 16.221 2.018 ( 9.760 0.000 -0.342) 9.766 2.253 ( -5.397 0.000 2.761) 6.062 2.498 ( 8.650 0.000 12.366) 15.090 2.544 ( -7.826 0.000 3.742) 8.675 2.640 ( -2.060 0.000 -7.135) 7.426 3.035 ( 6.013 0.000 1.646) 6.235 3.338 ( 7.599 0.000 -1.950) 7.845 3.340 ( -5.730 0.000 -1.493) 5.921 3.479 ( 10.883 0.000 -3.917) 11.566 3.515 ( 1.022 0.000 2.276) 2.494 3.611 ( -1.695 0.000 -4.259) 4.584 3.807 ( -8.712 0.000 -4.261) 9.698 3.975 ( -4.246 0.000 -7.351) 8.489 4.213 ( 7.005 0.000 -4.166) 8.150 4.311 ( 3.563 0.000 -2.539) 4.376 4.907 ( 0.399 0.000 1.111) 1.181 5.185 ( -4.070 0.000 -1.760) 4.434 5.535 ( -2.219 0.000 2.510) 3.351 5.572 ( -3.784 0.000 0.250) 3.792 5.760 ( -6.672 0.000 9.518) 11.624 5.837 ( -0.154 0.000 -1.022) 1.033 6.076 ( -5.392 0.000 0.802) 5.451 6.281 ( -8.239 0.000 -2.660) 8.658 6.326 ( -0.296 0.000 1.208) 1.244 7.008 ( 0.809 0.000 -2.806) 2.920 7.348 ( -7.752 0.000 7.395) 10.714 7.637 ( 17.406 0.000 -2.331) 17.561 7.700 ( 8.015 0.000 -0.081) 8.016 8.053 ( 1.064 0.000 -4.645) 4.765 8.280 ( -5.833 0.000 4.668) 7.471 8.698 ( -12.576 0.000 7.898) 14.851 9.696 ( -3.322 0.000 -2.312) 4.047 9.772 ( 0.049 0.000 -0.364) 0.367 9.785 ( 13.582 0.000 -8.651) 16.103 10.470 ( 7.102 0.000 -1.893) 7.350 11.207 ( -0.840 0.000 -0.199) 0.863 11.422 ( -0.637 0.000 -1.600) 1.722 11.540 ( -6.962 0.000 -4.088) 8.074 11.884 ( 0.583 0.000 1.378) 1.496 12.375 ( 2.119 0.000 0.748) 2.247 12.413 ( -0.877 0.000 -0.237) 0.908 12.651 ( 1.706 0.000 -0.335) 1.739 12.733 ( -3.848 0.000 11.377) 12.010 13.434 ( -1.993 0.000 -2.529) 3.220 17.824 ( 4.124 0.000 0.004) 4.124 18.200 ( -5.247 0.000 0.778) 5.305 23.092 ( 4.124 0.000 -4.696) 6.249 23.155 ( 1.808 0.000 -0.073) 1.810 23.590 ( -1.979 0.000 -0.250) 1.994 24.642 ( -20.580 0.000 11.482) 23.566 25.502 ( 6.535 0.000 -16.325) 17.584 26.076 ( 11.214 0.000 8.515) 14.080 ======================= Grid point 85 (30/185) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 8.482 0.000 1.458) 8.607 1.693 ( 0.494 0.000 9.808) 9.821 2.120 ( -6.512 0.000 -3.718) 7.499 2.158 ( 6.318 0.000 -1.375) 6.465 2.419 ( -6.854 0.000 -12.430) 14.195 2.434 ( -8.183 0.000 2.469) 8.547 2.663 ( 2.271 0.000 -4.551) 5.086 3.211 ( 6.101 0.000 3.809) 7.192 3.242 ( -3.287 0.000 -0.551) 3.333 3.413 ( -0.911 0.000 3.284) 3.408 3.566 ( -0.351 0.000 -0.043) 0.354 3.569 ( 0.230 0.000 -4.594) 4.600 3.585 ( 3.406 0.000 0.989) 3.546 3.725 ( 5.381 0.000 3.811) 6.594 3.940 ( 4.503 0.000 -0.447) 4.525 4.359 ( 13.467 0.000 -6.838) 15.103 4.362 ( 3.203 0.000 -0.181) 3.208 4.831 ( -9.913 0.000 1.288) 9.996 5.135 ( -0.928 0.000 0.015) 0.928 5.521 ( -1.742 0.000 0.151) 1.748 5.528 ( -2.030 0.000 1.955) 2.819 5.662 ( -8.696 0.000 6.452) 10.828 5.830 ( 0.394 0.000 -2.158) 2.193 5.947 ( -6.424 0.000 -0.969) 6.497 6.245 ( 2.119 0.000 0.697) 2.231 6.315 ( -1.124 0.000 -0.327) 1.171 6.993 ( 1.329 0.000 -9.507) 9.600 7.250 ( -6.279 0.000 1.952) 6.575 7.720 ( 1.804 0.000 -0.431) 1.855 8.008 ( 18.592 0.000 -2.268) 18.730 8.055 ( 1.945 0.000 -1.313) 2.346 8.241 ( -3.115 0.000 5.932) 6.700 8.477 ( -17.914 0.000 5.516) 18.744 9.647 ( -0.325 0.000 -1.362) 1.400 9.782 ( 0.525 0.000 1.130) 1.246 9.941 ( 8.903 0.000 -2.643) 9.287 10.562 ( 4.114 0.000 -0.760) 4.184 11.197 ( -0.247 0.000 0.007) 0.247 11.313 ( -5.184 0.000 -9.756) 11.048 11.472 ( 0.453 0.000 0.306) 0.546 11.906 ( -0.055 0.000 2.875) 2.875 12.403 ( -0.180 0.000 -0.026) 0.182 12.415 ( 2.568 0.000 -1.749) 3.107 12.668 ( 0.654 0.000 -0.553) 0.856 12.755 ( -4.635 0.000 11.990) 12.855 13.401 ( 0.289 0.000 -1.645) 1.670 17.889 ( 2.610 0.000 -0.016) 2.610 18.123 ( -3.386 0.000 0.417) 3.412 23.120 ( 3.439 0.000 -6.039) 6.949 23.178 ( 0.787 0.000 -0.202) 0.812 23.564 ( -0.751 0.000 -0.056) 0.754 24.390 ( -14.812 0.000 5.724) 15.879 25.488 ( 4.137 0.000 -12.650) 13.309 26.314 ( 7.329 0.000 11.250) 13.427 ======================= Grid point 86 (31/185) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -7.031 0.000 4.105) 8.141 1.624 ( -14.569 0.000 4.139) 15.146 1.995 ( -0.394 0.000 -8.468) 8.477 2.182 ( -8.148 0.000 -15.245) 17.286 2.246 ( -1.573 0.000 -5.431) 5.655 2.323 ( 0.101 0.000 5.675) 5.676 2.652 ( 1.919 0.000 -5.934) 6.237 3.185 ( -9.280 0.000 1.867) 9.466 3.237 ( 3.663 0.000 -1.232) 3.864 3.342 ( -5.260 0.000 1.536) 5.480 3.538 ( -2.185 0.000 0.240) 2.198 3.659 ( 11.168 0.000 -1.760) 11.306 3.666 ( 2.980 0.000 1.311) 3.256 3.885 ( 3.667 0.000 6.522) 7.482 4.113 ( 11.380 0.000 7.585) 13.676 4.427 ( 2.784 0.000 4.244) 5.076 4.488 ( 2.066 0.000 -6.538) 6.857 4.645 ( -6.708 0.000 -1.788) 6.942 5.135 ( 1.375 0.000 -2.686) 3.018 5.489 ( -1.257 0.000 0.333) 1.301 5.530 ( 2.023 0.000 2.753) 3.417 5.592 ( -4.376 0.000 3.528) 5.621 5.815 ( 0.071 0.000 -2.754) 2.755 5.887 ( 0.704 0.000 -2.502) 2.599 6.287 ( -0.996 0.000 -1.788) 2.047 6.306 ( 2.404 0.000 3.938) 4.614 6.887 ( -2.872 0.000 -13.303) 13.609 7.191 ( -0.931 0.000 -1.363) 1.651 7.728 ( -0.597 0.000 -0.138) 0.613 8.099 ( -17.515 0.000 -0.077) 17.515 8.109 ( 4.336 0.000 1.321) 4.533 8.249 ( -1.223 0.000 5.104) 5.248 8.335 ( 9.476 0.000 1.128) 9.543 9.658 ( 1.757 0.000 -0.308) 1.784 9.810 ( 1.660 0.000 1.759) 2.419 10.065 ( 5.573 0.000 2.888) 6.277 10.583 ( -1.914 0.000 0.162) 1.921 11.199 ( 3.409 0.000 -13.725) 14.142 11.200 ( 0.548 0.000 0.145) 0.567 11.495 ( 0.845 0.000 1.318) 1.566 11.921 ( -0.683 0.000 2.727) 2.811 12.406 ( 0.475 0.000 0.102) 0.486 12.427 ( 0.533 0.000 -3.167) 3.212 12.665 ( -0.475 0.000 -0.691) 0.839 12.731 ( -8.426 0.000 12.253) 14.870 13.424 ( 3.082 0.000 -0.477) 3.118 17.885 ( -3.114 0.000 -0.225) 3.122 18.121 ( 2.910 0.000 0.358) 2.932 23.116 ( 1.431 0.000 -6.762) 6.911 23.176 ( -0.808 0.000 -0.289) 0.859 23.567 ( 1.093 0.000 0.075) 1.096 24.223 ( -6.164 0.000 -0.862) 6.224 25.447 ( 1.099 0.000 -11.314) 11.367 26.508 ( 3.402 0.000 16.451) 16.799 ======================= Grid point 87 (32/185) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -18.087 0.000 4.140) 18.554 1.285 ( -22.091 0.000 -4.490) 22.542 1.865 ( -20.035 0.000 -6.337) 21.014 1.959 ( 2.398 0.000 -10.638) 10.905 2.093 ( -9.121 0.000 1.677) 9.274 2.478 ( 10.140 0.000 2.098) 10.355 2.654 ( 3.426 0.000 -6.162) 7.050 3.031 ( -8.549 0.000 2.879) 9.021 3.286 ( -2.364 0.000 0.581) 2.434 3.340 ( 8.011 0.000 -1.583) 8.166 3.491 ( -3.421 0.000 0.280) 3.433 3.698 ( 1.321 0.000 -0.915) 1.607 3.781 ( -0.223 0.000 -1.685) 1.700 3.997 ( 6.874 0.000 6.528) 9.479 4.348 ( 3.156 0.000 1.107) 3.345 4.381 ( -2.489 0.000 9.230) 9.560 4.525 ( 2.414 0.000 8.626) 8.957 4.564 ( 0.670 0.000 -15.195) 15.210 5.134 ( 3.214 0.000 -7.586) 8.238 5.504 ( 0.424 0.000 2.597) 2.631 5.585 ( 2.154 0.000 2.313) 3.161 5.630 ( 4.917 0.000 5.670) 7.505 5.794 ( 0.185 0.000 -2.982) 2.988 5.881 ( 0.542 0.000 -5.515) 5.542 6.258 ( -0.450 0.000 -2.283) 2.327 6.384 ( 2.457 0.000 3.255) 4.078 6.753 ( -0.017 0.000 -10.463) 10.463 7.178 ( 0.862 0.000 -2.323) 2.477 7.696 ( -6.771 0.000 -0.420) 6.784 7.718 ( -19.477 0.000 0.416) 19.482 8.220 ( 6.106 0.000 1.502) 6.288 8.261 ( -0.769 0.000 3.528) 3.611 8.519 ( 8.828 0.000 0.656) 8.853 9.687 ( 1.378 0.000 -0.118) 1.383 9.872 ( 3.848 0.000 1.668) 4.194 10.195 ( 3.989 0.000 8.767) 9.632 10.521 ( -2.779 0.000 -0.831) 2.900 11.217 ( 1.137 0.000 0.180) 1.151 11.222 ( 9.715 0.000 -13.317) 16.484 11.507 ( -0.503 0.000 0.716) 0.875 11.924 ( -0.658 0.000 1.061) 1.248 12.374 ( -3.665 0.000 -4.631) 5.906 12.420 ( 1.047 0.000 0.063) 1.049 12.643 ( -1.449 0.000 -0.682) 1.602 12.653 ( -10.520 0.000 12.080) 16.019 13.491 ( 4.223 0.000 0.493) 4.252 17.808 ( -4.513 0.000 -0.653) 4.560 18.200 ( 4.842 0.000 0.745) 4.899 23.073 ( -0.204 0.000 -6.828) 6.832 23.150 ( -1.740 0.000 -0.273) 1.761 23.598 ( 2.205 0.000 0.062) 2.206 24.150 ( 0.482 0.000 -7.395) 7.411 25.351 ( -2.601 0.000 -10.883) 11.189 26.698 ( 2.272 0.000 22.452) 22.567 ======================= Grid point 88 (33/185) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -19.960 0.000 8.882) 21.847 0.832 ( -23.750 0.000 -5.829) 24.455 1.384 ( -32.678 0.000 4.443) 32.979 1.853 ( -3.385 0.000 -13.677) 14.090 2.020 ( -3.333 0.000 6.784) 7.558 2.681 ( 4.636 0.000 -5.177) 6.950 2.690 ( 12.144 0.000 1.921) 12.295 2.946 ( -4.108 0.000 3.990) 5.727 3.262 ( -1.159 0.000 0.952) 1.500 3.398 ( -3.400 0.000 -2.338) 4.126 3.436 ( -0.834 0.000 -0.432) 0.939 3.636 ( -11.994 0.000 -3.600) 12.522 3.765 ( 8.009 0.000 -0.465) 8.023 4.179 ( 8.439 0.000 -3.163) 9.013 4.301 ( -2.146 0.000 1.738) 2.762 4.451 ( 0.339 0.000 -8.319) 8.326 4.514 ( 3.762 0.000 -0.110) 3.764 4.608 ( -0.257 0.000 6.271) 6.276 5.161 ( 6.485 0.000 -6.278) 9.026 5.546 ( 0.823 0.000 6.772) 6.821 5.639 ( 0.271 0.000 -4.055) 4.064 5.716 ( 0.025 0.000 0.747) 0.747 5.823 ( 5.941 0.000 -0.111) 5.942 5.841 ( 2.141 0.000 -1.402) 2.559 6.245 ( 0.411 0.000 -0.327) 0.525 6.379 ( -4.088 0.000 2.137) 4.613 6.807 ( 9.842 0.000 -0.368) 9.849 7.189 ( 2.281 0.000 -1.983) 3.022 7.291 ( -23.340 0.000 -0.532) 23.346 7.650 ( -2.885 0.000 -0.395) 2.912 8.227 ( -2.647 0.000 0.186) 2.654 8.366 ( 6.429 0.000 2.014) 6.737 8.650 ( 4.883 0.000 2.532) 5.500 9.703 ( 0.561 0.000 0.225) 0.604 9.956 ( 4.387 0.000 0.314) 4.398 10.255 ( -3.658 0.000 3.576) 5.115 10.594 ( 10.590 0.000 2.580) 10.900 11.239 ( 1.192 0.000 0.054) 1.193 11.313 ( 9.928 0.000 -8.909) 13.340 11.490 ( -1.231 0.000 0.062) 1.233 11.905 ( -0.949 0.000 -3.768) 3.886 12.225 ( -8.840 0.000 -3.967) 9.689 12.443 ( 1.575 0.000 -0.107) 1.579 12.550 ( -11.020 0.000 11.347) 15.818 12.607 ( -2.088 0.000 -0.522) 2.153 13.575 ( 4.400 0.000 2.212) 4.925 17.732 ( -3.315 0.000 -0.689) 3.386 18.286 ( 3.914 0.000 0.987) 4.036 23.018 ( -0.150 0.000 -6.404) 6.406 23.117 ( -1.667 0.000 -0.190) 1.678 23.638 ( 2.158 0.000 -0.061) 2.159 24.072 ( -2.163 0.000 -15.452) 15.602 25.209 ( -4.243 0.000 -8.489) 9.490 26.955 ( 6.757 0.000 27.954) 28.759 ======================= Grid point 89 (34/185) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -15.786 0.000 14.479) 21.420 0.547 ( -14.214 0.000 23.888) 27.798 0.854 ( -34.455 0.000 18.782) 39.242 1.683 ( -2.702 0.000 -15.911) 16.138 2.044 ( -0.702 0.000 8.507) 8.536 2.760 ( 7.096 0.000 0.751) 7.135 2.924 ( 12.481 0.000 1.904) 12.625 2.957 ( 1.759 0.000 8.717) 8.893 3.249 ( -1.569 0.000 -1.820) 2.403 3.263 ( -8.441 0.000 -2.459) 8.792 3.353 ( -11.525 0.000 -10.342) 15.484 3.412 ( -1.466 0.000 -0.054) 1.467 3.918 ( 7.797 0.000 -0.581) 7.819 4.057 ( -13.780 0.000 -24.465) 28.078 4.277 ( -2.304 0.000 -0.203) 2.313 4.497 ( 6.268 0.000 1.544) 6.456 4.526 ( -0.922 0.000 -4.211) 4.311 4.595 ( -3.006 0.000 -1.672) 3.440 5.265 ( 6.997 0.000 0.162) 6.999 5.533 ( -2.314 0.000 -3.657) 4.327 5.640 ( 2.856 0.000 9.419) 9.843 5.698 ( -0.719 0.000 -1.388) 1.563 5.937 ( 7.636 0.000 -2.909) 8.171 5.996 ( 7.025 0.000 3.901) 8.035 6.264 ( -0.516 0.000 3.313) 3.352 6.505 ( 19.799 0.000 33.455) 38.874 6.917 ( -17.158 0.000 -0.737) 17.174 6.990 ( 7.221 0.000 3.551) 8.047 7.224 ( 3.126 0.000 -1.674) 3.545 7.602 ( -1.907 0.000 -0.784) 2.062 8.178 ( -1.460 0.000 -0.940) 1.736 8.468 ( 3.546 0.000 0.934) 3.667 8.736 ( 1.911 0.000 4.870) 5.232 9.713 ( 0.215 0.000 0.676) 0.709 10.015 ( 2.525 0.000 -1.571) 2.974 10.195 ( -3.266 0.000 0.292) 3.279 10.449 ( -30.445 0.000 -54.213) 62.176 11.256 ( 0.686 0.000 -0.230) 0.723 11.434 ( 1.916 0.000 0.512) 1.983 11.576 ( 9.485 0.000 5.733) 11.083 11.846 ( 3.720 0.000 -2.598) 4.538 12.164 ( 6.155 0.000 14.490) 15.743 12.474 ( 2.026 0.000 -0.323) 2.052 12.475 ( -4.132 0.000 17.191) 17.680 12.565 ( -2.256 0.000 -0.252) 2.270 13.704 ( 8.072 0.000 6.193) 10.174 17.686 ( -1.379 0.000 -0.355) 1.424 18.345 ( 1.880 0.000 0.995) 2.127 22.989 ( 2.022 0.000 -2.788) 3.444 23.092 ( -0.935 0.000 -0.088) 0.939 23.668 ( 1.278 0.000 -0.230) 1.299 23.766 ( -18.167 0.000 -10.945) 21.209 25.123 ( -0.315 0.000 -2.107) 2.131 27.341 ( 13.311 0.000 11.077) 17.317 ======================= Grid point 90 (35/185) ======================= q-point: ( 0.00 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.124 13.790 15.830) 20.995 0.667 ( 1.774 16.683 16.016) 23.194 1.316 ( -2.331 37.294 22.095) 43.410 1.744 ( 5.085 16.263 -9.582) 19.549 2.215 ( 0.069 8.735 6.216) 10.721 2.816 ( 0.826 -3.043 0.089) 3.154 2.930 ( 0.579 -8.387 -0.751) 8.441 3.054 ( -0.136 -3.190 -7.563) 8.209 3.163 ( -5.875 5.934 -1.837) 8.550 3.229 ( 1.785 5.694 -0.521) 5.990 3.390 ( 5.018 4.168 -1.309) 6.653 3.497 ( 5.617 4.176 3.886) 8.006 3.637 ( -2.249 0.630 7.312) 7.676 4.007 ( -0.076 1.738 -0.109) 1.743 4.176 ( -2.535 -5.267 -1.570) 6.053 4.363 ( -3.526 -3.448 -6.844) 8.436 4.570 ( -1.141 2.169 -1.505) 2.876 4.667 ( 1.701 6.450 -4.260) 7.915 5.302 ( 2.507 -11.997 8.483) 14.905 5.532 ( 2.079 -2.345 2.380) 3.935 5.599 ( 0.739 -0.676 -5.567) 5.657 5.831 ( 0.095 -0.514 -1.771) 1.846 5.965 ( 4.525 -4.934 -1.599) 6.883 5.993 ( 2.274 -3.939 -0.904) 4.637 6.141 ( -3.716 -2.599 2.785) 5.321 6.544 ( 0.201 -10.492 4.821) 11.548 7.061 ( -3.934 0.941 2.868) 4.959 7.359 ( 3.732 6.884 1.309) 7.939 7.598 ( 7.732 4.317 -2.949) 9.333 7.660 ( 4.355 4.993 -2.848) 7.212 8.153 ( -0.953 -6.123 0.395) 6.209 8.471 ( 0.961 -2.379 -0.276) 2.581 8.799 ( -0.835 0.459 6.643) 6.711 8.838 ( -13.851 -4.994 1.715) 14.823 9.992 ( -0.429 -1.738 -3.778) 4.181 10.151 ( 0.400 -1.996 0.458) 2.086 10.450 ( -7.217 37.658 -32.943) 50.551 11.280 ( -0.600 2.226 -0.639) 2.393 11.434 ( 0.100 0.146 -0.613) 0.638 11.626 ( 0.114 -1.309 1.121) 1.727 11.840 ( 0.042 -5.393 -0.894) 5.467 12.275 ( -1.244 0.273 0.765) 1.486 12.437 ( 6.242 -13.596 11.321) 18.761 12.528 ( 0.673 1.343 0.850) 1.726 12.816 ( 3.695 1.033 7.927) 8.806 13.639 ( -3.101 -8.449 1.029) 9.058 17.689 ( 0.511 1.271 -0.000) 1.370 18.337 ( -0.476 -2.743 1.021) 2.965 23.026 ( -1.262 0.058 -0.597) 1.397 23.443 ( -9.203 9.639 -5.554) 14.438 23.761 ( -4.031 9.130 -1.596) 10.107 24.307 ( 61.944 24.315 -24.366) 70.866 25.137 ( -0.130 -0.107 0.319) 0.360 26.377 ( -45.944 -35.741 24.480) 63.146 ======================= Grid point 91 (36/185) ======================= q-point: ( 0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 12.279 15.773 9.684) 22.211 0.946 ( 8.082 9.871 20.512) 24.155 1.459 ( 9.911 14.693 3.171) 18.004 1.908 ( 11.767 23.262 11.866) 28.642 2.265 ( 0.608 5.870 5.816) 8.286 2.820 ( -1.625 -1.283 1.114) 2.351 2.878 ( -4.455 -5.185 -2.234) 7.192 3.003 ( 0.740 4.801 -7.997) 9.357 3.090 ( 0.685 -0.818 -0.927) 1.413 3.252 ( 1.401 0.824 0.726) 1.780 3.450 ( 0.337 2.342 -0.149) 2.371 3.524 ( 3.261 9.731 1.003) 10.311 3.832 ( 5.676 -5.293 -0.012) 7.761 3.955 ( -1.567 0.103 -1.297) 2.037 4.112 ( -2.304 -4.656 -4.855) 7.110 4.232 ( -5.271 -3.944 -6.537) 9.277 4.469 ( -3.079 6.593 -7.726) 10.613 4.722 ( 3.355 0.991 2.076) 4.067 5.360 ( -1.429 -7.357 5.768) 9.458 5.567 ( 1.417 -2.032 -5.911) 6.409 5.586 ( -0.276 -3.250 2.885) 4.355 5.770 ( -4.161 -1.337 -0.849) 4.453 5.949 ( -7.909 -5.570 2.075) 9.893 6.038 ( 4.265 -0.850 -1.949) 4.766 6.127 ( 3.000 -4.096 3.831) 6.360 6.724 ( 10.421 -9.300 4.883) 14.796 6.928 ( -9.974 2.920 -0.661) 10.414 7.395 ( -0.079 9.857 0.616) 9.876 7.481 ( -14.619 3.031 7.660) 16.780 7.651 ( 0.082 5.515 -0.800) 5.574 8.091 ( -0.003 -0.744 -2.261) 2.380 8.427 ( -4.807 -2.719 0.869) 5.591 8.823 ( -2.813 0.027 7.943) 8.427 9.074 ( 25.688 -10.813 -8.755) 29.214 9.928 ( -2.850 -1.316 -5.161) 6.041 10.162 ( -2.153 19.026 -8.992) 21.154 10.222 ( 3.560 9.007 -7.399) 12.188 11.252 ( -1.599 0.552 -0.701) 1.831 11.440 ( 0.494 1.123 -0.298) 1.263 11.632 ( -0.859 -3.656 1.520) 4.051 11.835 ( 0.323 -4.491 -0.620) 4.545 12.285 ( 1.708 0.223 1.301) 2.159 12.503 ( -0.118 -0.731 1.455) 1.633 12.551 ( -0.892 -3.345 3.099) 4.646 12.836 ( -7.811 -2.269 9.543) 12.539 13.559 ( -3.928 -3.459 -2.064) 5.627 17.713 ( 2.050 1.056 0.207) 2.316 18.317 ( -2.710 -2.517 1.012) 3.834 22.958 ( -4.075 -1.503 0.202) 4.348 23.327 ( -0.781 12.506 -3.087) 12.905 23.700 ( -2.980 4.604 -0.262) 5.491 25.078 ( -0.821 2.165 -1.158) 2.589 25.101 ( 38.889 1.940 -25.769) 46.692 25.875 ( -28.244 -14.964 26.336) 41.415 ======================= Grid point 92 (37/185) ======================= q-point: ( 0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 5.868 18.588 3.967) 19.892 1.255 ( 14.189 10.320 12.437) 21.506 1.754 ( 17.831 0.315 3.828) 18.240 2.224 ( 8.672 10.721 12.675) 18.730 2.328 ( 4.124 8.005 5.602) 10.606 2.742 ( -7.811 4.551 1.611) 9.183 2.767 ( -5.782 0.635 -1.372) 5.976 2.998 ( 1.216 1.807 0.186) 2.186 3.173 ( 11.705 -2.055 -8.725) 14.743 3.293 ( 2.404 -1.759 2.171) 3.686 3.444 ( -0.065 1.045 -2.371) 2.592 3.562 ( -1.792 6.105 1.029) 6.445 3.735 ( -5.612 1.615 -3.720) 6.924 3.983 ( -6.122 -2.364 -2.348) 6.969 4.003 ( 2.215 -6.157 -10.101) 12.035 4.132 ( -0.739 -3.890 -2.228) 4.544 4.384 ( -0.037 6.265 -7.807) 10.010 4.803 ( 3.014 -0.952 4.077) 5.159 5.354 ( -2.783 1.422 3.047) 4.364 5.493 ( -5.479 -7.112 -2.790) 9.401 5.603 ( 0.675 -1.267 0.320) 1.470 5.717 ( -2.926 -2.686 3.242) 5.127 5.858 ( -2.789 -1.759 0.783) 3.389 6.084 ( 1.354 -1.316 0.745) 2.030 6.214 ( 1.445 -5.825 5.529) 8.160 6.618 ( -15.736 4.361 -0.569) 16.339 6.997 ( 8.170 -3.502 -0.826) 8.927 7.360 ( -2.379 3.590 6.091) 7.460 7.435 ( 2.768 5.831 2.230) 6.829 7.669 ( 2.500 3.559 -0.963) 4.455 8.101 ( 3.077 2.787 -4.416) 6.061 8.334 ( -6.865 -2.971 2.709) 7.956 8.808 ( -6.112 0.379 8.095) 10.150 9.392 ( 17.687 -11.150 -7.725) 22.290 9.826 ( -3.769 -0.407 -5.489) 6.671 10.042 ( -1.900 20.666 -8.261) 22.337 10.313 ( 7.424 -3.609 -1.503) 8.390 11.220 ( -1.466 -0.682 -0.392) 1.664 11.431 ( -1.381 -0.016 -0.303) 1.414 11.605 ( -3.399 -4.720 -0.466) 5.835 11.844 ( 0.927 -2.522 0.073) 2.688 12.332 ( 1.375 0.197 2.075) 2.497 12.499 ( -1.233 -1.818 1.578) 2.705 12.542 ( -1.619 -1.414 2.901) 3.611 12.783 ( -3.716 3.288 6.628) 8.279 13.487 ( -2.177 -1.071 -2.986) 3.847 17.761 ( 3.253 0.628 0.113) 3.315 18.261 ( -4.400 -2.192 0.985) 5.013 22.919 ( -0.420 -5.296 -0.069) 5.313 23.324 ( 2.162 10.554 -2.756) 11.121 23.640 ( -3.738 1.730 -0.105) 4.120 24.863 ( -20.823 -5.806 12.799) 25.122 25.491 ( 20.455 3.340 -25.996) 33.247 25.815 ( 3.980 -2.958 14.327) 15.161 ======================= Grid point 93 (38/185) ======================= q-point: ( 0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 8.853 17.123 1.134) 19.309 1.572 ( 10.882 7.358 10.339) 16.717 2.050 ( 12.470 3.268 1.450) 12.973 2.285 ( -2.424 2.834 1.588) 4.053 2.531 ( 5.939 2.845 6.475) 9.235 2.588 ( -8.336 2.024 -4.039) 9.481 2.666 ( -4.868 4.523 -0.009) 6.645 3.049 ( 4.754 1.417 1.100) 5.081 3.303 ( 5.215 -3.713 -1.403) 6.554 3.356 ( -5.306 0.767 -1.496) 5.566 3.386 ( 4.075 -5.846 1.994) 7.400 3.546 ( 2.241 1.479 -0.656) 2.763 3.670 ( 0.742 5.376 -5.043) 7.408 3.827 ( -6.268 2.722 -2.636) 7.324 3.961 ( -0.748 -1.241 -4.079) 4.329 4.171 ( 7.193 -3.644 -3.836) 8.929 4.349 ( 1.752 3.336 -5.319) 6.518 4.869 ( 0.652 -1.599 3.581) 3.976 5.295 ( -5.183 7.971 -1.973) 9.710 5.377 ( -5.824 -11.032 0.727) 12.496 5.623 ( 1.211 1.360 1.141) 2.149 5.693 ( -4.725 -5.244 7.256) 10.123 5.844 ( -0.029 0.139 -0.087) 0.167 6.077 ( -3.789 0.019 0.919) 3.899 6.248 ( -2.109 -2.435 4.516) 5.547 6.373 ( -7.373 2.686 -3.634) 8.648 7.053 ( 2.819 3.812 -5.112) 6.972 7.325 ( -7.716 -2.276 7.552) 11.034 7.625 ( 15.564 -3.180 -4.617) 16.543 7.718 ( 4.086 4.616 -0.863) 6.225 8.134 ( 4.318 7.015 -2.622) 8.644 8.247 ( -5.902 -2.627 5.301) 8.356 8.713 ( -11.276 1.338 6.578) 13.123 9.588 ( 8.145 -7.658 -2.945) 11.561 9.752 ( 1.476 0.923 -3.831) 4.208 9.969 ( -0.747 12.068 -5.278) 13.193 10.436 ( 7.554 -3.427 -1.615) 8.451 11.194 ( -1.552 -1.723 -0.189) 2.326 11.392 ( -2.420 -2.913 -1.435) 4.050 11.500 ( -6.242 -2.991 -2.372) 7.317 11.867 ( 0.729 -1.513 1.684) 2.378 12.350 ( 0.220 -2.944 -0.022) 2.952 12.500 ( -0.127 2.618 1.206) 2.886 12.567 ( 2.041 -0.647 2.973) 3.664 12.790 ( -1.790 3.718 6.032) 7.308 13.436 ( -1.198 0.347 -2.463) 2.761 17.825 ( 3.906 0.134 -0.089) 3.909 18.182 ( -5.105 -1.862 0.829) 5.497 22.930 ( 1.770 -7.490 -1.106) 7.775 23.348 ( 2.911 9.717 -3.064) 10.596 23.572 ( -3.683 -1.000 -0.163) 3.820 24.585 ( -20.108 -6.033 10.881) 23.646 25.553 ( 7.383 5.192 -14.625) 17.186 26.072 ( 12.354 -0.285 6.561) 13.991 ======================= Grid point 94 (39/185) ======================= q-point: ( 0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 5.779 13.464 1.947) 14.781 1.756 ( 0.803 6.520 9.243) 11.339 2.201 ( -4.936 7.576 -4.313) 10.018 2.219 ( 6.573 5.479 -1.762) 8.737 2.380 ( -6.953 -1.019 -8.245) 10.833 2.551 ( -5.566 7.246 -1.229) 9.219 2.635 ( 1.720 -1.600 -3.351) 4.092 3.175 ( 5.710 -1.777 2.646) 6.539 3.236 ( -3.552 -1.594 -0.276) 3.903 3.363 ( 0.107 -5.352 1.239) 5.495 3.430 ( -2.208 -7.321 1.633) 7.819 3.608 ( 4.797 -0.223 -0.705) 4.854 3.702 ( -4.992 7.603 -1.314) 9.190 3.729 ( 6.535 3.467 4.379) 8.596 3.984 ( 4.760 3.457 -0.103) 5.884 4.315 ( 11.889 -3.854 -6.389) 14.036 4.366 ( 3.302 0.752 -0.796) 3.479 4.854 ( -6.066 2.289 2.203) 6.847 5.174 ( -4.958 1.092 -1.259) 5.230 5.292 ( -3.722 -9.184 -1.361) 10.003 5.631 ( -4.951 -2.319 6.805) 8.730 5.679 ( -0.173 3.588 2.711) 4.501 5.846 ( 1.565 1.800 -1.986) 3.104 5.975 ( -6.098 2.379 -0.551) 6.569 6.199 ( -2.503 -3.657 -3.111) 5.414 6.351 ( 1.814 1.990 3.937) 4.770 7.041 ( 1.488 4.618 -9.879) 11.006 7.233 ( -5.809 -1.762 2.331) 6.502 7.745 ( 2.006 -0.183 0.398) 2.053 7.852 ( 10.619 -5.404 -5.431) 13.095 8.209 ( -4.082 -1.908 6.566) 7.963 8.238 ( 8.605 10.101 0.175) 13.270 8.512 ( -15.322 3.135 4.067) 16.159 9.623 ( 0.647 -2.693 -1.300) 3.060 9.828 ( 3.364 4.378 1.414) 5.699 9.957 ( 4.966 1.924 -3.198) 6.212 10.539 ( 4.556 -2.315 -0.858) 5.182 11.149 ( -2.510 -5.354 -2.660) 6.484 11.311 ( -2.547 0.254 -5.201) 5.797 11.425 ( -1.080 -3.482 0.365) 3.664 11.888 ( -0.370 -1.797 2.691) 3.257 12.347 ( 0.675 -6.047 -3.141) 6.847 12.509 ( -0.174 6.291 2.170) 6.657 12.637 ( 2.928 0.472 2.462) 3.855 12.785 ( -4.654 2.125 6.842) 8.543 13.415 ( 0.664 1.511 -1.449) 2.196 17.887 ( 2.568 -0.228 -0.136) 2.581 18.106 ( -3.367 -1.637 0.465) 3.773 22.951 ( 1.478 -8.231 -2.042) 8.609 23.374 ( 2.639 10.317 -3.612) 11.245 23.519 ( -1.826 -3.794 -0.083) 4.211 24.340 ( -14.075 -5.185 5.065) 15.832 25.560 ( 4.367 7.123 -11.337) 14.083 26.308 ( 7.527 -0.537 9.924) 12.467 ======================= Grid point 95 (40/185) ======================= q-point: (-0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -7.709 10.153 3.121) 13.125 1.699 ( -13.426 7.656 3.568) 15.862 2.073 ( -0.624 6.631 -8.186) 10.553 2.196 ( -4.495 3.876 -7.904) 9.884 2.368 ( 6.049 7.648 -2.840) 10.156 2.410 ( -7.000 10.020 -1.393) 12.302 2.630 ( 2.083 -1.863 -5.171) 5.878 3.181 ( -4.619 0.442 0.357) 4.653 3.236 ( 0.654 -0.686 0.897) 1.305 3.313 ( -4.229 -2.297 1.296) 4.984 3.438 ( 1.269 -9.213 0.299) 9.305 3.661 ( 4.728 2.574 0.216) 5.388 3.721 ( 4.594 1.950 0.183) 4.994 3.887 ( 3.623 0.156 6.940) 7.830 4.107 ( 6.909 -0.599 6.311) 9.377 4.373 ( 0.631 -4.516 -2.995) 5.456 4.495 ( 7.073 0.723 1.519) 7.270 4.690 ( -10.314 3.801 -1.864) 11.149 5.117 ( -1.078 -0.438 -5.053) 5.185 5.270 ( 3.585 -10.717 -0.111) 11.301 5.597 ( -2.748 0.645 4.142) 5.012 5.695 ( -0.102 4.092 2.744) 4.927 5.862 ( -0.680 4.729 -0.784) 4.841 5.899 ( 0.255 1.030 -2.706) 2.906 6.131 ( -2.027 -8.534 -4.018) 9.648 6.439 ( 3.882 5.911 5.542) 8.984 6.953 ( -1.318 6.451 -11.611) 13.348 7.178 ( -1.182 -1.297 -1.665) 2.419 7.756 ( -1.118 1.643 0.292) 2.009 7.976 ( 7.909 -8.232 -2.786) 11.751 8.106 ( -16.125 0.140 4.204) 16.665 8.295 ( -3.898 4.233 2.736) 6.371 8.443 ( 8.487 7.974 1.453) 11.736 9.634 ( 1.033 -2.538 -0.290) 2.756 9.846 ( -0.253 3.443 1.488) 3.759 10.101 ( 9.454 3.602 3.254) 10.628 10.556 ( -2.650 -2.702 -0.041) 3.785 11.104 ( 3.273 -6.322 -7.610) 10.421 11.266 ( 1.195 3.123 -4.628) 5.710 11.433 ( 0.419 -5.041 1.728) 5.345 11.891 ( -1.530 -2.854 2.367) 4.011 12.322 ( -0.222 -7.195 -4.670) 8.580 12.525 ( -0.378 6.106 3.085) 6.852 12.690 ( 1.551 3.049 0.682) 3.488 12.725 ( -8.337 0.698 8.096) 11.643 13.439 ( 2.616 1.508 -0.330) 3.037 17.883 ( -2.899 -0.138 -0.307) 2.918 18.103 ( 2.744 -1.770 0.347) 3.284 22.942 ( -0.530 -8.366 -2.497) 8.747 23.381 ( 1.377 11.514 -3.905) 12.236 23.516 ( 1.469 -4.936 -0.029) 5.150 24.180 ( -5.641 -4.317 -1.110) 7.189 25.528 ( 0.678 7.779 -9.937) 12.638 26.490 ( 2.925 -1.834 14.728) 15.127 ======================= Grid point 96 (41/185) ======================= q-point: (-0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -15.623 10.655 3.325) 19.201 1.396 ( -19.135 11.141 -3.040) 22.350 1.972 ( -12.319 10.687 -7.385) 17.902 2.069 ( -1.389 8.490 -0.736) 8.634 2.204 ( -9.148 12.424 -5.128) 16.258 2.522 ( 8.211 3.139 0.794) 8.826 2.649 ( 4.532 0.334 -4.308) 6.261 3.057 ( -7.238 3.546 1.847) 8.269 3.257 ( -0.944 -2.960 0.456) 3.140 3.349 ( 8.502 0.496 -1.463) 8.641 3.428 ( -2.366 -6.541 1.240) 7.065 3.714 ( -1.485 4.209 0.628) 4.507 3.802 ( 3.123 -0.629 -5.125) 6.034 3.964 ( 2.727 -2.575 7.448) 8.339 4.283 ( 3.510 -7.777 4.282) 9.546 4.317 ( -3.600 -3.956 6.276) 8.246 4.522 ( -3.847 0.646 -8.071) 8.964 4.629 ( 5.139 5.262 5.428) 9.141 5.051 ( 0.089 -5.007 -8.178) 9.589 5.381 ( 7.301 -6.815 -0.719) 10.014 5.607 ( 1.131 1.071 2.149) 2.654 5.727 ( 0.758 0.691 3.089) 3.255 5.825 ( -2.218 4.728 1.553) 5.448 5.889 ( 0.675 -0.545 -6.033) 6.095 6.091 ( 1.134 -8.758 -3.346) 9.444 6.568 ( 5.428 9.815 6.127) 12.780 6.862 ( 1.295 10.730 -10.211) 14.869 7.145 ( -1.019 -3.236 -2.970) 4.509 7.699 ( -8.458 0.073 -0.533) 8.475 7.790 ( -14.501 7.511 0.749) 16.348 8.123 ( 8.255 -8.213 0.343) 11.649 8.280 ( -1.548 2.180 2.820) 3.886 8.593 ( 6.613 5.715 1.225) 8.825 9.633 ( -1.689 -4.914 0.391) 5.211 9.879 ( 2.690 0.778 1.694) 3.273 10.300 ( 5.704 8.970 6.737) 12.585 10.493 ( 0.188 -2.637 0.494) 2.690 11.155 ( 7.755 -4.075 -6.867) 11.131 11.269 ( 3.293 2.171 -5.700) 6.932 11.451 ( 0.066 -4.568 1.630) 4.851 11.869 ( -2.263 -4.760 0.748) 5.323 12.266 ( -2.186 -7.284 -5.559) 9.420 12.534 ( -1.742 4.233 3.880) 6.001 12.618 ( -9.137 0.280 5.719) 10.783 12.708 ( -0.709 5.928 1.894) 6.263 13.494 ( 3.428 0.398 0.325) 3.466 17.810 ( -4.205 0.321 -0.683) 4.272 18.178 ( 4.633 -2.171 0.672) 5.160 22.904 ( -1.236 -7.537 -2.339) 7.988 23.372 ( 1.053 12.485 -3.449) 12.995 23.557 ( 2.935 -3.856 -0.406) 4.863 24.121 ( 1.781 -2.824 -6.767) 7.545 25.431 ( -3.393 7.624 -9.501) 12.645 26.640 ( -0.167 -5.513 19.551) 20.314 ======================= Grid point 97 (42/185) ======================= q-point: (-0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -16.427 13.498 7.406) 22.514 1.028 ( -18.610 18.386 -4.610) 26.564 1.606 ( -24.289 21.940 2.651) 32.838 1.984 ( -4.652 12.477 -11.756) 17.763 2.097 ( -2.170 7.406 6.532) 10.111 2.643 ( 5.949 -1.558 -1.929) 6.445 2.747 ( 7.971 2.224 0.092) 8.276 2.995 ( -1.103 6.151 2.276) 6.650 3.249 ( -0.028 -0.307 0.099) 0.323 3.383 ( -3.655 -5.280 0.373) 6.433 3.464 ( 2.951 3.601 -2.488) 5.279 3.619 ( -10.575 1.030 -1.350) 10.710 3.759 ( 2.884 -1.989 -4.562) 5.752 4.061 ( 0.230 -8.549 -1.084) 8.620 4.254 ( -2.744 -4.824 2.995) 6.306 4.367 ( 1.725 -4.070 2.024) 4.862 4.481 ( 2.596 0.404 -2.804) 3.842 4.741 ( 1.497 9.717 5.541) 11.286 5.029 ( 4.127 -10.712 -4.485) 12.324 5.477 ( 3.772 -4.920 -0.716) 6.241 5.640 ( 1.170 0.747 -1.854) 2.316 5.744 ( 2.193 -6.645 -2.031) 7.287 5.828 ( 0.553 2.949 1.609) 3.405 5.883 ( 3.097 2.657 -0.820) 4.162 6.100 ( 1.045 -7.379 -0.904) 7.507 6.684 ( 2.667 16.234 4.313) 17.008 6.891 ( 7.549 8.110 -2.472) 11.352 7.079 ( -4.324 -5.048 -2.945) 7.270 7.448 ( -10.647 11.112 -1.098) 15.428 7.690 ( -2.852 4.036 -0.260) 4.949 8.209 ( -0.857 -2.628 -0.440) 2.799 8.315 ( 5.392 -3.120 1.826) 6.492 8.692 ( 3.320 3.439 2.614) 5.448 9.564 ( -7.690 -10.886 1.294) 13.391 9.949 ( 3.716 -0.668 0.279) 3.786 10.271 ( -6.119 -0.601 0.098) 6.149 10.735 ( 18.764 11.212 3.194) 22.090 11.237 ( 3.872 -0.540 -0.891) 4.010 11.302 ( 7.282 -0.922 -7.322) 10.368 11.464 ( 0.511 -1.823 1.951) 2.719 11.826 ( -1.906 -6.216 -2.012) 6.806 12.150 ( -6.485 -5.702 -4.912) 9.935 12.482 ( -10.202 -4.229 8.414) 13.883 12.538 ( -1.387 5.941 0.426) 6.116 12.705 ( -0.863 8.727 1.600) 8.914 13.558 ( 3.276 -1.341 0.924) 3.659 17.740 ( -3.052 0.840 -0.726) 3.247 18.260 ( 3.755 -2.575 0.927) 4.646 22.888 ( 1.637 -4.093 -1.008) 4.522 23.383 ( 3.597 14.968 -2.250) 15.558 23.599 ( 2.266 -3.065 -1.375) 4.052 24.106 ( 3.462 2.612 -13.242) 13.934 25.279 ( -5.544 6.690 -8.203) 11.949 26.776 ( -3.138 -15.615 23.371) 28.282 ======================= Grid point 98 (43/185) ======================= q-point: (-0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -16.346 15.595 7.787) 23.896 0.726 ( -13.885 21.338 4.886) 25.922 1.295 ( -16.193 36.789 18.541) 44.265 1.818 ( -2.256 12.508 -13.615) 18.625 2.150 ( 1.577 8.979 6.736) 11.335 2.744 ( 6.455 -1.500 0.785) 6.673 2.862 ( 3.163 -3.399 3.488) 5.807 3.073 ( 7.702 6.934 1.381) 10.455 3.241 ( -4.441 1.321 -1.900) 5.007 3.273 ( -3.933 -0.555 -8.260) 9.166 3.399 ( -6.698 3.228 -4.321) 8.599 3.429 ( -3.367 4.240 2.334) 5.896 3.780 ( -5.308 -10.334 -1.677) 11.738 3.985 ( -1.171 0.620 -0.526) 1.426 4.223 ( -2.634 -4.781 1.026) 5.555 4.439 ( 0.659 -3.483 -2.280) 4.215 4.504 ( 4.517 0.205 -0.108) 4.522 4.733 ( -2.248 10.549 -3.807) 11.438 5.149 ( 6.459 -12.159 8.096) 15.972 5.500 ( 0.067 -4.979 0.750) 5.036 5.628 ( 1.220 2.335 -5.791) 6.362 5.797 ( 3.857 -2.625 -1.452) 4.886 5.883 ( 6.986 -2.474 -3.817) 8.336 5.952 ( 2.622 -0.985 2.440) 3.714 6.115 ( 0.382 -5.995 3.311) 6.859 6.667 ( -11.462 -2.936 4.370) 12.613 7.015 ( 5.873 3.192 4.426) 8.017 7.123 ( 16.495 14.736 -0.531) 22.125 7.386 ( 3.852 14.966 -1.329) 15.511 7.653 ( -0.655 4.906 -1.056) 5.061 8.159 ( -2.361 -1.600 -1.004) 3.024 8.421 ( 4.364 -4.112 0.649) 6.031 8.756 ( 0.936 1.645 4.679) 5.047 9.319 ( -23.877 -20.205 0.822) 31.290 9.997 ( 2.158 -1.593 -1.756) 3.206 10.179 ( -3.713 -1.828 -0.117) 4.140 10.844 ( 1.352 17.554 -37.311) 41.256 11.275 ( 1.426 1.845 -0.190) 2.340 11.423 ( 3.267 -1.192 0.229) 3.485 11.587 ( 7.816 0.635 4.606) 9.095 11.812 ( 4.492 -2.638 -0.597) 5.243 12.068 ( 2.909 -7.081 13.856) 15.830 12.368 ( -8.736 -4.825 7.406) 12.428 12.525 ( -0.480 3.334 0.151) 3.372 12.717 ( 1.200 10.809 2.661) 11.196 13.622 ( 2.390 -5.008 2.251) 5.988 17.697 ( -1.274 1.189 -0.413) 1.791 18.318 ( 1.836 -2.784 1.016) 3.486 22.967 ( 6.430 0.257 0.935) 6.503 23.541 ( 14.994 12.423 5.797) 20.317 23.604 ( 3.932 4.951 -8.366) 10.487 23.986 ( -2.236 19.567 -21.491) 29.150 25.156 ( -2.375 3.526 -3.436) 5.466 26.806 ( -17.324 -36.865 21.623) 46.116 ======================= Grid point 99 (44/185) ======================= q-point: ( 0.00 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.661 19.783 8.202) 21.426 1.158 ( -0.209 28.623 -2.217) 28.709 1.972 ( -4.832 23.703 -6.892) 25.153 2.147 ( 5.952 28.185 14.469) 32.236 2.402 ( -0.836 9.817 5.652) 11.359 2.719 ( 0.008 -6.790 -1.462) 6.946 2.847 ( 1.279 0.273 -0.442) 1.381 2.999 ( -0.919 -2.695 -5.724) 6.393 3.203 ( -1.263 1.833 0.490) 2.279 3.398 ( 1.831 1.147 -2.069) 2.991 3.490 ( -2.788 8.890 1.825) 9.494 3.630 ( 5.041 10.578 3.092) 12.118 3.680 ( 2.711 5.528 1.265) 6.286 4.017 ( -0.159 -5.824 -1.141) 5.937 4.070 ( -3.812 -0.073 0.989) 3.939 4.312 ( -5.608 -2.043 -6.286) 8.668 4.598 ( 2.594 2.020 0.642) 3.350 4.768 ( -1.235 -1.510 -6.591) 6.874 5.113 ( 0.847 -1.827 9.593) 9.802 5.421 ( 2.838 -7.447 4.005) 8.919 5.509 ( 0.237 -8.953 -6.949) 11.336 5.750 ( 4.397 -9.616 0.669) 10.595 5.802 ( -3.406 -7.118 1.739) 8.080 6.008 ( 1.768 0.309 -0.772) 1.954 6.125 ( 0.276 1.397 2.370) 2.765 6.397 ( 0.795 -6.045 0.884) 6.161 7.073 ( -2.897 0.567 0.450) 2.986 7.479 ( 3.904 3.640 -0.069) 5.338 7.674 ( 0.858 5.386 -3.656) 6.566 7.820 ( 2.081 10.544 -2.104) 10.951 8.063 ( -2.100 -3.470 -1.367) 4.280 8.423 ( 2.534 -2.083 -1.251) 3.511 8.728 ( -5.583 -6.780 0.857) 8.824 8.801 ( -1.339 -0.471 5.383) 5.568 9.949 ( -0.374 -2.443 -3.563) 4.337 10.098 ( -0.097 -3.302 0.054) 3.304 10.919 ( -0.736 14.374 -21.752) 26.083 11.340 ( -1.494 3.716 -0.646) 4.057 11.437 ( 1.421 0.072 0.117) 1.428 11.595 ( -1.831 -2.160 1.427) 3.171 11.729 ( -1.589 -5.106 -0.328) 5.358 12.127 ( 2.514 -13.559 13.707) 19.443 12.310 ( 2.130 1.955 1.176) 3.121 12.556 ( -0.583 0.923 1.151) 1.586 12.959 ( -0.216 10.212 0.960) 10.259 13.539 ( -0.546 -3.352 -2.339) 4.124 17.728 ( 0.442 2.842 -0.054) 2.877 18.262 ( -0.348 -4.998 1.190) 5.149 23.033 ( -1.309 0.806 -0.481) 1.611 23.459 ( -2.815 -3.548 3.889) 5.970 23.950 ( -1.495 10.132 -0.714) 10.267 24.666 ( 37.953 9.636 -22.059) 44.943 25.158 ( -1.856 2.893 -2.505) 4.254 25.836 ( -29.058 -20.482 17.904) 39.806 ======================= Grid point 100 (45/185) ======================= q-point: ( 0.11 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 10.923 12.845 13.350) 21.506 1.236 ( 9.638 23.072 1.497) 25.049 1.867 ( 0.498 22.188 -8.389) 23.726 2.341 ( -0.358 14.554 8.038) 16.630 2.412 ( 3.369 12.184 6.384) 14.162 2.747 ( 2.040 -4.118 2.488) 5.225 2.852 ( -0.531 3.651 -0.071) 3.690 2.990 ( 3.910 -4.180 -4.187) 7.092 3.163 ( -3.185 4.830 0.153) 5.787 3.368 ( 0.098 8.015 -3.596) 8.785 3.467 ( -2.589 -0.066 -0.387) 2.619 3.732 ( 3.995 12.383 1.819) 13.138 3.773 ( 3.364 0.163 2.507) 4.199 3.964 ( -7.330 0.652 -1.045) 7.433 3.997 ( -0.654 -5.904 -2.435) 6.420 4.155 ( -5.918 -4.157 -6.297) 9.589 4.566 ( -3.056 2.488 -5.084) 6.432 4.766 ( 3.334 2.740 -0.142) 4.318 5.183 ( -0.374 -6.078 8.569) 10.513 5.465 ( -0.553 -6.827 -2.615) 7.332 5.509 ( 3.235 -6.920 1.426) 7.771 5.746 ( -3.846 -4.609 2.159) 6.379 5.787 ( -0.562 -7.869 0.435) 7.901 6.030 ( 1.721 -0.119 -0.497) 1.795 6.107 ( -2.152 1.009 4.816) 5.370 6.574 ( 13.278 -7.194 0.796) 15.122 6.970 ( -7.128 1.321 -2.838) 7.785 7.465 ( -6.677 -1.167 3.698) 7.722 7.632 ( -0.559 11.121 -3.425) 11.650 7.769 ( -3.664 6.022 -1.168) 7.145 8.086 ( 5.588 0.950 -2.886) 6.360 8.379 ( -5.051 -1.557 0.846) 5.353 8.816 ( -2.004 -0.911 6.006) 6.397 8.888 ( 18.746 -9.258 -4.357) 21.357 9.895 ( -1.975 -1.863 -4.881) 5.585 10.128 ( 3.530 -4.417 -0.155) 5.656 10.695 ( -7.245 21.273 -17.220) 28.311 11.265 ( -4.216 0.795 -0.724) 4.351 11.469 ( -0.182 1.551 1.099) 1.909 11.554 ( -3.571 -3.903 2.920) 6.042 11.747 ( 2.218 -4.165 0.847) 4.794 12.227 ( 1.808 -11.306 6.686) 13.258 12.346 ( -1.576 -2.236 3.514) 4.453 12.569 ( 1.293 1.019 1.099) 1.980 12.943 ( -2.008 9.793 0.771) 10.026 13.503 ( -0.852 -2.336 -3.174) 4.032 17.746 ( 1.556 2.489 0.095) 2.937 18.247 ( -2.352 -4.628 1.240) 5.338 22.956 ( -5.844 1.102 0.122) 5.949 23.435 ( -1.833 -0.564 1.318) 2.327 23.857 ( -6.222 10.618 -1.324) 12.378 24.937 ( -10.805 -10.654 4.755) 15.901 25.275 ( 31.692 8.917 -21.446) 39.291 25.624 ( -6.941 -9.370 13.454) 17.804 ======================= Grid point 101 (46/185) ======================= q-point: ( 0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.913 14.131 9.754) 18.509 1.504 ( 13.759 15.118 6.857) 21.561 1.915 ( 11.390 15.269 -4.570) 19.590 2.326 ( -0.711 2.261 0.477) 2.418 2.540 ( 3.545 8.605 1.891) 9.497 2.761 ( -3.745 -0.105 1.927) 4.213 2.818 ( -4.312 2.559 1.978) 5.390 3.077 ( 7.597 -0.847 -4.363) 8.802 3.113 ( -1.002 1.880 0.584) 2.209 3.352 ( -3.235 5.282 1.551) 6.385 3.428 ( 1.734 -0.473 -5.040) 5.351 3.666 ( -10.382 4.296 3.893) 11.891 3.841 ( 2.609 9.494 -5.752) 11.403 3.894 ( 0.968 -3.077 0.140) 3.229 3.947 ( -2.582 -0.848 -1.038) 2.909 4.059 ( 0.071 -3.431 -2.828) 4.447 4.478 ( -1.309 2.305 -7.284) 7.751 4.831 ( 1.975 4.031 3.396) 5.629 5.218 ( -1.795 -9.299 4.339) 10.417 5.432 ( -2.492 -3.033 1.752) 4.299 5.565 ( 2.484 -3.460 1.068) 4.391 5.698 ( -3.417 -0.152 -0.284) 3.432 5.779 ( 0.733 -5.854 0.594) 5.930 6.061 ( 1.167 -1.870 0.655) 2.300 6.139 ( -0.081 -0.865 8.255) 8.301 6.636 ( -9.142 -2.799 -4.211) 10.447 6.946 ( 10.468 -1.761 -2.361) 10.875 7.362 ( -8.204 -2.277 6.087) 10.466 7.586 ( -0.315 7.528 -6.107) 9.698 7.765 ( 3.637 6.642 -0.743) 7.609 8.164 ( 4.340 2.589 -1.481) 5.266 8.299 ( -4.218 1.423 1.959) 4.863 8.810 ( -4.121 -0.401 5.623) 6.983 9.186 ( 18.258 -10.647 -5.573) 21.858 9.818 ( -2.041 -0.286 -5.141) 5.539 10.215 ( 6.420 -6.156 -1.008) 8.952 10.443 ( -8.929 19.687 -10.170) 23.890 11.201 ( -3.130 -1.241 -0.021) 3.368 11.410 ( -6.001 -2.861 1.245) 6.763 11.532 ( -2.288 -1.324 1.535) 3.057 11.796 ( 2.280 -2.272 0.897) 3.342 12.273 ( -3.758 -13.209 5.114) 14.655 12.347 ( 2.614 0.815 1.849) 3.304 12.617 ( 2.878 1.900 1.265) 3.673 12.919 ( -1.231 10.258 0.959) 10.376 13.468 ( -0.374 -0.809 -2.944) 3.076 17.783 ( 2.522 1.700 -0.019) 3.042 18.200 ( -3.907 -4.014 1.158) 5.720 22.870 ( -3.698 -0.103 0.612) 3.750 23.417 ( -0.698 -1.127 -0.406) 1.387 23.739 ( -6.000 8.271 -1.154) 10.283 24.686 ( -20.717 -11.876 11.204) 26.378 25.578 ( 16.035 5.091 -16.501) 23.565 25.776 ( 15.118 -0.724 4.093) 15.679 ======================= Grid point 102 (47/185) ======================= q-point: ( 0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 5.787 16.849 4.846) 18.463 1.767 ( 9.874 12.322 7.117) 17.320 2.148 ( 13.378 7.101 1.860) 15.259 2.340 ( 2.801 2.379 -2.227) 4.297 2.556 ( -0.521 -0.919 -8.763) 8.827 2.624 ( -7.904 2.518 -3.362) 8.951 2.766 ( -5.098 2.904 6.510) 8.763 3.079 ( 0.664 1.407 -0.948) 1.822 3.191 ( 3.169 -8.009 -1.396) 8.725 3.281 ( -5.135 -5.102 0.920) 7.297 3.369 ( -5.295 1.190 -0.112) 5.428 3.598 ( -0.731 4.880 2.037) 5.339 3.809 ( -0.305 8.389 -1.377) 8.507 3.938 ( -0.050 3.678 -0.035) 3.678 3.943 ( 4.889 5.635 -0.078) 7.461 4.106 ( 7.610 -2.546 -3.437) 8.730 4.413 ( 0.074 2.532 -6.732) 7.193 4.875 ( 0.017 2.061 4.202) 4.680 5.167 ( -5.133 -8.998 -1.757) 10.507 5.408 ( -3.815 2.199 4.748) 6.475 5.600 ( -2.633 -1.841 2.660) 4.172 5.646 ( 1.480 -0.765 -1.116) 2.005 5.826 ( 3.181 -2.239 1.202) 4.071 6.059 ( -2.137 -2.806 0.733) 3.602 6.214 ( -0.200 -0.101 8.939) 8.942 6.391 ( -9.669 -0.523 -7.382) 12.176 7.101 ( 7.021 -0.312 -3.295) 7.762 7.267 ( -7.481 -3.722 4.993) 9.734 7.572 ( 4.976 -0.839 -7.500) 9.039 7.834 ( 3.830 5.355 -1.541) 6.762 8.199 ( -0.726 1.295 4.154) 4.411 8.307 ( 4.326 8.384 0.073) 9.434 8.740 ( -8.272 1.225 3.998) 9.269 9.427 ( 12.193 -9.263 -3.206) 15.645 9.779 ( 2.842 1.809 -3.550) 4.894 10.200 ( -7.690 8.302 -5.806) 12.719 10.366 ( 7.135 -0.701 -1.193) 7.268 11.128 ( -6.018 -5.286 -0.260) 8.014 11.328 ( -2.868 -2.553 0.384) 3.859 11.475 ( -4.517 0.703 0.055) 4.572 11.832 ( 0.685 -2.039 1.572) 2.664 12.227 ( -2.736 -9.802 0.751) 10.204 12.433 ( 3.702 -2.085 3.230) 5.337 12.678 ( 2.752 2.728 1.062) 4.017 12.910 ( -1.301 10.311 2.042) 10.592 13.450 ( 0.466 0.963 -2.070) 2.330 17.833 ( 3.182 0.723 -0.246) 3.272 18.132 ( -4.599 -3.302 0.923) 5.737 22.838 ( -0.513 -2.031 0.157) 2.100 23.401 ( -0.718 -3.995 -0.862) 4.150 23.638 ( -3.849 7.441 -1.882) 8.586 24.418 ( -17.722 -10.723 8.390) 22.349 25.687 ( 8.923 8.095 -10.393) 15.911 26.070 ( 13.957 0.097 2.604) 14.199 ======================= Grid point 103 (48/185) ======================= q-point: ( 0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 1.809 16.132 2.166) 16.377 1.932 ( 1.845 11.104 7.923) 13.765 2.326 ( 1.061 3.156 -11.897) 12.354 2.336 ( -4.981 2.734 -2.102) 6.059 2.395 ( 6.488 6.543 -2.538) 9.557 2.568 ( -0.238 -1.638 -2.540) 3.032 2.723 ( -3.989 5.908 2.955) 7.717 3.124 ( 4.746 -4.696 0.287) 6.683 3.174 ( -2.767 -8.766 -3.024) 9.677 3.227 ( -0.448 -3.169 3.215) 4.537 3.335 ( -2.533 -3.112 7.745) 8.723 3.598 ( 0.544 1.739 0.690) 1.948 3.797 ( -2.983 6.107 -0.632) 6.825 3.916 ( 1.189 8.986 -3.001) 9.548 4.047 ( 3.790 4.534 2.318) 6.348 4.255 ( 10.131 -1.687 -3.256) 10.775 4.397 ( 2.828 2.387 -2.145) 4.277 4.909 ( 0.161 2.952 1.797) 3.460 5.029 ( -6.963 -7.995 -1.159) 10.665 5.334 ( -6.113 6.011 -1.116) 8.645 5.577 ( -2.068 -2.693 5.019) 6.060 5.683 ( 1.180 -3.044 0.510) 3.304 5.891 ( 3.092 1.676 0.438) 3.544 6.005 ( -4.086 -0.117 0.573) 4.128 6.118 ( -6.898 -3.601 -7.355) 10.707 6.372 ( 3.718 0.607 7.002) 7.952 7.126 ( -1.298 1.371 -2.463) 3.104 7.193 ( -1.536 -0.870 -1.711) 2.458 7.637 ( 6.842 -6.494 -4.179) 10.317 7.852 ( -0.048 -0.171 -1.934) 1.942 8.232 ( 0.094 6.314 4.600) 7.813 8.420 ( 7.117 8.303 0.723) 10.960 8.582 ( -11.124 3.994 1.793) 11.954 9.540 ( 3.164 -5.985 -1.122) 6.862 9.907 ( 12.251 2.747 0.476) 12.564 10.033 ( -6.912 5.823 -2.627) 9.412 10.483 ( 5.641 -3.010 -1.229) 6.511 10.999 ( -5.760 -9.421 -2.669) 11.361 11.320 ( 1.151 0.573 -0.170) 1.297 11.393 ( -4.163 0.820 -0.308) 4.254 11.842 ( -0.967 -2.790 1.810) 3.463 12.193 ( -0.815 -9.411 -1.913) 9.638 12.507 ( 1.271 -2.415 4.116) 4.938 12.721 ( 1.203 0.865 0.442) 1.546 12.899 ( -1.940 12.198 3.045) 12.721 13.454 ( 1.231 2.212 -0.948) 2.703 17.883 ( 2.320 -0.079 -0.374) 2.351 18.063 ( -3.203 -2.727 0.544) 4.241 22.839 ( 0.317 -3.160 -0.525) 3.219 23.383 ( -0.354 -6.736 -0.455) 6.760 23.583 ( -0.312 7.862 -3.134) 8.469 24.200 ( -11.729 -8.779 3.485) 15.059 25.738 ( 4.660 10.496 -8.461) 14.264 26.294 ( 7.669 -0.927 6.716) 10.236 ======================= Grid point 104 (49/185) ======================= q-point: (-0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -8.863 13.617 1.049) 16.281 1.902 ( -10.797 12.613 2.658) 16.814 2.183 ( 1.216 4.709 -4.849) 6.868 2.332 ( -0.810 7.737 -5.925) 9.779 2.494 ( 4.389 5.266 -1.314) 6.980 2.561 ( 1.371 1.131 -0.922) 2.002 2.677 ( -0.593 9.342 -2.576) 9.709 3.120 ( -0.756 -8.322 -2.050) 8.604 3.232 ( 5.919 -2.043 0.114) 6.263 3.265 ( 1.952 -5.646 2.676) 6.546 3.329 ( -6.084 5.065 6.265) 10.095 3.663 ( 5.573 -2.666 -0.439) 6.194 3.748 ( -0.230 1.104 4.828) 4.958 3.930 ( 1.261 4.379 -1.318) 4.744 4.092 ( -0.267 0.315 2.486) 2.520 4.310 ( -1.156 -0.914 -1.187) 1.892 4.501 ( 5.875 -1.136 2.536) 6.499 4.777 ( -8.991 6.448 -2.858) 11.427 5.080 ( 8.792 -5.006 -1.216) 10.190 5.206 ( -5.543 5.598 -2.282) 8.202 5.584 ( -1.299 -2.305 3.720) 4.565 5.684 ( -1.140 -5.065 -0.309) 5.201 5.918 ( -0.310 2.125 -6.287) 6.644 5.947 ( -1.418 -0.554 2.463) 2.895 5.982 ( -2.736 -3.808 -4.548) 6.533 6.514 ( 5.958 1.896 7.380) 9.673 7.082 ( -0.688 3.602 -1.620) 4.009 7.153 ( -0.722 0.713 -5.773) 5.862 7.723 ( 2.447 -5.320 0.650) 5.892 7.838 ( 3.045 -5.619 -3.468) 7.272 8.205 ( -9.138 10.761 3.032) 14.439 8.392 ( -5.232 5.661 0.301) 7.715 8.585 ( 6.831 6.189 1.279) 9.306 9.559 ( -0.404 -5.364 0.067) 5.380 9.922 ( -4.137 3.914 0.884) 5.763 10.181 ( 16.155 3.499 3.330) 16.862 10.494 ( -4.178 -2.867 -0.525) 5.095 10.952 ( 4.826 -9.102 -5.479) 11.668 11.321 ( -0.901 2.391 -2.459) 3.547 11.360 ( 0.673 -1.350 1.531) 2.149 11.824 ( -2.278 -3.607 0.993) 4.380 12.164 ( -0.419 -8.676 -3.271) 9.282 12.533 ( -2.363 -2.571 5.446) 6.470 12.713 ( -2.288 -1.073 -0.063) 2.528 12.898 ( -0.688 14.214 2.923) 14.528 13.476 ( 1.552 2.030 -0.004) 2.556 17.881 ( -2.303 0.015 -0.470) 2.350 18.057 ( 2.245 -2.910 0.293) 3.687 22.831 ( -0.615 -3.014 -0.826) 3.185 23.393 ( 1.702 -7.493 0.006) 7.684 23.575 ( 2.316 8.365 -3.986) 9.551 24.069 ( -3.791 -6.668 -1.400) 7.797 25.717 ( -0.503 11.091 -7.164) 13.214 26.441 ( 1.678 -3.195 10.522) 11.124 ======================= Grid point 105 (50/185) ======================= q-point: (-0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -12.520 14.638 2.477) 19.420 1.684 ( -13.226 17.818 -0.185) 22.191 2.177 ( -0.895 8.392 -6.624) 10.729 2.253 ( -4.167 10.096 3.103) 11.354 2.480 ( -3.923 8.668 -4.618) 10.576 2.594 ( 2.292 8.143 0.275) 8.464 2.695 ( 4.792 5.335 -3.554) 8.004 3.109 ( 0.587 -6.797 -1.703) 7.031 3.219 ( -5.065 6.174 2.580) 8.392 3.315 ( 0.696 -3.805 2.738) 4.739 3.365 ( 8.832 2.115 -2.583) 9.442 3.735 ( 3.501 -4.102 -4.972) 7.335 3.819 ( -2.129 1.617 7.262) 7.738 3.936 ( 0.588 1.301 0.900) 1.688 4.107 ( -0.068 -7.692 3.977) 8.659 4.268 ( -3.738 -0.800 6.220) 7.301 4.539 ( -1.361 -2.311 -0.062) 2.683 4.703 ( 2.666 5.994 -2.449) 7.003 5.072 ( -3.061 6.836 -4.556) 8.767 5.270 ( 8.921 -4.765 -0.496) 10.126 5.584 ( -1.409 -4.089 2.116) 4.815 5.629 ( -3.024 -8.943 -3.646) 10.120 5.864 ( 1.500 -1.653 -4.994) 5.470 5.918 ( -3.587 3.399 2.686) 5.624 5.972 ( 2.369 -3.618 -3.007) 5.267 6.680 ( 6.436 1.431 6.218) 9.063 7.072 ( -3.986 -1.891 -4.153) 6.059 7.093 ( 3.603 9.579 -2.885) 10.633 7.694 ( -3.514 -0.606 -0.956) 3.692 7.936 ( 3.132 -6.400 1.807) 7.350 8.016 ( -5.998 11.288 -2.524) 13.030 8.352 ( -2.093 5.429 1.414) 5.987 8.693 ( 4.101 4.071 1.262) 5.915 9.513 ( -5.912 -7.610 1.097) 9.698 9.901 ( 0.351 1.436 1.591) 2.172 10.364 ( -8.128 -5.189 -0.596) 9.662 10.526 ( 18.682 7.651 5.528) 20.931 11.053 ( 10.096 -6.477 -5.947) 13.388 11.297 ( 0.177 0.913 -1.831) 2.053 11.390 ( 1.495 -1.127 0.869) 2.064 11.781 ( -2.568 -3.362 -0.502) 4.260 12.124 ( -1.390 -7.047 -3.938) 8.191 12.503 ( -6.313 -3.038 6.656) 9.663 12.657 ( -3.473 0.361 -0.112) 3.493 12.911 ( -0.080 13.480 1.986) 13.626 13.506 ( 1.645 0.661 0.300) 1.798 17.822 ( -3.324 0.912 -0.707) 3.519 18.120 ( 3.982 -3.737 0.473) 5.481 22.820 ( 0.533 -1.302 -0.376) 1.456 23.430 ( 1.718 -6.765 0.507) 6.998 23.606 ( 4.888 9.116 -4.406) 11.243 24.052 ( 4.626 -4.060 -5.415) 8.198 25.612 ( -5.492 10.457 -6.560) 13.511 26.507 ( -4.546 -7.847 13.249) 16.055 ======================= Grid point 106 (51/185) ======================= q-point: (-0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -13.713 17.192 5.020) 22.557 1.457 ( -11.662 24.710 -1.560) 27.368 2.054 ( -5.086 18.417 -4.950) 19.737 2.264 ( 0.080 9.027 5.718) 10.686 2.315 ( -10.068 21.104 -2.094) 23.476 2.643 ( 3.514 2.736 -0.846) 4.534 2.761 ( 4.334 0.289 -1.577) 4.621 3.109 ( 0.887 -1.418 -0.875) 1.888 3.206 ( 0.135 -2.120 1.957) 2.888 3.335 ( 1.104 3.490 0.277) 3.671 3.500 ( 6.585 0.767 -3.998) 7.742 3.660 ( -4.345 0.435 -4.714) 6.426 3.754 ( -7.822 4.774 2.559) 9.514 3.976 ( 2.142 -0.059 0.137) 2.147 4.129 ( -1.610 -8.027 3.458) 8.887 4.308 ( 2.759 -2.308 6.592) 7.509 4.545 ( 1.310 5.006 -1.614) 5.420 4.759 ( 4.315 -8.954 1.707) 10.086 5.006 ( -1.534 10.796 -2.194) 11.123 5.382 ( 3.795 -4.855 -2.697) 6.727 5.536 ( -0.688 -11.268 -1.146) 11.347 5.604 ( 1.466 -6.794 -2.615) 7.426 5.876 ( -3.864 -0.651 3.724) 5.406 5.896 ( 4.436 -0.332 -2.354) 5.033 5.995 ( 2.618 -2.513 -2.066) 4.176 6.749 ( -5.879 -6.773 1.435) 9.082 7.002 ( 1.042 4.263 0.670) 4.440 7.175 ( 7.857 10.513 -2.027) 13.280 7.640 ( 0.298 6.900 -3.307) 7.658 7.820 ( -7.231 9.872 1.354) 12.312 8.109 ( 7.124 -6.069 -1.960) 9.562 8.321 ( -1.771 3.540 0.878) 4.055 8.751 ( 1.287 2.172 2.372) 3.464 9.348 ( -14.527 -11.489 1.545) 18.586 9.934 ( 2.053 -0.624 0.206) 2.156 10.223 ( -6.823 -3.938 -0.368) 7.887 10.896 ( 18.439 4.533 -1.179) 19.025 11.194 ( 9.994 -3.792 -3.047) 11.115 11.301 ( 1.790 0.828 -0.838) 2.143 11.438 ( 2.737 -1.603 3.826) 4.970 11.749 ( 0.400 -0.232 -0.807) 0.930 12.044 ( -4.586 -4.884 -3.899) 7.751 12.417 ( -8.165 -2.263 5.467) 10.084 12.603 ( -2.856 0.947 0.798) 3.113 12.924 ( 0.247 12.791 1.311) 12.860 13.534 ( 1.480 -1.110 -0.178) 1.859 17.766 ( -2.297 1.918 -0.714) 3.076 18.190 ( 3.280 -4.544 0.766) 5.656 22.866 ( 4.824 1.232 0.940) 5.067 23.454 ( 0.125 -5.915 1.857) 6.201 23.687 ( 8.642 10.619 -4.754) 14.493 24.140 ( 11.152 0.545 -9.204) 14.469 25.437 ( -8.384 9.022 -6.285) 13.827 26.461 ( -13.336 -15.668 14.600) 25.228 ======================= Grid point 107 (52/185) ======================= q-point: (-0.11 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -12.897 19.415 5.780) 24.014 1.260 ( -7.637 29.671 -4.421) 30.955 2.004 ( 0.037 27.786 6.588) 28.556 2.125 ( -7.976 23.160 -4.058) 24.829 2.337 ( 1.995 9.911 6.336) 11.931 2.705 ( 3.025 -2.621 0.424) 4.025 2.814 ( 2.540 -0.861 -0.267) 2.696 3.098 ( -2.565 -5.414 -4.512) 7.500 3.200 ( -0.566 0.988 0.968) 1.495 3.365 ( 2.293 1.813 -3.407) 4.490 3.505 ( 2.488 7.213 1.284) 7.737 3.589 ( -6.131 13.961 0.134) 15.248 3.677 ( -0.275 -1.158 -0.547) 1.310 4.008 ( 1.410 0.415 0.402) 1.523 4.106 ( -2.523 -6.054 1.980) 6.851 4.398 ( 0.786 -1.047 0.377) 1.362 4.536 ( 2.151 3.612 -2.618) 4.953 4.830 ( 0.525 -11.483 -2.195) 11.703 5.013 ( 2.024 9.244 6.242) 11.336 5.380 ( -0.170 -7.132 0.155) 7.136 5.551 ( 1.140 -9.206 -4.995) 10.535 5.644 ( 6.349 -10.035 -1.581) 11.979 5.839 ( -3.052 -4.390 2.798) 6.035 5.964 ( 3.816 -0.287 -0.376) 3.846 6.046 ( 4.277 -0.486 0.476) 4.331 6.548 ( -13.572 -7.334 -0.150) 15.427 7.067 ( 2.054 2.624 2.383) 4.097 7.337 ( 11.520 7.857 -1.997) 14.086 7.656 ( 2.628 11.847 -2.304) 12.352 7.768 ( 1.963 6.463 -1.223) 6.864 8.131 ( -2.571 -1.054 -1.658) 3.235 8.349 ( 4.364 -2.266 -0.119) 4.918 8.781 ( -0.431 0.589 3.981) 4.047 9.025 ( -22.108 -12.211 1.155) 25.283 9.960 ( 1.281 -1.997 -1.765) 2.957 10.130 ( -3.543 -3.131 0.020) 4.728 11.028 ( 6.459 4.670 -19.045) 20.646 11.310 ( 3.259 1.386 0.737) 3.617 11.388 ( 5.626 -2.387 0.415) 6.126 11.557 ( 4.437 -4.280 5.053) 7.971 11.796 ( 1.602 1.238 -2.498) 3.215 11.952 ( -1.050 -4.575 8.847) 10.015 12.323 ( -4.986 -0.058 2.382) 5.526 12.569 ( -1.871 1.026 1.278) 2.487 12.942 ( 0.838 11.978 0.986) 12.047 13.550 ( 0.707 -2.760 -1.116) 3.059 17.733 ( -0.876 2.632 -0.417) 2.805 18.241 ( 1.676 -4.991 1.025) 5.364 22.984 ( 5.993 1.509 1.135) 6.283 23.466 ( -1.382 -6.128 4.137) 7.522 23.851 ( 12.037 10.851 -2.060) 16.336 24.300 ( 19.388 9.749 -16.959) 27.541 25.254 ( -6.495 6.267 -4.993) 10.315 26.229 ( -26.037 -22.905 15.488) 37.980 ======================= Grid point 108 (53/185) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.165 22.029 2.780) 22.204 1.695 ( -1.559 25.780 -7.281) 26.833 2.250 ( -0.093 7.173 -6.661) 9.789 2.493 ( 1.114 -5.941 1.168) 6.157 2.539 ( -2.028 6.263 6.165) 9.019 2.713 ( -0.717 10.383 -2.605) 10.729 2.956 ( -1.194 4.046 1.797) 4.585 2.995 ( 1.128 10.822 2.483) 11.161 3.276 ( -0.339 6.619 0.510) 6.647 3.383 ( 1.696 -0.711 -1.802) 2.575 3.552 ( -1.565 -1.988 -0.203) 2.538 3.716 ( 3.257 2.051 2.872) 4.802 3.855 ( 0.380 -7.296 -0.335) 7.313 3.969 ( 3.163 13.174 -1.288) 13.610 4.148 ( -2.280 7.821 0.399) 8.156 4.288 ( -10.325 0.746 -3.370) 10.887 4.588 ( -1.682 -10.928 2.146) 11.263 4.683 ( 6.788 5.492 0.230) 8.735 5.134 ( -1.280 -7.525 2.354) 7.988 5.314 ( 2.527 -2.741 0.157) 3.731 5.397 ( -0.661 4.410 -0.243) 4.466 5.497 ( 2.840 -13.594 -0.936) 13.919 5.668 ( -0.806 -8.164 4.837) 9.523 5.991 ( 0.972 -1.462 0.961) 2.001 6.134 ( 2.692 -1.916 0.684) 3.374 6.287 ( -0.157 -5.667 1.302) 5.817 7.105 ( -2.611 3.405 -2.609) 5.022 7.467 ( 1.198 -4.010 -4.234) 5.953 7.833 ( -0.761 9.816 -0.216) 9.847 8.008 ( 9.780 5.483 -2.686) 11.529 8.030 ( -8.274 2.581 -2.125) 8.924 8.411 ( 4.435 1.116 -2.136) 5.048 8.579 ( -5.045 -8.173 1.131) 9.671 8.769 ( -1.429 -3.197 3.642) 5.053 9.911 ( -0.508 -1.119 -3.232) 3.458 10.029 ( -0.570 -3.778 -0.714) 3.886 11.110 ( 2.190 7.298 -9.198) 11.944 11.405 ( -0.605 2.677 1.653) 3.204 11.432 ( 2.151 -1.009 2.432) 3.400 11.523 ( 0.687 -4.941 2.442) 5.554 11.679 ( -4.483 0.066 -3.297) 5.566 11.916 ( 0.482 -8.552 5.551) 10.207 12.364 ( 0.659 3.445 0.557) 3.551 12.552 ( -0.751 -1.402 1.293) 2.049 13.154 ( -0.201 9.476 -1.082) 9.540 13.483 ( -0.173 -2.779 -2.556) 3.779 17.799 ( 0.316 4.510 0.131) 4.523 18.151 ( -0.181 -6.374 1.245) 6.497 23.063 ( -1.268 2.476 0.087) 2.783 23.361 ( -1.263 -6.150 4.890) 7.958 24.154 ( 0.994 10.939 -1.337) 11.065 24.698 ( 19.074 -4.284 -8.938) 21.496 25.241 ( -0.043 4.856 -4.408) 6.559 25.552 ( -16.044 -9.980 6.357) 19.935 ======================= Grid point 109 (54/185) ======================= q-point: ( 0.11 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 7.792 18.308 4.512) 20.402 1.680 ( 5.404 21.939 -4.036) 22.953 2.199 ( 1.144 10.518 -7.176) 12.784 2.403 ( -5.305 -2.907 -1.987) 6.367 2.639 ( 1.479 6.970 4.398) 8.374 2.719 ( 4.021 0.245 -1.290) 4.230 2.916 ( -2.841 -1.164 1.742) 3.530 2.987 ( -3.066 5.177 -2.922) 6.689 3.253 ( -3.236 2.342 -1.502) 4.268 3.418 ( 2.211 3.512 0.566) 4.189 3.518 ( -0.552 2.795 -0.110) 2.851 3.809 ( 2.479 3.093 4.688) 6.140 3.871 ( 0.554 -3.546 -0.267) 3.599 3.970 ( -6.262 5.784 3.781) 9.326 4.071 ( -5.233 -1.862 -5.988) 8.167 4.110 ( -1.898 14.872 -0.505) 15.001 4.525 ( -4.303 -6.679 -1.059) 8.016 4.831 ( 7.702 5.123 1.419) 9.358 5.127 ( -1.223 -5.364 0.228) 5.506 5.353 ( 0.443 -4.126 1.654) 4.468 5.411 ( 1.676 0.050 3.373) 3.767 5.533 ( 1.909 -10.456 1.613) 10.751 5.708 ( 1.177 -5.070 2.328) 5.702 6.006 ( -0.532 -3.612 0.187) 3.656 6.124 ( -1.777 0.755 4.748) 5.125 6.428 ( 10.601 -7.910 0.588) 13.240 7.006 ( -4.466 3.333 -5.743) 8.002 7.396 ( -5.449 -5.776 -2.351) 8.281 7.845 ( -0.387 9.635 -2.468) 9.953 7.864 ( -5.049 4.139 -1.324) 6.661 8.140 ( 6.761 4.369 -1.919) 8.275 8.398 ( -1.861 4.183 0.272) 4.587 8.699 ( 14.903 -10.449 -2.915) 18.433 8.777 ( -0.786 -3.437 3.735) 5.136 9.869 ( -0.940 -0.569 -4.394) 4.530 10.035 ( 2.144 -5.007 -1.152) 5.567 11.020 ( -6.003 13.164 -9.289) 17.193 11.284 ( -7.847 1.073 -0.227) 7.923 11.466 ( -6.767 -2.340 2.994) 7.761 11.508 ( -0.071 -0.957 5.337) 5.422 11.691 ( 4.765 -1.180 -0.784) 4.972 11.986 ( 2.943 -11.308 2.679) 11.987 12.371 ( -0.497 2.738 1.193) 3.028 12.561 ( 0.943 -1.793 1.295) 2.405 13.138 ( -0.258 9.695 -1.591) 9.829 13.462 ( 0.204 -2.242 -2.915) 3.683 17.810 ( 0.783 4.167 0.232) 4.246 18.143 ( -1.773 -5.994 1.355) 6.396 22.999 ( -5.361 3.442 0.338) 6.380 23.361 ( -2.460 -6.205 3.570) 7.569 24.068 ( -7.956 10.869 -1.350) 13.537 24.708 ( -13.830 -12.242 3.332) 18.769 25.409 ( 23.743 4.878 -12.203) 27.137 25.515 ( 6.192 -2.744 3.136) 7.464 ======================= Grid point 110 (55/185) ======================= q-point: ( 0.22 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 7.890 13.176 5.934) 16.464 1.822 ( 10.989 16.477 0.393) 19.809 2.211 ( 5.685 12.266 -5.060) 14.435 2.329 ( -0.850 -2.174 -1.798) 2.946 2.624 ( -1.053 1.533 -5.921) 6.207 2.766 ( -2.043 0.618 3.608) 4.192 2.840 ( -6.259 -0.241 -6.052) 8.710 2.956 ( 3.587 -8.159 0.229) 8.916 3.173 ( -4.313 0.717 -0.441) 4.394 3.346 ( -8.639 -1.995 0.467) 8.879 3.549 ( -1.230 7.694 -2.494) 8.181 3.768 ( -6.801 6.457 3.863) 10.142 3.870 ( 1.355 0.017 -0.595) 1.480 3.934 ( -2.109 2.043 6.580) 7.205 4.005 ( 2.464 -0.924 -1.724) 3.146 4.142 ( 3.887 16.989 -1.461) 17.489 4.452 ( -1.972 -4.031 -2.313) 5.048 4.951 ( 3.987 7.694 1.395) 8.777 5.089 ( -1.580 -4.577 -2.469) 5.435 5.369 ( -0.593 -3.378 3.784) 5.107 5.482 ( 2.533 -5.409 3.943) 7.157 5.606 ( 2.835 -4.816 5.623) 7.928 5.722 ( 0.661 -2.064 -2.113) 3.027 5.979 ( -2.156 -7.159 0.505) 7.493 6.173 ( 1.459 3.548 7.034) 8.012 6.538 ( -0.292 -6.564 -3.791) 7.586 6.933 ( 3.434 0.964 -4.044) 5.392 7.276 ( -6.701 -6.393 0.027) 9.262 7.710 ( -5.130 5.689 -4.771) 9.025 7.887 ( 1.068 3.770 -0.973) 4.038 8.224 ( 4.305 6.375 0.735) 7.727 8.404 ( 2.688 7.760 -0.824) 8.254 8.783 ( -1.574 -2.597 3.159) 4.382 8.969 ( 17.411 -11.995 -4.052) 21.528 9.823 ( -0.054 1.074 -4.468) 4.596 10.086 ( 4.528 -6.940 -1.439) 8.411 10.776 ( -12.605 14.557 -7.158) 20.543 11.172 ( -7.246 -2.074 0.639) 7.564 11.355 ( -5.955 -1.379 2.772) 6.711 11.534 ( -1.769 0.012 4.074) 4.442 11.762 ( 3.140 -1.038 -0.352) 3.326 12.029 ( 0.008 -11.285 1.546) 11.391 12.383 ( 1.221 2.734 1.448) 3.326 12.605 ( 2.535 -2.596 1.648) 3.985 13.130 ( 0.580 10.599 -1.225) 10.686 13.452 ( 1.061 -1.185 -2.426) 2.900 17.830 ( 1.301 3.219 0.073) 3.473 18.110 ( -3.016 -5.197 1.220) 6.131 22.908 ( -4.946 3.883 0.817) 6.341 23.329 ( -3.326 -7.047 1.797) 7.997 23.908 ( -8.165 8.625 -1.404) 11.959 24.446 ( -17.762 -12.063 6.176) 22.341 25.669 ( 14.376 4.225 -7.274) 16.657 25.779 ( 19.841 0.496 -2.950) 20.066 ======================= Grid point 111 (56/185) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 7.573 11.347 5.402) 14.673 2.019 ( 9.126 12.949 2.485) 16.036 2.298 ( 4.554 5.951 1.522) 7.646 2.368 ( 7.451 0.856 -3.603) 8.320 2.516 ( -2.907 -1.889 -13.418) 13.859 2.667 ( -6.482 1.547 -3.286) 7.430 2.761 ( -2.818 -2.105 4.611) 5.799 2.990 ( -1.295 -11.889 0.213) 11.961 3.095 ( -4.520 -0.098 -0.296) 4.531 3.194 ( -7.127 -3.709 1.348) 8.147 3.429 ( -6.887 5.629 -0.425) 8.904 3.727 ( -2.893 7.286 2.712) 8.295 3.910 ( 2.031 1.148 -1.610) 2.835 3.952 ( 1.020 -0.670 3.652) 3.851 4.094 ( 7.538 2.724 -1.888) 8.234 4.200 ( 2.794 14.073 0.771) 14.369 4.434 ( 2.180 1.718 -2.506) 3.740 4.952 ( -3.419 5.882 0.086) 6.804 5.073 ( 0.840 -0.485 -1.814) 2.057 5.390 ( -1.288 -3.084 5.806) 6.699 5.543 ( 1.683 -6.266 1.609) 6.684 5.633 ( -2.765 0.340 0.068) 2.787 5.772 ( 5.351 -2.507 1.924) 6.215 5.947 ( -1.928 -8.841 0.694) 9.075 6.251 ( -0.328 3.525 7.172) 7.998 6.394 ( -6.358 1.324 -7.854) 10.192 7.035 ( 5.608 -5.064 1.481) 7.699 7.173 ( -3.779 -6.111 -0.858) 7.236 7.611 ( -1.248 4.318 -6.278) 7.721 7.863 ( -3.041 -1.960 0.184) 3.623 8.328 ( 6.571 11.483 0.850) 13.258 8.465 ( 4.747 7.582 -1.010) 9.002 8.755 ( -4.218 0.270 2.152) 4.743 9.224 ( 13.728 -11.909 -2.646) 18.365 9.823 ( 4.132 2.845 -3.132) 5.914 10.152 ( 3.168 -7.324 -1.790) 8.178 10.531 ( -8.973 11.677 -3.835) 15.217 11.004 ( -11.281 -6.892 0.201) 13.221 11.325 ( -0.208 2.327 2.091) 3.136 11.505 ( -3.913 1.530 1.716) 4.539 11.792 ( 0.381 -1.938 0.456) 2.027 12.021 ( -1.253 -10.507 0.452) 10.591 12.433 ( 2.575 1.697 1.799) 3.570 12.659 ( 1.827 -3.330 1.428) 4.058 13.139 ( 0.989 11.742 -0.162) 11.784 13.463 ( 1.769 0.036 -1.443) 2.283 17.857 ( 1.843 1.885 -0.211) 2.645 18.059 ( -3.562 -4.112 0.896) 5.514 22.849 ( -2.345 3.050 0.762) 3.921 23.277 ( -3.384 -8.040 0.695) 8.751 23.778 ( -4.969 6.577 -1.880) 8.455 24.205 ( -14.053 -10.622 4.533) 18.190 25.842 ( 10.674 7.587 -6.241) 14.506 26.069 ( 14.278 -0.439 -0.534) 14.295 ======================= Grid point 112 (57/185) ======================= q-point: ( 0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 2.024 13.789 1.804) 14.053 2.151 ( 3.279 10.566 4.083) 11.792 2.313 ( -4.764 0.247 -7.705) 9.063 2.416 ( 5.498 3.141 -2.246) 6.719 2.498 ( 5.973 0.740 -2.803) 6.640 2.558 ( -2.363 1.687 -1.549) 3.291 2.766 ( -0.889 -1.409 5.200) 5.460 2.933 ( -3.216 -13.085 -0.532) 13.484 3.041 ( 0.408 -3.917 -0.157) 3.941 3.167 ( 1.257 -5.517 4.428) 7.185 3.350 ( -3.928 6.800 3.942) 8.787 3.694 ( -2.455 6.653 1.853) 7.329 3.893 ( -2.256 2.291 -1.280) 3.461 3.976 ( 0.234 -1.704 -2.986) 3.446 4.184 ( 3.310 4.163 -4.317) 6.850 4.278 ( 4.881 5.463 3.122) 7.963 4.474 ( 2.971 7.542 -1.340) 8.216 4.916 ( 0.631 1.458 0.238) 1.606 5.044 ( -3.138 6.559 -0.189) 7.274 5.395 ( -3.615 -1.547 5.225) 6.539 5.546 ( -0.579 -2.488 -3.525) 4.353 5.584 ( -1.578 -3.561 -0.649) 3.949 5.850 ( 1.015 -5.017 -0.043) 5.119 5.932 ( -0.998 -7.657 2.425) 8.094 6.147 ( -5.867 6.378 -6.933) 11.099 6.395 ( 3.338 1.643 5.965) 7.031 7.062 ( -3.280 -4.977 4.743) 7.617 7.179 ( 3.918 -3.587 -2.725) 5.971 7.577 ( 2.922 0.772 -6.277) 6.966 7.802 ( -3.695 -4.074 0.039) 5.500 8.439 ( 4.764 12.973 0.315) 13.824 8.552 ( 5.267 5.369 -0.346) 7.529 8.665 ( -6.845 5.066 1.156) 8.594 9.385 ( 5.551 -10.331 -0.564) 11.741 9.944 ( 11.138 1.733 -1.100) 11.326 10.115 ( -5.763 0.821 -0.139) 5.823 10.462 ( 2.610 1.981 -2.084) 3.883 10.820 ( -8.087 -8.610 -0.829) 11.841 11.352 ( 1.279 2.999 1.278) 3.502 11.434 ( -4.428 2.549 -0.069) 5.110 11.788 ( -1.066 -2.538 0.545) 2.806 12.005 ( -0.366 -9.710 -0.657) 9.739 12.484 ( 1.074 0.410 2.529) 2.778 12.683 ( -0.080 -3.659 0.680) 3.722 13.157 ( 0.504 12.693 0.932) 12.738 13.486 ( 1.466 0.729 -0.428) 1.692 17.887 ( 1.576 0.602 -0.452) 1.747 18.006 ( -2.599 -3.049 0.496) 4.037 22.830 ( -0.678 2.097 0.413) 2.243 23.233 ( -1.588 -8.526 0.295) 8.677 23.709 ( -0.990 5.237 -2.634) 5.945 24.029 ( -8.334 -8.421 1.538) 11.947 25.938 ( 4.994 9.835 -5.455) 12.306 26.268 ( 7.258 -1.949 3.112) 8.134 ======================= Grid point 113 (58/185) ======================= q-point: (-0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -8.418 14.807 0.032) 17.033 2.153 ( -7.046 12.652 2.039) 14.624 2.271 ( 4.637 4.548 -1.493) 6.665 2.409 ( -1.952 0.406 -3.823) 4.312 2.543 ( 4.422 0.587 -3.760) 5.834 2.622 ( 4.490 4.419 1.056) 6.388 2.800 ( 1.317 2.281 3.330) 4.246 2.906 ( 0.825 -12.046 -1.275) 12.141 3.117 ( 6.333 -6.511 1.477) 9.202 3.291 ( 7.699 -4.543 6.038) 10.788 3.336 ( -2.994 3.811 7.966) 9.324 3.679 ( -0.167 5.359 0.823) 5.425 3.810 ( -4.323 4.538 -4.013) 7.442 3.941 ( -0.683 -3.245 -3.620) 4.910 4.169 ( -1.561 4.429 -2.276) 5.219 4.333 ( -1.265 2.786 2.127) 3.727 4.505 ( -0.057 5.082 1.675) 5.351 4.936 ( -1.436 7.440 -0.604) 7.601 5.039 ( 6.051 2.493 -0.789) 6.592 5.325 ( -6.429 3.588 1.572) 7.529 5.514 ( -0.170 -4.133 -2.910) 5.058 5.535 ( -3.484 -7.560 -1.801) 8.517 5.823 ( -0.877 -6.437 -4.676) 8.005 5.915 ( -2.570 -5.680 1.955) 6.533 6.054 ( -0.883 8.027 -3.883) 8.960 6.516 ( 4.955 -1.910 5.532) 7.668 7.056 ( -1.088 -2.216 3.337) 4.151 7.208 ( 1.076 0.734 -0.552) 1.415 7.623 ( 5.993 -3.308 -3.296) 7.598 7.745 ( -1.296 -4.324 -2.314) 5.072 8.484 ( -3.841 16.852 1.887) 17.387 8.505 ( -4.676 6.086 -1.600) 7.841 8.669 ( 4.597 2.452 0.485) 5.232 9.417 ( -1.830 -9.770 0.887) 9.979 9.987 ( -4.939 2.898 0.668) 5.765 10.189 ( 10.376 -2.779 2.538) 11.038 10.484 ( 1.310 2.057 -1.041) 2.652 10.778 ( 5.824 -8.313 -2.779) 10.523 11.356 ( -3.357 2.164 1.231) 4.180 11.383 ( 0.974 2.045 -1.755) 2.865 11.769 ( -0.940 -1.650 -0.203) 1.910 12.001 ( 0.578 -8.104 -1.058) 8.193 12.500 ( -1.930 -0.329 3.443) 3.961 12.669 ( -1.690 -3.368 0.039) 3.768 13.167 ( -0.389 12.793 1.442) 12.880 13.504 ( 0.526 0.497 0.303) 0.785 17.886 ( -1.446 0.552 -0.534) 1.637 17.997 ( 1.457 -3.098 0.152) 3.427 22.825 ( -0.037 2.275 0.274) 2.292 23.234 ( 1.372 -8.849 0.305) 8.960 23.702 ( 2.661 4.978 -3.298) 6.538 23.944 ( -1.040 -5.940 -1.549) 6.226 25.931 ( -1.697 10.706 -4.388) 11.694 26.367 ( 0.081 -4.511 5.733) 7.295 ======================= Grid point 114 (59/185) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -9.268 17.334 2.275) 19.787 2.037 ( -7.671 17.382 2.624) 19.179 2.298 ( -0.289 3.609 -1.990) 4.132 2.380 ( 0.633 3.552 -1.186) 3.797 2.568 ( 1.428 3.417 -2.860) 4.679 2.697 ( 4.172 2.738 -0.041) 4.990 2.858 ( 2.582 3.005 0.997) 4.085 2.924 ( 1.530 -5.835 -1.116) 6.134 3.236 ( 5.184 -4.892 1.253) 7.237 3.344 ( -3.288 2.503 7.492) 8.556 3.469 ( 9.333 5.680 -4.160) 11.691 3.700 ( 1.758 1.044 -1.824) 2.740 3.744 ( -1.489 -1.795 6.222) 6.645 3.916 ( 0.835 -4.193 -1.694) 4.598 4.110 ( -3.468 2.993 -0.434) 4.602 4.305 ( -3.858 4.078 4.114) 6.960 4.495 ( -1.684 2.050 2.845) 3.890 4.882 ( -2.418 10.409 -5.080) 11.833 5.162 ( 6.824 -1.419 -3.328) 7.723 5.244 ( -3.020 2.367 3.557) 5.233 5.439 ( -4.747 -4.946 -2.815) 7.411 5.488 ( -0.756 -6.892 -2.332) 7.315 5.773 ( -1.158 -6.900 -3.332) 7.749 5.901 ( 0.229 -5.899 0.362) 5.915 6.016 ( -1.006 7.389 -2.601) 7.898 6.615 ( 1.440 -7.749 2.198) 8.182 7.063 ( -0.148 2.449 2.393) 3.427 7.237 ( 2.277 3.949 1.827) 4.911 7.678 ( 1.612 -0.923 -1.824) 2.603 7.782 ( 8.472 -6.974 -3.000) 11.376 8.313 ( -10.323 16.432 -0.787) 19.421 8.486 ( -2.115 8.509 0.258) 8.771 8.735 ( 2.241 0.216 0.776) 2.382 9.331 ( -9.304 -11.555 1.715) 14.934 9.937 ( -1.770 2.445 1.540) 3.389 10.231 ( -5.243 -7.427 1.094) 9.157 10.650 ( 16.499 4.893 0.574) 17.219 10.923 ( 11.722 -6.481 -3.658) 13.885 11.320 ( -1.264 1.465 0.850) 2.114 11.381 ( -0.001 -0.569 -1.240) 1.364 11.764 ( 1.038 1.641 -0.509) 2.007 12.001 ( 0.149 -5.633 -1.369) 5.799 12.468 ( -4.702 -0.282 3.918) 6.127 12.629 ( -2.650 -2.827 0.163) 3.879 13.166 ( -0.821 12.133 1.240) 12.223 13.510 ( -0.075 -0.507 0.488) 0.708 17.848 ( -1.979 1.825 -0.626) 2.764 18.041 ( 2.873 -4.318 0.196) 5.190 22.844 ( 2.187 3.531 0.728) 4.216 23.274 ( 2.318 -8.896 0.575) 9.211 23.753 ( 6.155 6.028 -3.679) 9.368 23.975 ( 7.096 -3.693 -4.100) 8.989 25.815 ( -7.868 10.418 -3.648) 13.555 26.350 ( -7.765 -8.353 7.055) 13.410 ======================= Grid point 115 (60/185) ======================= q-point: (-0.22 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -10.547 19.674 2.689) 22.484 1.927 ( -6.580 22.578 1.214) 23.548 2.279 ( 1.579 6.400 -4.305) 7.873 2.384 ( -0.151 2.297 0.609) 2.381 2.566 ( -0.776 4.043 2.252) 4.692 2.775 ( 5.211 2.431 -1.400) 5.918 2.869 ( -2.803 13.852 0.870) 14.159 2.944 ( 1.898 -6.707 0.401) 6.982 3.282 ( 0.104 4.450 -0.545) 4.485 3.368 ( 2.290 0.269 1.169) 2.585 3.520 ( 2.460 2.053 -6.474) 7.224 3.701 ( 0.761 2.215 -2.165) 3.189 3.828 ( 2.223 2.405 7.858) 8.513 3.935 ( -0.900 -8.341 0.944) 8.442 4.083 ( 1.840 5.551 0.053) 5.848 4.293 ( -0.248 1.518 6.602) 6.779 4.522 ( 1.596 -4.867 3.429) 6.164 4.769 ( -4.524 9.229 -7.564) 12.761 5.174 ( -1.067 1.519 -0.070) 1.858 5.300 ( 2.188 -10.533 1.967) 10.936 5.351 ( -0.729 4.005 -3.572) 5.416 5.459 ( -0.514 -7.271 -1.958) 7.548 5.729 ( -2.895 -9.893 0.385) 10.315 5.932 ( 3.685 -5.166 -0.949) 6.416 5.985 ( -0.384 6.036 -1.701) 6.283 6.567 ( -7.080 -10.811 -0.511) 12.933 7.100 ( 1.541 5.756 2.906) 6.629 7.315 ( 5.195 3.583 0.856) 6.369 7.719 ( 6.371 2.455 -3.968) 7.897 7.908 ( 4.502 -4.124 0.587) 6.134 8.151 ( -5.079 13.155 -2.604) 14.340 8.430 ( -4.015 7.129 -0.261) 8.186 8.762 ( -0.118 -1.274 1.787) 2.198 9.113 ( -16.523 -13.045 1.452) 21.102 9.933 ( 0.076 0.754 0.349) 0.835 10.135 ( -5.323 -4.912 0.541) 7.264 10.943 ( 15.770 1.523 -3.998) 16.340 11.114 ( 12.566 -4.165 -1.682) 13.345 11.315 ( 0.181 0.415 -0.501) 0.675 11.387 ( 0.667 -3.121 3.200) 4.519 11.804 ( 3.080 4.366 0.899) 5.418 11.968 ( -2.981 -3.064 -2.056) 4.743 12.403 ( -5.147 0.910 2.950) 6.002 12.587 ( -2.490 -2.308 1.119) 3.575 13.161 ( -0.450 11.203 0.622) 11.229 13.510 ( -0.145 -1.743 -0.149) 1.755 17.815 ( -1.187 3.201 -0.541) 3.457 18.092 ( 2.480 -5.507 0.516) 6.061 22.920 ( 5.306 4.176 1.564) 6.931 23.313 ( 1.191 -7.973 1.505) 8.200 23.868 ( 10.223 7.890 -3.768) 13.452 24.128 ( 14.369 -1.714 -6.191) 15.739 25.612 ( -11.731 9.042 -3.463) 15.211 26.191 ( -16.595 -12.449 7.238) 21.972 ======================= Grid point 116 (61/185) ======================= q-point: (-0.11 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -8.818 21.546 2.212) 23.386 1.810 ( -5.191 25.960 -5.041) 26.949 2.280 ( 1.709 7.823 -4.984) 9.432 2.408 ( 2.097 -0.383 3.447) 4.053 2.572 ( -2.496 1.959 4.760) 5.720 2.778 ( -3.140 11.832 -3.964) 12.868 2.881 ( 3.698 13.648 4.273) 14.771 2.983 ( 1.081 -3.035 0.894) 3.343 3.281 ( -0.107 7.271 0.523) 7.291 3.375 ( 0.351 -0.241 -3.123) 3.152 3.543 ( 2.720 -1.633 -0.080) 3.174 3.688 ( -0.628 0.896 -0.475) 1.193 3.872 ( -1.603 -1.856 0.149) 2.457 3.926 ( 1.813 5.761 0.204) 6.043 4.134 ( 2.635 7.776 0.666) 8.237 4.393 ( 1.906 0.380 5.414) 5.753 4.545 ( -0.467 -13.821 -0.402) 13.835 4.661 ( -1.404 8.473 -2.605) 8.975 5.150 ( -2.473 -5.041 2.303) 6.069 5.289 ( 0.788 -1.513 -2.340) 2.895 5.394 ( 2.672 0.140 -0.553) 2.732 5.451 ( 1.786 -8.685 -1.481) 8.989 5.680 ( -3.737 -10.544 3.398) 11.691 5.974 ( 0.548 -0.318 -0.108) 0.643 6.024 ( 6.610 -1.415 -0.620) 6.788 6.403 ( -9.909 -7.874 -0.004) 12.657 7.133 ( 0.164 4.611 0.637) 4.658 7.417 ( 6.279 0.343 -2.236) 6.674 7.834 ( 8.123 5.746 -3.647) 10.597 7.900 ( -2.667 7.249 1.331) 7.838 8.124 ( 0.848 1.334 -3.238) 3.603 8.368 ( -0.973 4.132 -0.820) 4.323 8.759 ( -3.734 -4.150 2.382) 6.069 8.812 ( -15.412 -9.199 1.408) 18.004 9.932 ( 0.103 -0.592 -1.507) 1.623 10.063 ( -3.013 -3.665 -0.009) 4.745 11.097 ( 8.137 3.398 -10.047) 13.367 11.321 ( 8.487 -0.948 1.177) 8.620 11.341 ( 4.024 -1.639 1.474) 4.588 11.452 ( 2.988 -5.634 4.568) 7.845 11.825 ( -4.051 1.287 -4.476) 6.173 11.891 ( -2.911 -2.017 5.384) 6.445 12.356 ( -1.276 3.209 1.010) 3.598 12.562 ( -1.584 -1.681 1.589) 2.803 13.160 ( 0.054 10.217 -0.197) 10.219 13.502 ( -0.148 -2.616 -1.407) 2.974 17.799 ( -0.319 4.169 -0.210) 4.187 18.132 ( 1.362 -6.226 0.924) 6.439 23.027 ( 4.474 3.045 1.286) 5.563 23.340 ( -0.191 -6.775 3.587) 7.668 24.044 ( 11.354 9.409 -2.507) 14.957 24.381 ( 21.003 -0.009 -9.126) 22.900 25.380 ( -10.498 6.587 -3.606) 12.907 25.884 ( -23.497 -13.931 7.149) 28.236 ======================= Grid point 117 (62/185) ======================= q-point: ( 0.00 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.272 20.036 -0.827) 20.055 2.028 ( -0.769 -0.217 -7.818) 7.859 2.251 ( -1.208 1.380 0.455) 1.889 2.365 ( -0.047 -4.910 -2.309) 5.426 2.673 ( 0.351 8.135 1.986) 8.381 2.798 ( -0.328 -2.068 -4.099) 4.603 3.017 ( -2.768 5.249 -1.780) 6.195 3.123 ( -3.446 -2.866 -3.442) 5.651 3.354 ( -2.672 2.699 -1.089) 3.951 3.439 ( -2.109 -5.149 1.497) 5.762 3.586 ( 5.197 13.502 0.205) 14.469 3.714 ( 5.944 -2.493 -0.720) 6.486 3.809 ( 1.161 4.672 4.756) 6.767 3.995 ( -0.979 -8.319 0.747) 8.410 4.266 ( -4.631 4.453 1.478) 6.592 4.388 ( -1.392 -8.507 4.691) 9.814 4.511 ( -2.867 18.630 0.168) 18.850 4.821 ( 3.318 -2.385 -2.758) 4.930 4.911 ( -0.418 -2.210 3.227) 3.934 5.138 ( 1.955 -14.332 0.008) 14.465 5.376 ( 1.618 2.700 2.631) 4.102 5.498 ( 1.815 -8.470 4.952) 9.978 5.641 ( -0.419 14.740 -1.931) 14.872 5.896 ( 0.461 -10.097 -1.397) 10.204 6.108 ( 1.871 1.444 2.248) 3.261 6.179 ( 0.150 -5.181 2.419) 5.720 7.209 ( -2.108 7.038 -4.672) 8.706 7.353 ( -0.969 -7.260 -5.272) 9.024 7.987 ( -0.335 4.632 -0.848) 4.721 8.022 ( 0.329 0.032 -1.885) 1.914 8.168 ( 2.189 8.621 -1.826) 9.080 8.354 ( 3.069 -9.270 -1.737) 9.918 8.541 ( -3.190 5.981 1.217) 6.887 8.674 ( -1.493 -6.484 1.947) 6.933 9.913 ( -0.749 1.362 -2.595) 3.025 9.959 ( -0.812 -3.226 -1.690) 3.731 11.239 ( 2.028 6.482 -1.542) 6.965 11.363 ( 0.807 -6.015 3.307) 6.911 11.441 ( 1.643 1.213 3.479) 4.034 11.461 ( 3.817 -1.280 2.337) 4.655 11.711 ( -4.497 2.877 -3.990) 6.665 11.787 ( -2.337 -5.087 -0.990) 5.685 12.436 ( -0.130 3.853 0.483) 3.885 12.506 ( -0.573 -3.207 0.840) 3.364 13.313 ( -0.113 6.858 -1.809) 7.094 13.419 ( -0.147 -4.216 -2.106) 4.715 17.900 ( 0.160 5.938 0.566) 5.967 18.023 ( -0.008 -6.667 1.022) 6.745 23.131 ( -1.135 4.638 1.404) 4.976 23.238 ( -1.014 -6.247 3.346) 7.158 24.365 ( 3.370 10.748 -2.277) 11.492 24.560 ( 8.204 -9.190 -3.962) 12.940 25.328 ( -1.481 4.240 -2.473) 5.127 25.415 ( -6.480 -5.189 0.159) 8.303 ======================= Grid point 118 (63/185) ======================= q-point: ( 0.11 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 5.718 17.410 -1.275) 18.370 1.998 ( 3.750 5.065 -6.968) 9.395 2.241 ( 0.961 -0.748 -1.669) 2.066 2.330 ( -1.240 -4.075 -2.388) 4.883 2.706 ( 2.259 1.655 -0.014) 2.800 2.737 ( -1.826 0.152 -6.315) 6.575 2.937 ( -5.072 2.349 0.250) 5.595 2.989 ( -6.695 -2.949 -5.767) 9.315 3.282 ( -4.640 3.598 0.127) 5.873 3.386 ( -4.927 -5.927 1.019) 7.774 3.682 ( 4.759 9.577 -0.673) 10.715 3.805 ( 3.790 -3.841 -0.335) 5.407 3.890 ( 1.683 4.635 5.082) 7.082 3.971 ( -2.712 -3.532 0.320) 4.464 4.129 ( -9.854 8.531 3.405) 13.471 4.319 ( -6.850 -8.547 3.936) 11.639 4.512 ( 2.696 18.023 -1.075) 18.255 4.860 ( 2.953 -13.917 -1.131) 14.272 5.004 ( 6.249 6.398 3.038) 9.445 5.204 ( 4.118 -11.624 1.645) 12.441 5.431 ( 1.058 5.004 3.530) 6.215 5.561 ( 0.048 -3.598 3.793) 5.228 5.623 ( 1.244 7.972 0.506) 8.085 5.855 ( -3.095 -11.443 -1.189) 11.914 6.170 ( 3.142 4.201 4.057) 6.632 6.280 ( 6.959 -7.032 2.184) 10.131 7.109 ( -3.858 7.024 -6.982) 10.629 7.258 ( -4.395 -7.968 -5.940) 10.866 7.930 ( -5.897 2.977 -1.430) 6.759 7.957 ( -2.671 1.169 -1.001) 3.083 8.272 ( 8.720 9.769 -1.825) 13.221 8.484 ( 11.863 -10.896 -3.481) 16.480 8.530 ( 1.164 7.597 1.586) 7.847 8.679 ( 0.423 -6.762 1.811) 7.013 9.882 ( -0.037 2.038 -3.542) 4.086 9.944 ( 0.917 -4.212 -2.387) 4.927 11.221 ( -5.339 7.702 -1.294) 9.461 11.297 ( -9.710 -0.432 0.578) 9.737 11.427 ( -5.923 -0.798 3.759) 7.060 11.461 ( -2.383 -3.614 6.908) 8.152 11.713 ( 5.856 3.306 -3.679) 7.665 11.811 ( 4.880 -6.908 -2.719) 8.884 12.435 ( -0.295 3.743 0.927) 3.867 12.507 ( 0.233 -3.541 1.031) 3.695 13.300 ( 0.596 6.944 -2.293) 7.337 13.405 ( 0.664 -3.977 -2.495) 4.742 17.905 ( -0.122 5.636 0.671) 5.678 18.022 ( -1.010 -6.346 1.148) 6.528 23.090 ( -4.329 5.986 1.368) 7.512 23.223 ( -3.304 -7.482 2.935) 8.689 24.274 ( -10.261 10.624 -0.881) 14.796 24.482 ( -12.723 -11.155 0.562) 16.930 25.469 ( 18.250 1.686 -5.610) 19.167 25.488 ( 13.081 -0.689 -2.153) 13.275 ======================= Grid point 119 (64/185) ======================= q-point: ( 0.22 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 5.985 13.778 -1.606) 15.107 2.060 ( 7.578 3.221 -4.223) 9.254 2.259 ( 2.330 -0.650 -1.597) 2.898 2.325 ( 3.663 -1.189 -2.319) 4.495 2.646 ( -2.139 2.004 -8.326) 8.826 2.728 ( 1.240 -5.756 -4.608) 7.477 2.832 ( -7.521 0.925 -1.399) 7.705 2.857 ( -5.324 -1.392 3.147) 6.339 3.199 ( -5.788 3.018 1.763) 6.761 3.281 ( -8.093 -4.600 1.105) 9.374 3.687 ( -3.305 7.232 -3.645) 8.747 3.818 ( -0.228 -5.462 -3.375) 6.425 3.877 ( -3.321 4.121 3.581) 6.390 3.932 ( -2.257 -1.670 3.144) 4.215 4.104 ( 1.954 8.604 4.760) 10.026 4.262 ( -2.001 -6.771 1.716) 7.266 4.575 ( 4.640 18.619 0.160) 19.189 4.914 ( 3.594 -14.030 -0.613) 14.496 5.121 ( 4.265 8.161 1.824) 9.387 5.287 ( 2.812 -7.908 3.142) 8.962 5.438 ( -1.164 6.462 0.505) 6.585 5.586 ( 0.083 -3.115 3.254) 4.505 5.679 ( 2.718 0.951 2.219) 3.636 5.800 ( -2.097 -9.637 0.076) 9.863 6.265 ( 3.339 6.012 4.740) 8.353 6.399 ( 3.815 -7.518 1.102) 8.503 6.999 ( -1.895 5.713 -6.241) 8.671 7.134 ( -4.591 -7.756 -4.739) 10.183 7.812 ( -5.887 4.810 -1.621) 7.773 7.887 ( -4.752 -2.704 -0.159) 5.470 8.424 ( 9.955 12.668 -2.555) 16.313 8.549 ( 3.311 5.545 -3.023) 7.131 8.701 ( 4.848 -6.342 1.898) 8.206 8.738 ( 11.689 -9.970 -0.610) 15.376 9.867 ( 1.546 3.583 -3.456) 5.213 9.959 ( 2.901 -5.905 -2.319) 6.976 10.996 ( -14.802 8.277 -2.510) 17.144 11.111 ( -12.998 -4.276 0.369) 13.688 11.386 ( -1.268 4.490 3.713) 5.963 11.490 ( -0.928 -4.812 5.612) 7.451 11.772 ( 2.742 2.437 -2.344) 4.354 11.857 ( 1.766 -6.481 -1.775) 6.948 12.451 ( 1.178 4.136 1.367) 4.513 12.535 ( 1.705 -4.350 1.453) 4.893 13.305 ( 1.728 7.318 -1.865) 7.747 13.409 ( 1.819 -3.598 -2.035) 4.516 17.906 ( -0.221 4.690 0.484) 4.720 18.006 ( -1.744 -5.458 0.974) 5.812 23.015 ( -4.955 7.136 1.362) 8.794 23.172 ( -4.449 -8.683 2.077) 9.975 24.069 ( -11.215 8.270 -0.505) 13.944 24.238 ( -14.469 -9.594 1.793) 17.453 25.738 ( 16.485 2.897 -4.084) 17.229 25.777 ( 18.980 -1.006 -4.173) 19.460 ======================= Grid point 120 (65/185) ======================= q-point: ( 0.33 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 7.871 9.881 0.278) 12.636 2.170 ( 7.678 -3.232 -3.132) 8.900 2.318 ( 5.012 4.771 0.336) 6.928 2.405 ( 5.669 -0.776 -1.916) 6.034 2.548 ( -1.876 5.046 -6.786) 8.663 2.656 ( -4.771 -3.850 -4.365) 7.526 2.727 ( -4.576 -0.215 1.364) 4.780 2.787 ( -5.547 -7.398 2.205) 9.506 3.095 ( -7.301 0.803 1.820) 7.567 3.132 ( -8.351 -2.791 1.432) 8.920 3.596 ( -2.868 11.115 -1.389) 11.562 3.805 ( 1.116 -7.281 -2.386) 7.743 3.864 ( -1.976 2.308 3.439) 4.590 3.921 ( -2.149 -1.743 2.622) 3.812 4.183 ( 4.554 4.904 0.258) 6.698 4.267 ( 1.703 -3.442 -0.110) 3.842 4.665 ( 4.604 17.990 0.913) 18.593 4.958 ( 1.693 -9.501 -1.084) 9.712 5.169 ( 0.852 9.604 -0.536) 9.656 5.331 ( -0.766 -4.665 3.376) 5.809 5.441 ( 0.739 1.430 1.211) 2.014 5.591 ( -1.083 -7.308 1.658) 7.572 5.746 ( 2.819 -0.194 1.708) 3.302 5.779 ( -0.681 -5.261 -0.456) 5.324 6.336 ( -0.042 4.846 4.242) 6.441 6.406 ( -1.786 -1.427 -1.559) 2.768 6.975 ( 1.656 0.241 -0.692) 1.811 7.047 ( -1.151 -6.186 -3.065) 6.999 7.707 ( -4.087 5.084 -2.609) 7.026 7.798 ( -5.049 -4.271 -0.019) 6.613 8.556 ( 6.800 8.698 -3.185) 11.491 8.587 ( 3.554 4.427 -3.410) 6.622 8.773 ( 3.428 4.040 2.826) 6.005 8.974 ( 12.640 -13.605 -0.508) 18.578 9.895 ( 4.467 4.821 -2.346) 6.979 10.010 ( 4.261 -6.957 -1.571) 8.307 10.728 ( -12.863 8.614 -1.992) 15.609 10.873 ( -13.308 -6.863 -0.191) 14.975 11.407 ( 0.253 5.520 2.861) 6.223 11.499 ( -2.042 -2.870 3.332) 4.849 11.778 ( -0.167 1.211 -1.228) 1.733 11.852 ( -0.634 -6.527 -0.951) 6.626 12.490 ( 1.755 4.009 1.372) 4.586 12.577 ( 1.554 -4.752 1.286) 5.162 13.331 ( 2.162 7.784 -0.818) 8.120 13.436 ( 2.345 -3.220 -1.049) 4.119 17.907 ( -0.002 3.232 0.136) 3.234 17.978 ( -1.952 -4.104 0.605) 4.584 22.949 ( -3.442 7.072 1.156) 7.950 23.108 ( -3.900 -9.009 1.298) 9.903 23.896 ( -7.522 6.058 -0.866) 9.697 24.026 ( -10.551 -7.801 1.145) 13.172 25.968 ( 12.346 5.269 -3.690) 13.921 26.043 ( 13.590 -2.513 -2.252) 14.003 ======================= Grid point 121 (66/185) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 6.850 8.757 0.921) 11.157 2.262 ( 4.534 -0.407 -3.446) 5.710 2.400 ( 1.670 6.357 1.344) 6.708 2.439 ( 1.774 1.379 -1.262) 2.577 2.477 ( -5.277 0.049 -2.404) 5.799 2.604 ( 4.117 0.200 1.070) 4.258 2.674 ( -3.469 -7.218 0.071) 8.009 2.722 ( -0.153 -5.982 2.178) 6.368 3.006 ( -3.135 0.527 2.007) 3.759 3.059 ( -1.984 -4.665 3.460) 6.138 3.561 ( -1.195 13.533 -0.029) 13.585 3.792 ( -1.101 -2.169 -1.519) 2.868 3.851 ( -1.608 -4.872 1.082) 5.243 3.891 ( -2.595 -1.999 0.804) 3.373 4.257 ( 3.567 3.885 -1.826) 5.581 4.315 ( 3.063 -1.590 0.634) 3.509 4.728 ( 1.651 15.903 -0.110) 15.989 4.960 ( 0.467 -3.696 -1.699) 4.095 5.161 ( -0.635 6.350 -1.565) 6.570 5.317 ( -2.648 -6.367 1.990) 7.178 5.459 ( -0.091 2.202 1.573) 2.707 5.588 ( -1.076 -3.610 1.545) 4.071 5.751 ( -1.028 -3.326 -2.783) 4.457 5.784 ( 0.037 -5.057 -0.286) 5.065 6.294 ( -3.428 7.575 -1.909) 8.531 6.398 ( 0.197 -2.469 2.141) 3.274 7.003 ( 0.502 0.095 3.685) 3.720 7.072 ( 3.792 -5.991 0.753) 7.131 7.634 ( -1.144 4.143 -3.979) 5.857 7.718 ( -3.324 -4.407 -1.187) 5.646 8.612 ( 2.026 3.522 -3.188) 5.164 8.625 ( 3.908 1.869 -2.191) 4.854 8.845 ( 1.512 14.425 2.524) 14.722 9.141 ( 5.682 -14.739 0.694) 15.811 9.990 ( 7.028 3.305 -0.661) 7.794 10.068 ( 2.181 -4.280 0.308) 4.813 10.550 ( -4.766 6.045 -1.601) 7.863 10.673 ( -7.934 -6.768 -0.588) 10.445 11.424 ( -0.313 3.786 1.204) 3.985 11.465 ( -3.353 0.042 0.639) 3.413 11.765 ( -0.255 0.858 -0.305) 0.946 11.840 ( 0.216 -6.784 -0.285) 6.793 12.522 ( 0.505 3.310 1.446) 3.647 12.601 ( 0.116 -4.514 0.868) 4.599 13.360 ( 1.222 8.130 0.203) 8.224 13.467 ( 1.459 -3.061 -0.100) 3.393 17.909 ( 0.222 1.661 -0.208) 1.689 17.951 ( -1.368 -2.627 0.207) 2.969 22.914 ( -1.419 6.418 0.856) 6.629 23.064 ( -1.815 -8.716 0.811) 8.940 23.797 ( -2.678 4.308 -1.634) 5.329 23.891 ( -5.097 -5.820 -0.276) 7.741 26.103 ( 5.602 7.134 -2.726) 9.472 26.212 ( 6.442 -4.144 -0.017) 7.660 ======================= Grid point 122 (67/185) ======================= q-point: (-0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -5.905 12.985 0.386) 14.270 2.318 ( -1.343 -3.028 0.491) 3.348 2.363 ( -2.701 8.475 -0.046) 8.895 2.412 ( 1.328 2.519 -0.914) 2.991 2.519 ( 6.600 -1.900 -2.444) 7.290 2.624 ( -0.376 -9.528 -1.546) 9.660 2.748 ( 7.775 2.740 3.672) 9.024 2.811 ( 4.789 -1.985 6.075) 7.986 3.027 ( 3.261 -1.222 2.640) 4.370 3.106 ( 2.463 -8.634 7.114) 11.455 3.546 ( 0.245 13.123 -0.595) 13.139 3.754 ( -1.040 -2.325 -3.071) 3.989 3.829 ( -0.733 -4.211 0.042) 4.274 3.849 ( -1.741 -0.970 -1.120) 2.286 4.259 ( -2.167 5.620 -1.503) 6.208 4.343 ( -1.391 -2.251 0.816) 2.769 4.728 ( -1.271 14.774 0.773) 14.849 4.964 ( 1.030 -6.336 -2.052) 6.739 5.135 ( 0.250 5.356 -2.261) 5.819 5.279 ( -3.290 -6.958 1.498) 7.841 5.458 ( -1.425 5.846 1.391) 6.175 5.553 ( -2.513 2.934 -2.345) 4.519 5.711 ( -0.347 -5.120 -4.546) 6.856 5.742 ( -3.393 -9.687 -0.264) 10.268 6.238 ( -1.353 10.340 -2.072) 10.632 6.422 ( 0.768 -7.876 1.102) 7.990 7.062 ( 2.078 3.204 5.565) 6.749 7.154 ( 2.888 -5.160 4.961) 7.719 7.615 ( 2.919 1.905 -4.660) 5.820 7.670 ( -0.018 -3.444 -3.231) 4.722 8.607 ( -0.289 4.531 -2.180) 5.036 8.669 ( 2.556 -1.463 -1.830) 3.467 8.840 ( -4.307 18.213 2.447) 18.875 9.173 ( -3.063 -15.474 1.676) 15.864 10.042 ( -2.418 3.121 1.344) 4.171 10.113 ( 1.514 -4.170 2.201) 4.953 10.549 ( 6.011 4.179 -1.718) 7.520 10.643 ( 6.323 -5.761 -1.876) 8.757 11.399 ( -3.412 1.721 -0.089) 3.822 11.410 ( -1.654 0.574 -1.561) 2.346 11.775 ( 1.651 2.466 0.261) 2.979 11.861 ( 1.985 -6.140 0.461) 6.470 12.524 ( -1.607 2.718 1.711) 3.591 12.594 ( -1.512 -4.103 0.644) 4.420 13.372 ( -0.350 8.197 0.760) 8.240 13.481 ( -0.107 -3.215 0.495) 3.254 17.905 ( -0.476 1.444 -0.386) 1.569 17.943 ( 0.510 -2.454 -0.100) 2.509 22.912 ( 0.503 6.435 0.749) 6.498 23.061 ( 0.887 -8.760 0.674) 8.830 23.779 ( 2.440 3.425 -2.502) 4.893 23.848 ( 1.270 -4.060 -1.873) 4.648 26.119 ( -2.042 8.674 -1.621) 9.057 26.263 ( -1.338 -6.360 1.619) 6.698 ======================= Grid point 123 (68/185) ======================= q-point: (-0.33 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -5.811 16.022 1.639) 17.122 2.271 ( -2.255 -3.213 2.037) 4.422 2.314 ( -4.024 6.924 0.810) 8.049 2.419 ( -1.634 -1.209 -1.087) 2.304 2.602 ( 5.151 0.606 -3.304) 6.150 2.650 ( 4.797 -5.564 -2.904) 7.899 2.874 ( 3.112 7.611 5.491) 9.887 2.959 ( 6.373 1.081 4.360) 7.797 3.138 ( 6.246 -3.467 2.769) 7.662 3.220 ( 2.407 -11.423 9.156) 14.836 3.588 ( 6.010 8.515 -3.500) 10.995 3.721 ( 0.495 -2.965 -3.622) 4.707 3.809 ( -0.281 3.335 -1.757) 3.780 3.857 ( 2.761 -1.391 1.232) 3.328 4.164 ( -6.692 5.559 -0.407) 8.709 4.289 ( -4.650 -5.107 0.965) 6.974 4.700 ( -3.392 14.977 2.285) 15.525 4.945 ( -1.133 -7.630 -2.877) 8.232 5.149 ( 2.085 1.694 -1.095) 2.901 5.212 ( -5.659 -2.911 1.192) 6.474 5.418 ( -2.258 4.061 -3.070) 5.569 5.505 ( -0.840 5.056 -0.985) 5.219 5.632 ( -3.164 -5.964 -4.472) 8.098 5.731 ( 1.422 -10.284 -0.088) 10.382 6.198 ( -1.955 11.004 -1.734) 11.310 6.420 ( -1.814 -11.509 -0.373) 11.657 7.148 ( 2.393 5.493 5.861) 8.381 7.241 ( 2.180 -3.170 5.922) 7.062 7.666 ( 5.346 -0.008 -3.549) 6.417 7.689 ( 6.919 -2.686 -4.921) 8.906 8.564 ( -3.454 8.527 -1.803) 9.375 8.667 ( -2.182 0.635 -2.614) 3.464 8.755 ( -5.895 11.745 3.366) 13.566 9.064 ( -10.604 -15.919 2.040) 19.236 10.000 ( -2.997 4.204 1.867) 5.490 10.099 ( -3.807 -6.049 1.994) 7.420 10.730 ( 14.628 3.862 -1.979) 15.258 10.813 ( 13.247 -4.928 -2.640) 14.379 11.346 ( -2.122 1.112 -0.312) 2.416 11.365 ( -1.858 -0.939 -1.660) 2.663 11.824 ( 3.136 3.960 0.795) 5.113 11.905 ( 2.119 -4.474 0.569) 4.983 12.493 ( -3.342 2.705 1.940) 4.718 12.561 ( -2.644 -3.936 0.828) 4.814 13.362 ( -1.261 8.022 0.749) 8.155 13.473 ( -1.078 -3.640 0.596) 3.843 17.893 ( -0.334 2.935 -0.411) 2.983 17.960 ( 1.371 -3.925 -0.114) 4.159 22.947 ( 2.803 6.888 1.078) 7.514 23.100 ( 2.663 -8.797 0.909) 9.236 23.845 ( 7.489 3.818 -3.238) 9.008 23.910 ( 8.018 -3.206 -3.326) 9.254 26.009 ( -9.333 9.596 -0.910) 13.417 26.185 ( -9.333 -8.793 2.393) 13.044 ======================= Grid point 124 (69/185) ======================= q-point: (-0.22 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -7.555 18.893 0.509) 20.354 2.244 ( -3.457 -0.375 -2.726) 4.418 2.271 ( -1.354 -0.400 4.196) 4.427 2.361 ( -2.140 -1.837 -1.149) 3.046 2.643 ( 1.870 4.683 -1.408) 5.236 2.731 ( 5.757 -4.566 -1.852) 7.578 2.967 ( 3.504 9.791 3.923) 11.114 3.071 ( 3.122 3.424 3.813) 6.000 3.267 ( 6.096 -2.509 1.756) 6.822 3.322 ( 2.957 -7.958 6.721) 10.828 3.615 ( 1.396 5.393 -9.800) 11.273 3.700 ( 0.293 -2.880 -5.184) 5.938 3.842 ( 0.406 6.053 2.300) 6.488 3.932 ( 3.948 1.896 2.758) 5.176 4.107 ( 2.217 0.483 3.775) 4.405 4.226 ( -2.519 -8.890 1.556) 9.370 4.644 ( -4.365 14.926 1.687) 15.642 4.888 ( -2.404 -4.421 -3.347) 6.044 5.097 ( -8.185 -0.233 2.053) 8.441 5.168 ( 0.287 -4.207 -1.548) 4.492 5.365 ( -0.875 0.930 -2.719) 3.004 5.478 ( -1.991 -4.571 -0.777) 5.046 5.590 ( 1.368 5.009 -1.126) 5.313 5.777 ( 4.106 -10.006 -0.799) 10.845 6.141 ( -3.181 9.811 -0.945) 10.358 6.350 ( -5.460 -11.445 -0.557) 12.693 7.219 ( 1.448 6.215 3.433) 7.246 7.316 ( 2.509 -3.136 2.865) 4.933 7.761 ( 8.964 2.257 -3.694) 9.955 7.818 ( 9.550 -3.952 -2.320) 10.593 8.436 ( -9.413 14.047 -1.904) 17.016 8.563 ( -5.964 4.303 -1.844) 7.582 8.713 ( -2.784 -1.804 2.205) 3.983 8.853 ( -13.874 -13.181 1.714) 19.214 9.969 ( -1.787 2.960 0.761) 3.540 10.043 ( -3.516 -4.479 0.980) 5.778 10.979 ( 15.013 2.485 -3.512) 15.618 11.039 ( 14.188 -3.597 -2.131) 14.792 11.320 ( -0.656 0.370 -0.265) 0.799 11.338 ( -0.551 -1.712 1.337) 2.241 11.877 ( 1.184 2.888 1.132) 3.320 11.921 ( -1.146 -2.040 -0.174) 2.347 12.448 ( -2.821 3.524 1.723) 4.832 12.524 ( -2.134 -3.946 1.326) 4.678 13.344 ( -1.080 7.669 0.202) 7.747 13.456 ( -1.061 -4.096 0.046) 4.231 17.889 ( 0.105 4.484 -0.211) 4.490 17.985 ( 1.385 -5.395 0.177) 5.573 23.022 ( 4.299 6.329 1.669) 7.831 23.160 ( 2.746 -7.758 1.583) 8.380 23.994 ( 12.415 5.350 -3.737) 14.026 24.078 ( 14.251 -3.429 -4.474) 15.325 25.787 ( -14.679 9.261 -0.770) 17.373 25.974 ( -16.496 -10.280 2.392) 19.583 ======================= Grid point 125 (70/185) ======================= q-point: (-0.11 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -6.279 20.356 -0.577) 21.311 2.132 ( -4.366 -4.353 -6.578) 9.015 2.267 ( -2.138 1.716 3.389) 4.359 2.360 ( 1.875 -1.906 -1.544) 3.088 2.659 ( 0.020 8.098 1.526) 8.240 2.799 ( 3.004 -4.654 -2.036) 5.902 3.035 ( 1.998 8.139 -0.460) 8.393 3.138 ( 1.392 2.459 2.773) 3.959 3.363 ( 2.623 0.269 1.260) 2.922 3.418 ( 2.352 -3.492 4.268) 5.995 3.549 ( 0.597 9.327 -6.768) 11.539 3.666 ( 1.473 -3.522 -5.442) 6.648 3.803 ( -3.614 5.377 2.951) 7.119 4.001 ( 0.357 -5.788 1.236) 5.930 4.247 ( 4.248 0.630 1.930) 4.709 4.273 ( 6.836 -6.075 6.626) 11.293 4.578 ( -4.224 14.790 0.810) 15.403 4.826 ( -1.231 -0.061 -3.393) 3.610 4.969 ( -7.224 -2.765 1.903) 7.965 5.143 ( -1.408 -10.915 -1.029) 11.053 5.349 ( 0.366 1.014 -0.160) 1.090 5.456 ( -0.321 -8.209 1.991) 8.453 5.629 ( 2.586 12.006 -0.600) 12.296 5.853 ( 4.723 -9.967 -0.985) 11.074 6.089 ( -1.792 6.332 0.550) 6.603 6.240 ( -6.353 -8.776 0.599) 10.851 7.245 ( 0.256 6.631 -0.740) 6.677 7.365 ( 2.247 -5.123 -1.711) 5.850 7.910 ( 9.788 2.990 -2.667) 10.577 7.955 ( 6.243 -1.231 -0.517) 6.384 8.254 ( -7.902 10.906 -2.414) 13.682 8.427 ( -7.591 -2.728 -1.920) 8.292 8.630 ( -8.306 -2.092 1.614) 8.716 8.700 ( -3.406 -5.369 1.893) 6.634 9.944 ( -1.148 1.745 -0.975) 2.305 9.994 ( -2.222 -3.319 -0.392) 4.013 11.172 ( 9.370 4.419 -4.506) 11.297 11.261 ( 10.902 -4.340 -0.540) 11.746 11.339 ( 2.961 0.552 2.450) 3.882 11.367 ( 2.268 -2.797 2.843) 4.588 11.845 ( -5.571 0.902 -2.170) 6.046 11.863 ( -4.656 -1.083 1.511) 5.014 12.432 ( -0.315 4.260 0.944) 4.374 12.509 ( -0.814 -3.587 1.283) 3.895 13.328 ( -0.502 7.194 -0.769) 7.253 13.438 ( -0.620 -4.297 -1.046) 4.466 17.893 ( 0.302 5.543 0.194) 5.555 18.009 ( 0.889 -6.353 0.632) 6.446 23.103 ( 2.813 4.852 1.778) 5.884 23.212 ( 1.257 -6.318 2.645) 6.964 24.210 ( 14.137 7.620 -3.510) 16.439 24.331 ( 17.983 -4.753 -5.345) 19.353 25.510 ( -14.751 7.126 -1.124) 16.420 25.665 ( -19.214 -9.300 1.946) 21.434 ======================= Grid point 162 (71/185) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -10.836 0.000 -2.183) 11.054 0.973 ( -7.184 0.000 24.166) 25.211 1.425 ( 8.712 0.000 10.637) 13.750 1.530 ( 10.288 0.000 35.630) 37.085 2.234 ( 2.100 0.000 3.600) 4.168 2.704 ( 0.590 0.000 -17.108) 17.119 2.837 ( 1.383 0.000 -0.874) 1.636 3.003 ( -6.016 0.000 -1.593) 6.224 3.156 ( 0.727 0.000 -2.664) 2.761 3.223 ( 8.159 0.000 0.821) 8.200 3.397 ( -0.944 0.000 -0.007) 0.944 3.423 ( -0.171 0.000 3.877) 3.880 3.766 ( 1.759 0.000 2.169) 2.793 3.963 ( 0.457 0.000 -1.318) 1.395 4.095 ( -1.371 0.000 -10.038) 10.131 4.330 ( -4.949 0.000 -8.650) 9.965 4.375 ( -5.992 0.000 0.118) 5.993 4.647 ( 5.769 0.000 0.565) 5.797 5.368 ( 0.523 0.000 -1.951) 2.020 5.554 ( 4.801 0.000 0.990) 4.902 5.663 ( -0.111 0.000 -1.016) 1.022 5.757 ( 0.659 0.000 -0.476) 0.813 5.935 ( -0.666 0.000 -4.403) 4.453 6.035 ( 12.544 0.000 0.747) 12.567 6.233 ( -11.844 0.000 0.794) 11.871 6.784 ( 1.787 0.000 1.156) 2.128 7.148 ( -9.482 0.000 4.595) 10.537 7.265 ( 6.439 0.000 1.704) 6.661 7.552 ( 0.017 0.000 -1.323) 1.323 7.611 ( 12.558 0.000 2.762) 12.858 8.137 ( 5.900 0.000 -8.571) 10.405 8.507 ( -0.481 0.000 0.431) 0.646 8.933 ( -22.431 0.000 -0.185) 22.432 8.975 ( -0.454 0.000 11.076) 11.085 9.748 ( 0.198 0.000 1.332) 1.347 9.917 ( -1.066 0.000 -6.338) 6.427 10.182 ( 0.714 0.000 0.527) 0.887 11.246 ( -0.100 0.000 -0.688) 0.695 11.419 ( -0.447 0.000 -0.561) 0.717 11.663 ( 2.368 0.000 1.232) 2.669 11.852 ( 1.200 0.000 -2.625) 2.886 12.288 ( -1.716 0.000 0.836) 1.909 12.479 ( 0.155 0.000 -1.114) 1.124 12.543 ( 0.265 0.000 0.376) 0.460 13.044 ( 8.230 0.000 7.613) 11.212 13.730 ( -4.936 0.000 -6.313) 8.014 17.678 ( 0.752 0.000 -0.006) 0.752 18.388 ( -0.711 0.000 1.402) 1.572 23.015 ( -0.577 0.000 -0.609) 0.839 23.084 ( 0.134 0.000 -0.001) 0.134 23.668 ( -0.002 0.000 -0.533) 0.533 24.036 ( 26.425 0.000 -0.156) 26.426 25.157 ( 1.446 0.000 0.863) 1.684 26.909 ( -26.341 0.000 -0.503) 26.346 ======================= Grid point 163 (72/185) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -2.758 0.000 -6.802) 7.340 1.156 ( 6.971 0.000 22.341) 23.404 1.685 ( 9.365 0.000 12.236) 15.408 2.023 ( 16.331 0.000 27.783) 32.227 2.295 ( 2.147 0.000 2.155) 3.042 2.674 ( 8.145 0.000 -15.008) 17.075 2.830 ( 0.409 0.000 -2.195) 2.233 2.860 ( -8.612 0.000 1.101) 8.682 3.089 ( -4.471 0.000 -2.426) 5.086 3.354 ( 3.211 0.000 -1.728) 3.646 3.403 ( 4.518 0.000 -1.255) 4.689 3.428 ( -1.624 0.000 4.513) 4.797 3.834 ( 5.164 0.000 -11.704) 12.792 3.885 ( -8.467 0.000 -0.825) 8.508 4.018 ( -0.400 0.000 -3.928) 3.948 4.216 ( -0.659 0.000 -6.180) 6.215 4.262 ( -6.706 0.000 0.630) 6.736 4.753 ( 5.899 0.000 0.647) 5.935 5.321 ( -3.040 0.000 -3.368) 4.537 5.651 ( -0.197 0.000 -1.431) 1.444 5.652 ( 1.394 0.000 2.040) 2.471 5.727 ( 1.123 0.000 -0.576) 1.262 5.962 ( 6.248 0.000 -4.681) 7.807 6.016 ( -11.324 0.000 -0.201) 11.326 6.245 ( 7.939 0.000 3.252) 8.579 6.918 ( -18.636 0.000 1.633) 18.708 6.937 ( 14.189 0.000 -0.067) 14.189 7.284 ( -7.790 0.000 3.777) 8.657 7.565 ( 2.393 0.000 -1.088) 2.629 7.644 ( -4.724 0.000 5.734) 7.429 8.039 ( -4.815 0.000 -5.473) 7.289 8.478 ( -3.325 0.000 1.188) 3.531 9.023 ( 21.427 0.000 -4.645) 21.924 9.024 ( -3.864 0.000 11.436) 12.071 9.761 ( 0.239 0.000 1.108) 1.134 9.825 ( -3.489 0.000 -6.791) 7.635 10.230 ( 4.335 0.000 -0.151) 4.338 11.235 ( -0.568 0.000 -0.544) 0.786 11.418 ( 0.432 0.000 -0.390) 0.582 11.676 ( -1.553 0.000 -0.255) 1.574 11.843 ( 0.525 0.000 -2.342) 2.400 12.317 ( 3.412 0.000 2.101) 4.007 12.457 ( -1.392 0.000 -0.774) 1.592 12.571 ( 2.227 0.000 -0.005) 2.227 13.109 ( -7.637 0.000 8.459) 11.397 13.542 ( -7.587 0.000 -5.445) 9.338 17.704 ( 2.271 0.000 -0.161) 2.276 18.365 ( -3.046 0.000 1.440) 3.369 22.993 ( -0.270 0.000 -1.397) 1.423 23.095 ( 1.109 0.000 -0.032) 1.110 23.653 ( -1.174 0.000 -0.475) 1.267 24.566 ( 35.774 0.000 -15.250) 38.889 25.161 ( -2.284 0.000 1.158) 2.560 26.456 ( -27.954 0.000 14.164) 31.338 ======================= Grid point 164 (73/185) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 8.807 0.000 -3.076) 9.329 1.478 ( 10.615 0.000 18.264) 21.125 1.899 ( 6.811 0.000 5.955) 9.047 2.325 ( -0.361 0.000 0.267) 0.449 2.447 ( 12.535 0.000 11.874) 17.266 2.649 ( -4.093 0.000 -6.317) 7.527 2.725 ( -8.570 0.000 2.404) 8.901 2.917 ( 13.434 0.000 -7.609) 15.439 3.021 ( 1.935 0.000 -1.513) 2.456 3.353 ( 0.660 0.000 -2.067) 2.170 3.455 ( 1.237 0.000 4.858) 5.013 3.490 ( 4.691 0.000 -1.392) 4.893 3.689 ( -11.373 0.000 -1.081) 11.424 3.767 ( 0.563 0.000 -13.702) 13.714 3.991 ( -2.237 0.000 -1.388) 2.632 4.166 ( -4.000 0.000 0.498) 4.031 4.216 ( 3.514 0.000 -2.186) 4.139 4.854 ( 4.841 0.000 -0.396) 4.857 5.234 ( -3.899 0.000 -1.975) 4.371 5.611 ( -3.117 0.000 1.695) 3.549 5.626 ( -2.020 0.000 -0.930) 2.223 5.848 ( 6.402 0.000 4.879) 8.049 5.860 ( -5.314 0.000 -1.824) 5.618 6.033 ( 5.494 0.000 -5.579) 7.830 6.342 ( 1.153 0.000 2.291) 2.565 6.550 ( -22.509 0.000 -0.883) 22.526 7.112 ( -11.800 0.000 2.151) 11.994 7.251 ( 20.736 0.000 -0.674) 20.747 7.600 ( -8.171 0.000 8.078) 11.490 7.616 ( 3.946 0.000 -0.617) 3.993 7.967 ( 1.281 0.000 -5.912) 6.049 8.420 ( -4.542 0.000 2.646) 5.257 8.995 ( -9.005 0.000 9.612) 13.171 9.369 ( 21.110 0.000 -5.770) 21.884 9.711 ( -3.342 0.000 -5.760) 6.659 9.774 ( 0.120 0.000 1.347) 1.352 10.323 ( 6.557 0.000 -1.322) 6.689 11.219 ( -0.786 0.000 -0.278) 0.833 11.419 ( -0.004 0.000 -0.400) 0.400 11.600 ( -5.963 0.000 -3.674) 7.004 11.852 ( 2.290 0.000 -1.245) 2.607 12.394 ( 1.705 0.000 3.191) 3.618 12.428 ( -1.213 0.000 -0.428) 1.287 12.610 ( 2.237 0.000 -0.400) 2.272 12.985 ( -10.228 0.000 9.738) 14.122 13.432 ( -2.207 0.000 -3.844) 4.433 17.753 ( 3.515 0.000 -0.412) 3.539 18.305 ( -4.876 0.000 1.347) 5.059 22.988 ( 1.550 0.000 -3.107) 3.472 23.121 ( 1.764 0.000 -0.124) 1.768 23.622 ( -1.909 0.000 -0.321) 1.936 24.974 ( 24.556 0.000 -19.381) 31.283 25.060 ( -12.104 0.000 2.690) 12.399 26.227 ( -10.119 0.000 18.009) 20.658 ======================= Grid point 165 (74/185) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 14.387 0.000 1.089) 14.429 1.768 ( 7.847 0.000 14.936) 16.872 2.018 ( 4.761 0.000 -0.202) 4.766 2.261 ( -7.057 0.000 -1.635) 7.244 2.428 ( -12.277 0.000 -13.274) 18.081 2.583 ( 1.730 0.000 -3.221) 3.656 2.586 ( -7.907 0.000 0.250) 7.911 3.099 ( 11.492 0.000 -0.298) 11.495 3.208 ( 14.691 0.000 -3.021) 14.998 3.333 ( -4.716 0.000 1.077) 4.838 3.528 ( 0.916 0.000 -4.219) 4.318 3.564 ( 0.461 0.000 2.515) 2.557 3.565 ( 5.763 0.000 7.868) 9.753 3.697 ( 0.118 0.000 -5.893) 5.894 3.919 ( -3.325 0.000 0.885) 3.440 4.152 ( 3.175 0.000 -1.935) 3.718 4.284 ( 4.870 0.000 0.088) 4.871 4.893 ( 0.300 0.000 -2.056) 2.078 5.170 ( -2.724 0.000 0.032) 2.724 5.570 ( -3.178 0.000 0.132) 3.180 5.597 ( -1.281 0.000 3.699) 3.914 5.793 ( -0.642 0.000 -3.441) 3.500 5.945 ( -3.979 0.000 8.218) 9.130 6.053 ( -4.322 0.000 -1.407) 4.545 6.190 ( -7.205 0.000 -7.194) 10.182 6.341 ( -1.828 0.000 0.289) 1.851 6.941 ( -7.122 0.000 -2.930) 7.701 7.451 ( -12.188 0.000 2.197) 12.384 7.606 ( 16.847 0.000 -0.784) 16.865 7.697 ( 8.054 0.000 -0.214) 8.057 7.990 ( 3.839 0.000 -1.423) 4.094 8.367 ( -4.010 0.000 3.520) 5.336 8.839 ( -15.201 0.000 5.682) 16.229 9.640 ( -1.095 0.000 -2.127) 2.393 9.667 ( 16.419 0.000 -3.267) 16.741 9.787 ( 0.334 0.000 1.059) 1.110 10.435 ( 7.380 0.000 -1.633) 7.559 11.205 ( -0.661 0.000 -0.035) 0.662 11.375 ( -9.373 0.000 -4.051) 10.211 11.453 ( -0.943 0.000 -2.686) 2.846 11.899 ( 3.044 0.000 -0.005) 3.044 12.410 ( -0.645 0.000 -0.130) 0.658 12.414 ( -0.959 0.000 2.357) 2.545 12.640 ( 1.581 0.000 -0.713) 1.734 12.957 ( -2.680 0.000 10.967) 11.290 13.377 ( -1.177 0.000 -3.066) 3.284 17.820 ( 4.332 0.000 -0.445) 4.355 18.219 ( -5.771 0.000 1.005) 5.858 22.995 ( 2.413 0.000 -4.663) 5.250 23.151 ( 1.741 0.000 -0.248) 1.758 23.587 ( -1.815 0.000 -0.129) 1.819 24.779 ( -19.576 0.000 1.149) 19.609 25.167 ( 12.978 0.000 -14.297) 19.309 26.337 ( 5.442 0.000 15.591) 16.514 ======================= Grid point 166 (75/185) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 11.049 0.000 3.995) 11.749 1.932 ( -7.906 0.000 12.395) 14.702 2.018 ( -8.591 0.000 -5.504) 10.203 2.089 ( -5.312 0.000 -17.870) 18.643 2.120 ( 1.130 0.000 -3.575) 3.750 2.475 ( -5.555 0.000 2.303) 6.014 2.561 ( 0.332 0.000 -4.876) 4.888 3.225 ( 2.968 0.000 -3.146) 4.325 3.230 ( -4.573 0.000 -0.669) 4.622 3.402 ( 11.418 0.000 -4.241) 12.180 3.541 ( 1.551 0.000 -1.972) 2.509 3.567 ( -10.093 0.000 4.242) 10.948 3.622 ( 2.993 0.000 1.430) 3.317 3.801 ( 10.373 0.000 2.433) 10.654 4.004 ( 9.552 0.000 6.891) 11.778 4.234 ( 8.373 0.000 -5.601) 10.073 4.391 ( 6.042 0.000 3.711) 7.090 4.830 ( -6.266 0.000 -0.893) 6.329 5.118 ( -2.872 0.000 -2.372) 3.725 5.551 ( 0.225 0.000 3.532) 3.540 5.574 ( -5.608 0.000 2.609) 6.186 5.767 ( 0.534 0.000 -3.988) 4.024 5.783 ( -11.646 0.000 4.633) 12.534 5.921 ( -5.114 0.000 -0.751) 5.169 6.255 ( 8.099 0.000 -0.086) 8.100 6.296 ( -2.447 0.000 -1.613) 2.931 6.798 ( -5.139 0.000 -8.900) 10.277 7.260 ( -8.531 0.000 -0.925) 8.581 7.712 ( 2.109 0.000 -0.322) 2.134 7.979 ( 16.862 0.000 -0.769) 16.879 8.061 ( 3.888 0.000 1.837) 4.300 8.332 ( -2.696 0.000 2.742) 3.846 8.565 ( -18.587 0.000 3.139) 18.850 9.635 ( 0.882 0.000 0.472) 1.001 9.803 ( 0.817 0.000 0.804) 1.146 9.895 ( 12.175 0.000 -2.256) 12.383 10.549 ( 5.886 0.000 -0.451) 5.903 11.123 ( -10.255 0.000 -8.504) 13.322 11.198 ( -0.139 0.000 0.109) 0.177 11.476 ( 2.219 0.000 0.518) 2.279 11.944 ( 1.427 0.000 0.853) 1.663 12.404 ( -0.043 0.000 0.062) 0.075 12.414 ( -0.569 0.000 0.930) 1.090 12.654 ( 0.626 0.000 -0.903) 1.099 12.994 ( -4.278 0.000 11.796) 12.547 13.357 ( 1.873 0.000 -2.888) 3.442 17.887 ( 2.866 0.000 -0.182) 2.872 18.132 ( -3.880 0.000 0.528) 3.915 22.998 ( 2.152 0.000 -5.653) 6.049 23.172 ( 0.741 0.000 -0.348) 0.819 23.563 ( -0.626 0.000 0.013) 0.626 24.452 ( -16.784 0.000 -0.234) 16.786 25.244 ( 6.705 0.000 -10.695) 12.623 26.572 ( 7.731 0.000 13.820) 15.836 ======================= Grid point 167 (76/185) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -6.289 0.000 7.820) 10.035 1.579 ( -20.291 0.000 -10.988) 23.075 1.820 ( -3.355 0.000 -8.846) 9.460 2.077 ( -4.260 0.000 7.284) 8.438 2.131 ( 1.869 0.000 -5.934) 6.222 2.445 ( -0.772 0.000 6.060) 6.109 2.539 ( 1.666 0.000 -4.841) 5.120 3.179 ( -4.469 0.000 -2.722) 5.233 3.210 ( 3.546 0.000 -1.217) 3.749 3.417 ( -9.690 0.000 5.705) 11.245 3.532 ( -1.148 0.000 -1.226) 1.680 3.560 ( 10.909 0.000 -8.272) 13.691 3.660 ( 1.191 0.000 -1.435) 1.865 3.969 ( 6.661 0.000 2.000) 6.955 4.237 ( 8.817 0.000 3.188) 9.376 4.314 ( 5.801 0.000 -7.513) 9.492 4.551 ( 6.473 0.000 8.260) 10.494 4.674 ( -11.123 0.000 3.160) 11.564 5.028 ( -2.490 0.000 -7.667) 8.061 5.514 ( 0.138 0.000 2.234) 2.238 5.630 ( 3.641 0.000 6.589) 7.528 5.685 ( -5.624 0.000 5.347) 7.760 5.747 ( 0.464 0.000 -3.992) 4.019 5.854 ( -2.072 0.000 -0.674) 2.178 6.242 ( -1.522 0.000 -2.707) 3.106 6.398 ( 5.355 0.000 4.957) 7.297 6.625 ( -3.948 0.000 -11.995) 12.628 7.162 ( -2.096 0.000 -1.406) 2.524 7.723 ( -0.555 0.000 -0.420) 0.696 8.069 ( -12.940 0.000 -2.301) 13.143 8.154 ( 4.681 0.000 3.095) 5.612 8.308 ( -1.721 0.000 0.700) 1.858 8.398 ( 4.234 0.000 4.463) 6.152 9.666 ( 1.531 0.000 1.151) 1.915 9.832 ( 2.019 0.000 0.303) 2.042 10.079 ( 11.331 0.000 -2.501) 11.604 10.578 ( -3.936 0.000 -0.708) 4.000 10.977 ( 2.616 0.000 -7.188) 7.649 11.203 ( 0.580 0.000 0.124) 0.593 11.513 ( 1.101 0.000 0.664) 1.286 11.955 ( -1.003 0.000 0.825) 1.299 12.396 ( -2.092 0.000 -0.282) 2.111 12.408 ( 0.466 0.000 0.070) 0.471 12.649 ( -0.378 0.000 -0.920) 0.995 12.964 ( -8.482 0.000 10.653) 13.617 13.404 ( 4.974 0.000 -1.500) 5.195 17.880 ( -3.570 0.000 -0.217) 3.577 18.130 ( 3.247 0.000 0.576) 3.298 22.982 ( 0.861 0.000 -5.791) 5.855 23.169 ( -0.768 0.000 -0.346) 0.842 23.568 ( 1.106 0.000 0.009) 1.106 24.215 ( -9.610 0.000 -0.375) 9.617 25.243 ( 1.467 0.000 -8.954) 9.074 26.800 ( 7.076 0.000 12.352) 14.235 ======================= Grid point 168 (77/185) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -19.558 0.000 -4.727) 20.121 1.203 ( -16.763 0.000 12.285) 20.783 1.724 ( -1.534 0.000 -13.107) 13.196 1.950 ( -18.779 0.000 12.185) 22.386 2.121 ( -0.121 0.000 1.177) 1.183 2.537 ( 6.963 0.000 3.091) 7.618 2.557 ( 4.036 0.000 -3.214) 5.159 3.072 ( -5.370 0.000 0.011) 5.370 3.317 ( 7.497 0.000 -0.510) 7.515 3.326 ( -4.864 0.000 3.447) 5.962 3.483 ( -3.260 0.000 -1.196) 3.472 3.599 ( 1.301 0.000 -15.023) 15.079 3.664 ( 1.950 0.000 -2.021) 2.808 4.065 ( 3.196 0.000 -0.093) 3.197 4.292 ( 2.382 0.000 -5.919) 6.380 4.333 ( 0.356 0.000 -5.888) 5.898 4.571 ( -4.459 0.000 7.836) 9.016 4.686 ( -0.046 0.000 5.968) 5.968 4.973 ( 5.199 0.000 -6.544) 8.358 5.613 ( 5.171 0.000 5.654) 7.662 5.654 ( -3.131 0.000 5.612) 6.427 5.710 ( 0.021 0.000 -2.038) 2.039 5.755 ( 3.631 0.000 2.573) 4.450 5.813 ( -0.795 0.000 -1.182) 1.425 6.218 ( 1.014 0.000 -1.227) 1.591 6.450 ( -1.918 0.000 3.164) 3.699 6.614 ( 9.940 0.000 -3.077) 10.405 7.146 ( 0.886 0.000 -0.515) 1.025 7.682 ( -9.786 0.000 -0.964) 9.834 7.708 ( -15.948 0.000 -1.086) 15.985 8.250 ( 0.593 0.000 0.423) 0.728 8.294 ( 3.141 0.000 0.880) 3.262 8.581 ( 8.607 0.000 5.206) 10.059 9.697 ( 1.015 0.000 1.149) 1.533 9.879 ( 3.528 0.000 -0.944) 3.652 10.254 ( 10.953 0.000 -6.055) 12.515 10.439 ( -7.346 0.000 -4.540) 8.636 11.087 ( 11.124 0.000 0.384) 11.131 11.218 ( 1.071 0.000 -0.019) 1.071 11.520 ( -0.640 0.000 0.508) 0.817 11.910 ( -3.896 0.000 -2.265) 4.506 12.331 ( -5.085 0.000 0.347) 5.097 12.420 ( 0.919 0.000 -0.092) 0.924 12.628 ( -1.233 0.000 -0.763) 1.450 12.870 ( -10.294 0.000 9.080) 13.727 13.495 ( 5.922 0.000 -0.008) 5.922 17.797 ( -4.799 0.000 -0.436) 4.819 18.218 ( 5.138 0.000 0.987) 5.232 22.947 ( -0.052 0.000 -4.751) 4.751 23.144 ( -1.647 0.000 -0.247) 1.665 23.597 ( 2.137 0.000 -0.133) 2.141 24.095 ( -5.536 0.000 1.240) 5.673 25.170 ( -2.110 0.000 -7.420) 7.714 27.011 ( 8.034 0.000 8.914) 12.000 ======================= Grid point 169 (78/185) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -13.014 0.000 13.584) 18.811 1.057 ( -12.744 0.000 21.183) 24.721 1.548 ( -4.982 0.000 -16.813) 17.536 1.631 ( -28.303 0.000 17.589) 33.324 2.140 ( -0.514 0.000 4.814) 4.841 2.640 ( 6.790 0.000 -0.054) 6.790 2.722 ( 11.844 0.000 0.989) 11.886 3.017 ( -0.973 0.000 1.032) 1.418 3.246 ( -6.373 0.000 -9.049) 11.068 3.353 ( -4.197 0.000 -1.876) 4.598 3.415 ( -6.581 0.000 -6.803) 9.466 3.436 ( -0.737 0.000 0.477) 0.878 3.748 ( 8.976 0.000 -1.197) 9.056 4.035 ( -4.565 0.000 -6.285) 7.768 4.256 ( 0.168 0.000 -6.526) 6.528 4.373 ( 6.898 0.000 -2.120) 7.217 4.555 ( -3.456 0.000 3.959) 5.255 4.625 ( -4.831 0.000 -5.085) 7.014 5.122 ( 10.395 0.000 2.930) 10.800 5.571 ( -5.712 0.000 -1.406) 5.882 5.681 ( -0.400 0.000 -3.016) 3.043 5.699 ( -0.148 0.000 4.240) 4.243 5.818 ( 2.952 0.000 -1.803) 3.459 5.924 ( 7.824 0.000 5.732) 9.699 6.266 ( 3.312 0.000 2.507) 4.154 6.538 ( 8.865 0.000 13.272) 15.961 6.824 ( 13.645 0.000 1.345) 13.711 7.179 ( 2.016 0.000 1.762) 2.677 7.275 ( -23.118 0.000 -0.931) 23.136 7.636 ( -3.029 0.000 -0.936) 3.171 8.194 ( -3.167 0.000 -3.402) 4.648 8.403 ( 5.322 0.000 1.693) 5.585 8.751 ( 5.356 0.000 7.346) 9.091 9.719 ( 0.465 0.000 1.225) 1.310 9.931 ( 3.615 0.000 -2.863) 4.611 10.263 ( -3.385 0.000 -25.652) 25.874 10.284 ( -6.312 0.000 0.185) 6.315 11.236 ( 1.027 0.000 -0.301) 1.070 11.342 ( 12.901 0.000 4.752) 13.749 11.519 ( 1.175 0.000 1.794) 2.144 11.799 ( -3.746 0.000 -4.449) 5.816 12.264 ( -3.012 0.000 5.307) 6.102 12.439 ( 1.412 0.000 -0.334) 1.451 12.596 ( -1.796 0.000 -0.484) 1.861 12.754 ( -9.378 0.000 8.643) 12.754 13.611 ( 6.979 0.000 0.782) 7.023 17.721 ( -3.235 0.000 -0.359) 3.255 18.308 ( 3.953 0.000 1.219) 4.136 22.927 ( 1.318 0.000 -2.093) 2.474 23.113 ( -1.572 0.000 -0.127) 1.577 23.634 ( 2.071 0.000 -0.321) 2.096 23.985 ( -10.444 0.000 3.696) 11.078 25.095 ( -0.545 0.000 -3.552) 3.594 27.206 ( 9.105 0.000 0.250) 9.108 ======================= Grid point 170 (79/185) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -3.844 0.000 27.137) 27.408 1.064 ( -9.378 0.000 25.011) 26.712 1.325 ( -20.048 0.000 27.718) 34.208 1.346 ( -0.723 0.000 -15.991) 16.007 2.177 ( 0.701 0.000 4.700) 4.752 2.771 ( 6.479 0.000 0.125) 6.480 2.929 ( -8.661 0.000 -20.660) 22.402 2.942 ( 11.799 0.000 -0.171) 11.800 3.082 ( 4.307 0.000 2.882) 5.182 3.229 ( -7.048 0.000 -0.958) 7.113 3.377 ( -0.613 0.000 5.704) 5.737 3.419 ( -1.670 0.000 0.726) 1.821 3.857 ( -9.526 0.000 -3.099) 10.018 3.899 ( 7.579 0.000 -1.310) 7.692 4.191 ( -1.068 0.000 -8.961) 9.024 4.449 ( -0.149 0.000 -1.831) 1.837 4.485 ( -5.076 0.000 -8.351) 9.772 4.547 ( 2.664 0.000 2.713) 3.802 5.307 ( 6.719 0.000 2.522) 7.177 5.505 ( -0.348 0.000 0.122) 0.369 5.665 ( 0.494 0.000 -1.179) 1.279 5.726 ( 1.193 0.000 1.487) 1.907 5.867 ( 6.750 0.000 -3.766) 7.730 5.996 ( -0.872 0.000 -2.200) 2.367 6.330 ( -0.284 0.000 3.054) 3.068 6.910 ( -16.311 0.000 0.032) 16.311 7.021 ( 24.227 0.000 11.043) 26.625 7.101 ( 18.665 0.000 10.468) 21.400 7.219 ( -0.013 0.000 3.534) 3.534 7.581 ( -2.075 0.000 -1.214) 2.404 8.118 ( -0.808 0.000 -4.889) 4.955 8.484 ( 2.709 0.000 0.709) 2.801 8.881 ( 2.343 0.000 9.519) 9.803 9.681 ( -37.443 0.000 -25.347) 45.216 9.734 ( 0.248 0.000 1.326) 1.349 9.952 ( 1.801 0.000 -4.818) 5.144 10.201 ( -3.167 0.000 0.330) 3.184 11.247 ( 0.521 0.000 -0.588) 0.785 11.437 ( -0.451 0.000 -0.272) 0.527 11.602 ( 3.714 0.000 -0.225) 3.721 11.815 ( 5.247 0.000 -1.305) 5.407 12.312 ( 0.104 0.000 4.034) 4.035 12.464 ( 1.763 0.000 -0.664) 1.883 12.561 ( -1.837 0.000 -0.094) 1.839 12.777 ( 7.131 0.000 12.313) 14.229 13.737 ( 6.545 0.000 -2.172) 6.896 17.681 ( -1.137 0.000 -0.123) 1.143 18.369 ( 1.761 0.000 1.330) 2.207 22.977 ( 4.611 0.000 -0.025) 4.611 23.091 ( -0.860 0.000 -0.036) 0.861 23.661 ( 1.217 0.000 -0.473) 1.306 23.829 ( -7.285 0.000 8.393) 11.114 25.110 ( 2.692 0.000 0.438) 2.727 27.244 ( -3.676 0.000 -10.432) 11.061 ======================= Grid point 171 (80/185) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -3.498 5.961 8.950) 11.308 1.139 ( 5.030 -1.404 27.263) 27.759 1.409 ( -4.285 18.887 -2.666) 19.549 1.957 ( 6.270 27.721 23.888) 37.127 2.306 ( 0.420 6.885 2.260) 7.259 2.695 ( 1.405 -1.507 -13.941) 14.093 2.820 ( 1.470 -0.968 -1.329) 2.206 3.076 ( -2.949 -4.122 3.002) 5.891 3.134 ( -3.502 7.065 -1.150) 7.969 3.221 ( 4.418 2.921 0.128) 5.298 3.360 ( 3.562 1.781 -1.596) 4.291 3.538 ( -0.405 5.187 0.538) 5.231 3.731 ( 2.260 -2.047 1.468) 3.385 4.008 ( -0.712 3.079 0.151) 3.164 4.049 ( -0.530 -3.824 -9.955) 10.677 4.301 ( -6.837 -1.861 -0.450) 7.100 4.451 ( -5.304 5.870 -7.556) 10.940 4.639 ( 6.705 -0.412 -0.432) 6.731 5.391 ( 1.783 -1.148 0.773) 2.257 5.486 ( 1.413 -4.665 -1.538) 5.111 5.618 ( 0.216 -4.002 2.459) 4.702 5.796 ( 0.076 1.734 -2.028) 2.669 5.921 ( 0.914 -0.005 -3.623) 3.737 5.983 ( 9.959 -5.968 1.409) 11.696 6.195 ( -8.024 -2.250 2.203) 8.620 6.619 ( 2.067 -12.109 3.021) 12.650 7.138 ( -6.967 -2.285 4.714) 8.717 7.381 ( 4.299 9.973 0.686) 10.882 7.567 ( 6.487 -1.771 0.177) 6.727 7.616 ( 2.269 4.984 -1.810) 5.768 8.085 ( 2.723 -4.367 -6.620) 8.385 8.470 ( 0.319 -3.307 0.201) 3.328 8.868 ( -13.142 -5.251 1.158) 14.199 8.968 ( -0.768 -0.868 10.226) 10.292 9.887 ( -0.761 -0.932 -6.722) 6.829 10.095 ( -2.790 26.026 -8.704) 27.585 10.160 ( 0.529 -2.246 0.409) 2.343 11.265 ( -0.645 1.940 -0.793) 2.193 11.425 ( 0.279 0.639 -0.280) 0.752 11.653 ( 1.526 -0.955 1.461) 2.318 11.817 ( 0.519 -3.379 -1.360) 3.679 12.292 ( -1.125 0.592 0.945) 1.584 12.504 ( 0.221 1.038 0.325) 1.110 12.550 ( 1.705 -0.852 0.804) 2.068 12.972 ( 4.420 -5.046 7.728) 10.233 13.603 ( -3.359 -9.137 -4.327) 10.653 17.688 ( 0.717 1.180 -0.043) 1.382 18.363 ( -0.652 -2.575 1.486) 3.043 23.014 ( -1.019 0.087 -0.539) 1.156 23.359 ( -5.196 19.656 -2.821) 20.526 23.731 ( -1.720 7.328 -1.420) 7.660 24.082 ( 32.474 5.841 -4.581) 33.312 25.146 ( 1.072 -0.981 0.513) 1.541 26.619 ( -24.263 -26.051 5.346) 35.999 ======================= Grid point 172 (81/185) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 5.961 15.646 -1.355) 16.798 1.311 ( 0.680 14.451 16.573) 21.999 1.577 ( 13.547 -4.429 15.463) 21.029 2.249 ( 7.843 16.488 16.504) 24.611 2.310 ( 0.917 2.075 -1.626) 2.791 2.714 ( 8.426 3.484 -9.276) 13.007 2.813 ( 0.342 -0.950 -1.915) 2.165 2.959 ( -8.249 7.868 1.851) 11.549 3.091 ( -2.823 0.545 -0.785) 2.981 3.281 ( 1.907 -2.924 2.140) 4.095 3.427 ( 3.758 1.403 -1.899) 4.438 3.516 ( 0.170 6.966 -1.534) 7.135 3.781 ( 2.594 -2.529 -6.786) 7.693 3.927 ( -7.573 2.260 -1.935) 8.137 3.998 ( 0.275 -1.884 -3.135) 3.668 4.186 ( -5.090 -2.709 -0.242) 5.771 4.316 ( -3.464 4.803 -6.471) 8.772 4.751 ( 6.000 0.064 0.515) 6.023 5.386 ( -1.027 4.995 -2.417) 5.644 5.518 ( 0.548 -9.924 0.957) 9.985 5.626 ( -0.914 -3.110 1.372) 3.519 5.754 ( -0.744 0.115 -0.528) 0.920 5.941 ( -0.983 -1.720 -3.407) 3.941 5.999 ( -1.627 -2.485 -1.412) 3.289 6.218 ( 5.989 -1.542 5.094) 8.012 6.784 ( 12.600 -10.338 0.802) 16.318 6.945 ( -17.261 -0.370 2.798) 17.491 7.377 ( -4.311 7.701 -1.709) 8.990 7.587 ( -0.134 0.150 2.625) 2.633 7.651 ( -0.295 2.897 1.944) 3.501 8.024 ( -1.453 -1.386 -5.503) 5.858 8.446 ( -3.270 -2.989 0.919) 4.525 8.956 ( 16.603 -5.646 -2.521) 17.717 9.011 ( -2.992 -1.593 10.400) 10.939 9.806 ( -2.373 -0.958 -7.027) 7.479 10.009 ( -2.040 20.988 -3.930) 21.450 10.202 ( 3.962 -2.822 -0.191) 4.868 11.241 ( -1.294 0.634 -0.375) 1.489 11.435 ( 0.567 1.776 -0.213) 1.877 11.650 ( -2.651 -2.447 0.328) 3.622 11.816 ( 0.883 -2.477 -1.231) 2.903 12.319 ( 2.804 0.311 1.855) 3.377 12.507 ( 0.021 3.700 -0.025) 3.700 12.574 ( 0.744 -1.019 0.034) 1.262 13.005 ( -6.805 -8.185 7.765) 13.175 13.492 ( -3.703 -3.749 -4.598) 6.994 17.713 ( 2.097 0.949 -0.199) 2.311 18.342 ( -2.937 -2.367 1.490) 4.056 22.960 ( -3.741 -0.960 0.086) 3.864 23.283 ( -1.192 13.751 -1.476) 13.881 23.691 ( -2.382 4.025 -0.556) 4.710 24.636 ( 36.294 6.793 -17.104) 40.693 25.140 ( -3.290 -1.966 1.421) 4.088 26.262 ( -22.352 -18.006 14.693) 32.245 ======================= Grid point 173 (82/185) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 7.405 22.288 -2.202) 23.589 1.542 ( 9.346 6.704 15.934) 19.652 1.900 ( 10.719 0.070 9.479) 14.309 2.297 ( 0.426 -2.138 -2.828) 3.571 2.468 ( 6.357 1.652 3.595) 7.488 2.677 ( -6.703 2.315 -4.120) 8.201 2.821 ( -7.828 8.136 2.868) 11.649 2.934 ( 12.312 2.013 -6.160) 13.913 3.058 ( 2.222 3.244 -1.551) 4.227 3.358 ( 4.298 -0.407 4.578) 6.292 3.437 ( -0.972 -1.589 1.506) 2.396 3.537 ( 3.239 6.408 -4.389) 8.416 3.686 ( -9.069 0.708 -0.637) 9.118 3.795 ( -0.526 2.042 -8.562) 8.818 3.980 ( -1.596 -0.858 -0.522) 1.886 4.122 ( -2.908 -3.467 1.290) 4.705 4.250 ( 1.134 2.850 -5.179) 6.020 4.850 ( 4.368 0.180 0.688) 4.426 5.328 ( -3.026 7.784 -3.246) 8.960 5.483 ( -4.692 -10.246 0.728) 11.292 5.623 ( 0.225 -1.297 1.268) 1.827 5.790 ( 0.499 -5.525 3.336) 6.473 5.853 ( -1.072 -0.806 -0.729) 1.527 6.045 ( 4.762 0.676 -4.062) 6.296 6.321 ( 1.505 -1.789 4.460) 5.036 6.603 ( -20.663 3.118 -0.878) 20.915 6.981 ( 4.377 -8.306 -0.169) 9.390 7.330 ( 6.501 4.525 -3.309) 8.584 7.583 ( -8.165 -1.894 7.094) 10.981 7.654 ( 2.770 3.805 -0.535) 4.737 8.014 ( 4.485 4.636 -4.537) 7.886 8.387 ( -4.448 -3.041 2.373) 5.887 8.980 ( -8.210 -1.571 8.622) 12.009 9.268 ( 19.039 -7.970 -3.740) 20.976 9.714 ( -2.103 0.090 -5.446) 5.839 9.956 ( -1.800 15.823 -1.679) 16.014 10.290 ( 6.418 -3.307 -1.110) 7.305 11.218 ( -1.275 -0.215 0.108) 1.298 11.425 ( -1.551 0.648 -0.210) 1.694 11.568 ( -5.890 -2.808 -2.821) 7.109 11.838 ( 2.491 -1.326 -0.644) 2.895 12.374 ( 0.408 -0.849 1.349) 1.645 12.511 ( 0.382 4.687 0.992) 4.806 12.576 ( -0.166 -3.050 0.467) 3.090 12.935 ( -5.382 -3.087 8.007) 10.129 13.422 ( -1.332 -0.821 -3.493) 3.828 17.758 ( 3.259 0.517 -0.454) 3.331 18.285 ( -4.733 -2.113 1.356) 5.357 22.912 ( -1.369 -3.586 -0.602) 3.885 23.277 ( 1.426 10.511 -1.938) 10.783 23.634 ( -3.584 1.506 -0.358) 3.904 24.978 ( -0.932 -5.745 -9.329) 10.996 25.072 ( 11.527 6.978 -6.752) 15.071 26.133 ( -4.547 -8.643 16.349) 19.044 ======================= Grid point 174 (83/185) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 10.737 19.001 1.260) 21.861 1.811 ( 8.134 4.409 12.505) 15.556 2.077 ( 5.277 5.430 0.677) 7.602 2.257 ( -2.619 -0.860 -4.144) 4.977 2.415 ( -10.399 -1.242 -10.186) 14.610 2.566 ( -0.265 -0.462 -1.704) 1.785 2.687 ( -8.491 8.785 -0.496) 12.228 3.079 ( 8.138 -0.923 0.974) 8.248 3.191 ( 11.498 -1.484 -5.067) 12.652 3.356 ( -7.549 0.314 0.989) 7.620 3.485 ( 1.707 -4.368 2.452) 5.292 3.549 ( 1.466 1.582 -1.641) 2.710 3.643 ( 5.909 6.465 5.881) 10.550 3.763 ( 0.378 5.876 -3.103) 6.656 3.933 ( -1.589 1.468 0.250) 2.178 4.120 ( 3.150 -2.765 -1.302) 4.389 4.277 ( 4.506 -0.163 -1.261) 4.682 4.901 ( 0.947 0.830 -0.365) 1.311 5.238 ( -4.494 5.341 -2.651) 7.467 5.385 ( -6.574 -11.086 0.255) 12.891 5.660 ( 2.027 1.219 2.267) 3.276 5.774 ( -0.225 -2.906 -1.370) 3.221 5.900 ( -1.106 -3.004 7.104) 7.792 6.060 ( -2.282 0.494 -1.790) 2.942 6.254 ( -13.165 4.034 -3.847) 14.296 6.358 ( 0.462 0.890 0.795) 1.279 6.941 ( -3.098 0.927 -4.764) 5.758 7.429 ( -11.662 -2.430 1.786) 12.046 7.547 ( 16.095 -6.128 -2.272) 17.372 7.715 ( 3.264 4.152 0.495) 5.304 8.100 ( 7.310 8.683 -0.895) 11.386 8.335 ( -3.677 -2.771 3.204) 5.609 8.835 ( -14.072 -0.464 5.042) 14.955 9.531 ( 11.063 -7.448 -2.060) 13.495 9.692 ( 5.103 1.528 -1.740) 5.603 9.916 ( -1.704 10.393 -0.784) 10.561 10.405 ( 7.590 -3.005 -1.491) 8.298 11.187 ( -2.877 -2.172 -0.552) 3.647 11.358 ( -7.328 -1.312 -2.256) 7.779 11.440 ( -2.309 -0.582 -2.268) 3.288 11.886 ( 2.744 -1.285 0.152) 3.034 12.341 ( -2.742 -4.459 -1.397) 5.418 12.536 ( 0.491 7.443 2.606) 7.901 12.605 ( 2.640 -2.271 0.936) 3.606 12.945 ( -1.889 -0.758 8.944) 9.172 13.383 ( -0.280 0.733 -2.905) 3.009 17.819 ( 4.065 -0.017 -0.518) 4.097 18.201 ( -5.606 -1.823 1.003) 5.980 22.900 ( 0.776 -5.296 -1.792) 5.644 23.293 ( 2.090 9.316 -2.341) 9.830 23.567 ( -3.574 -1.444 -0.291) 3.865 24.705 ( -18.933 -7.646 0.250) 20.420 25.255 ( 12.911 8.654 -12.528) 19.963 26.296 ( 7.524 -3.878 13.880) 16.257 ======================= Grid point 175 (84/185) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 7.532 13.741 3.943) 16.158 1.974 ( -3.838 4.530 10.620) 12.167 2.007 ( -7.530 0.388 -14.825) 16.632 2.147 ( -4.209 6.172 -3.245) 8.145 2.253 ( 2.433 9.484 -4.402) 10.735 2.529 ( -4.253 3.318 -0.772) 5.449 2.552 ( -2.187 1.934 -3.620) 4.651 3.203 ( 1.970 -1.287 -1.419) 2.748 3.227 ( -2.761 -1.839 -0.501) 3.355 3.328 ( 7.396 -5.808 -2.566) 9.747 3.482 ( -3.890 -2.297 1.482) 4.754 3.577 ( 2.087 -0.824 -2.214) 3.152 3.711 ( -2.810 7.112 1.406) 7.775 3.847 ( 8.460 3.275 5.933) 10.840 4.025 ( 8.924 1.982 4.837) 10.343 4.201 ( 7.595 -2.049 -4.622) 9.124 4.391 ( 7.593 -0.047 3.714) 8.453 4.857 ( -5.808 1.909 -1.656) 6.334 5.133 ( -5.146 1.729 -3.115) 6.259 5.280 ( -4.435 -12.987 0.581) 13.735 5.700 ( 0.874 0.284 0.867) 1.264 5.789 ( 2.445 0.607 -0.337) 2.542 5.820 ( -12.340 2.790 6.660) 14.297 5.965 ( -3.854 4.533 0.229) 5.955 6.128 ( -2.199 -7.338 -3.742) 8.526 6.398 ( 4.889 5.041 -1.318) 7.145 6.850 ( -2.244 5.558 -7.088) 9.283 7.246 ( -8.331 -1.423 -1.113) 8.525 7.757 ( 1.792 4.088 -0.710) 4.519 7.788 ( 11.245 -11.098 0.523) 15.808 8.247 ( 8.350 10.587 0.574) 13.496 8.301 ( -2.832 -2.382 2.491) 4.461 8.583 ( -16.428 1.572 2.738) 16.728 9.608 ( 1.916 -2.846 0.150) 3.434 9.856 ( 5.103 4.761 0.951) 7.043 9.907 ( 7.017 1.617 -1.935) 7.456 10.522 ( 5.999 -2.687 -0.688) 6.609 11.054 ( -8.313 -5.488 -5.944) 11.599 11.248 ( -1.929 3.522 -1.329) 4.230 11.438 ( 0.939 -2.998 1.196) 3.362 11.923 ( 0.853 -2.082 0.783) 2.382 12.286 ( -1.451 -7.028 -3.167) 7.844 12.564 ( 0.204 8.766 3.237) 9.347 12.657 ( 2.306 0.605 0.094) 2.386 12.963 ( -4.806 -2.338 10.037) 11.371 13.378 ( 2.198 2.120 -2.478) 3.933 17.882 ( 2.780 -0.476 -0.319) 2.838 18.117 ( -3.831 -1.565 0.560) 4.176 22.901 ( 0.964 -5.778 -2.620) 6.417 23.309 ( 1.684 9.493 -2.637) 9.996 23.516 ( -1.614 -4.206 -0.194) 4.509 24.389 ( -15.774 -6.351 -0.701) 17.019 25.343 ( 6.696 9.611 -9.467) 15.061 26.538 ( 8.030 -3.344 12.367) 15.119 ======================= Grid point 176 (85/185) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -7.889 8.462 6.375) 13.209 1.668 ( -17.051 8.642 -7.417) 20.504 1.910 ( -1.327 8.427 -8.211) 11.840 2.152 ( 0.694 6.021 3.635) 7.067 2.248 ( -2.421 12.255 -3.878) 13.080 2.490 ( -0.397 4.047 4.799) 6.290 2.533 ( 2.611 -0.195 -3.733) 4.560 3.151 ( -2.645 -1.471 -3.005) 4.265 3.235 ( 2.675 0.981 -0.981) 3.013 3.373 ( -8.123 -3.498 4.126) 9.759 3.428 ( 3.663 -6.906 -1.907) 8.046 3.610 ( 5.107 0.766 -5.068) 7.236 3.702 ( 0.382 5.430 -1.434) 5.629 3.991 ( 4.239 1.477 3.063) 5.434 4.215 ( 5.807 -3.910 -0.332) 7.008 4.299 ( 7.037 0.849 1.378) 7.221 4.575 ( 6.495 1.676 6.799) 9.551 4.681 ( -10.441 -0.450 0.022) 10.451 5.011 ( -4.668 0.259 -5.630) 7.318 5.279 ( 3.691 -11.761 0.936) 12.362 5.689 ( -4.933 0.181 3.867) 6.271 5.726 ( 0.280 1.288 0.490) 1.406 5.820 ( 0.686 0.054 -1.964) 2.081 5.915 ( -3.053 7.984 3.514) 9.242 6.057 ( -2.082 -11.054 -3.217) 11.700 6.510 ( 8.500 5.879 -0.700) 10.359 6.756 ( -2.636 11.938 -5.250) 13.305 7.138 ( -2.824 -2.192 -2.364) 4.286 7.754 ( -1.443 2.457 -0.466) 2.887 7.955 ( 5.309 -8.908 0.448) 10.380 8.154 ( -13.478 0.117 1.151) 13.528 8.333 ( -2.306 2.994 0.830) 3.869 8.489 ( 6.502 6.788 2.907) 9.839 9.639 ( 1.007 -2.677 0.834) 2.979 9.865 ( 0.249 3.101 0.304) 3.126 10.120 ( 14.434 3.951 -2.280) 15.138 10.549 ( -4.020 -2.876 -0.621) 4.982 10.939 ( 3.080 -3.666 -6.095) 7.751 11.230 ( 0.139 2.515 -0.429) 2.556 11.468 ( 0.731 -3.801 1.822) 4.278 11.921 ( -1.926 -3.401 0.667) 3.965 12.239 ( -1.178 -8.264 -3.753) 9.152 12.586 ( -0.568 8.961 2.980) 9.461 12.678 ( 0.317 2.625 -0.831) 2.772 12.923 ( -8.004 -2.844 10.090) 13.189 13.420 ( 4.103 1.713 -1.623) 4.733 17.876 ( -3.256 -0.353 -0.357) 3.295 18.113 ( 2.983 -1.763 0.602) 3.517 22.887 ( -0.302 -5.640 -2.581) 6.209 23.310 ( 0.739 10.194 -2.834) 10.606 23.514 ( 1.471 -5.089 -0.160) 5.300 24.167 ( -8.605 -4.807 -0.615) 9.876 25.347 ( 1.069 9.993 -7.993) 12.841 26.749 ( 6.032 -5.008 10.922) 13.444 ======================= Grid point 177 (86/185) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -15.607 11.506 -0.205) 19.391 1.337 ( -16.556 12.117 7.404) 21.811 1.814 ( -3.750 9.057 -9.948) 13.967 2.114 ( -12.385 14.887 3.713) 19.718 2.185 ( -0.301 6.893 4.774) 8.390 2.535 ( 3.934 0.032 -0.622) 3.983 2.615 ( 6.928 4.777 1.428) 8.535 3.065 ( -3.948 0.328 -1.560) 4.258 3.278 ( -2.438 -2.770 1.021) 3.829 3.345 ( 5.488 -0.093 1.362) 5.655 3.435 ( -0.991 -4.132 -0.818) 4.327 3.610 ( 0.327 -0.707 -12.681) 12.705 3.691 ( 0.126 5.341 -2.085) 5.735 4.051 ( 0.865 -1.937 1.068) 2.375 4.240 ( 2.620 -4.457 -3.791) 6.411 4.381 ( -1.581 5.432 -4.706) 7.359 4.503 ( -4.971 -4.857 7.541) 10.255 4.787 ( 3.903 6.530 8.195) 11.182 4.912 ( 1.609 -4.876 -5.626) 7.617 5.392 ( 6.810 -11.122 2.390) 13.259 5.661 ( -1.691 -0.600 2.112) 2.771 5.721 ( -2.710 -2.550 -1.130) 3.889 5.775 ( -0.032 -0.569 -4.734) 4.768 5.921 ( -0.294 5.261 5.385) 7.534 6.051 ( 2.817 -7.975 -0.281) 8.463 6.676 ( 11.260 6.170 -4.139) 13.490 6.713 ( 0.190 17.562 4.038) 18.021 7.091 ( -1.085 -4.761 -2.037) 5.291 7.679 ( -9.950 -0.577 -1.458) 10.073 7.784 ( -12.087 7.654 -0.969) 14.339 8.163 ( 5.260 -8.429 3.300) 10.470 8.297 ( -1.150 1.709 -0.897) 2.246 8.646 ( 6.947 4.966 3.960) 9.413 9.643 ( -1.528 -4.941 0.538) 5.200 9.888 ( 2.381 0.843 -0.842) 2.663 10.348 ( 12.015 7.907 -4.848) 15.179 10.417 ( -4.905 -2.032 -5.443) 7.603 11.054 ( 10.953 -3.070 0.203) 11.376 11.240 ( 1.192 1.923 0.092) 2.265 11.487 ( 0.086 -2.715 1.935) 3.335 11.861 ( -4.418 -4.457 -1.471) 6.445 12.186 ( -2.234 -8.227 -2.226) 8.811 12.581 ( -2.050 8.523 1.530) 8.898 12.656 ( -2.323 1.813 -0.140) 2.950 12.849 ( -8.158 -0.179 9.077) 12.206 13.488 ( 4.568 -0.354 -0.966) 4.682 17.798 ( -4.436 0.204 -0.529) 4.472 18.195 ( 4.891 -2.244 0.994) 5.473 22.863 ( -0.204 -4.455 -1.391) 4.671 23.300 ( 0.910 11.375 -3.068) 11.816 23.554 ( 2.788 -4.176 0.017) 5.021 24.071 ( -3.331 -2.533 1.106) 4.328 25.267 ( -3.297 9.326 -7.084) 12.167 26.913 ( 4.521 -9.438 7.781) 13.041 ======================= Grid point 178 (87/185) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -14.618 13.467 4.650) 20.412 1.184 ( -15.040 8.916 17.569) 24.786 1.650 ( -4.795 13.081 -8.068) 16.100 1.891 ( -17.547 21.852 10.060) 29.776 2.217 ( -0.242 7.368 5.465) 9.177 2.630 ( 6.821 -0.522 0.229) 6.844 2.774 ( 9.251 2.884 1.739) 9.845 3.018 ( -0.069 1.476 -1.511) 2.113 3.236 ( -3.531 -0.724 -5.530) 6.601 3.300 ( -5.541 -2.657 -5.311) 8.122 3.439 ( -3.715 1.309 -2.433) 4.629 3.504 ( -0.201 4.425 -1.014) 4.544 3.716 ( 4.842 -1.011 -0.906) 5.028 4.021 ( -3.320 -2.216 -2.393) 4.654 4.231 ( -1.458 -2.305 -6.175) 6.751 4.362 ( 5.668 0.058 -1.359) 5.829 4.493 ( -2.719 -2.846 3.073) 4.993 4.734 ( -4.451 7.810 -6.069) 10.846 5.089 ( 10.422 -4.581 7.760) 13.778 5.517 ( 3.015 -9.671 4.213) 10.971 5.596 ( -4.472 -0.172 -2.013) 4.907 5.694 ( 3.392 -7.747 -3.035) 8.986 5.775 ( 1.734 3.871 -2.001) 4.690 5.968 ( 0.949 1.004 3.831) 4.073 6.118 ( 3.189 -8.372 2.832) 9.396 6.781 ( 6.486 12.799 2.722) 14.605 6.903 ( 11.322 7.371 5.099) 14.440 7.040 ( -4.028 -6.552 -0.757) 7.728 7.422 ( -10.511 9.065 -1.208) 13.932 7.680 ( -3.417 4.718 -0.639) 5.860 8.182 ( -2.880 -1.691 -2.478) 4.158 8.346 ( 5.343 -4.301 1.527) 7.027 8.782 ( 4.220 2.484 6.256) 7.944 9.569 ( -7.962 -11.330 -1.030) 13.886 9.923 ( 2.755 -0.684 -2.921) 4.074 10.265 ( -6.419 -1.836 -0.820) 6.727 10.451 ( 5.390 13.634 -21.147) 25.733 11.236 ( 3.703 -0.479 0.217) 3.740 11.327 ( 9.785 -1.278 3.427) 10.446 11.522 ( 3.151 0.598 2.666) 4.171 11.771 ( -2.306 -2.244 -2.175) 3.884 12.149 ( -0.882 -7.814 3.527) 8.618 12.540 ( -2.969 4.397 0.131) 5.307 12.595 ( -5.347 -0.109 2.106) 5.748 12.791 ( -4.536 5.503 6.793) 9.849 13.564 ( 4.672 -3.719 -0.635) 6.005 17.728 ( -2.955 0.754 -0.420) 3.078 18.283 ( 3.815 -2.588 1.267) 4.781 22.884 ( 3.492 -1.377 0.472) 3.783 23.309 ( 3.684 14.771 -3.784) 15.686 23.604 ( 2.276 -3.122 1.225) 4.053 24.016 ( -6.092 2.673 2.325) 7.047 25.156 ( -3.091 6.287 -4.524) 8.340 27.009 ( 1.328 -18.030 1.787) 18.167 ======================= Grid point 179 (88/185) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -4.233 4.541 18.248) 19.275 1.013 ( -16.829 3.525 16.161) 23.597 1.557 ( -2.690 17.492 -10.342) 20.498 1.750 ( -7.831 31.461 25.422) 41.200 2.262 ( 1.132 8.030 4.317) 9.187 2.752 ( 5.738 -2.296 -0.583) 6.208 2.872 ( -3.644 -2.332 -11.548) 12.332 2.989 ( 4.619 -2.185 -0.731) 5.162 3.133 ( 4.083 7.813 -1.333) 8.916 3.242 ( -4.294 3.690 0.026) 5.662 3.351 ( -2.095 0.646 -1.203) 2.501 3.511 ( -0.577 5.072 4.383) 6.728 3.753 ( -1.920 -5.339 -1.323) 5.826 3.982 ( 1.684 3.511 -0.077) 3.894 4.143 ( -1.505 -3.908 -9.449) 10.336 4.401 ( -3.440 -1.566 -0.108) 3.781 4.521 ( 5.908 -1.528 0.732) 6.146 4.600 ( -4.491 7.190 -8.408) 11.940 5.298 ( 6.581 -3.752 5.260) 9.222 5.508 ( -1.735 -0.098 -2.379) 2.946 5.582 ( 0.853 -6.484 3.326) 7.337 5.762 ( 4.819 -2.770 -2.244) 5.994 5.818 ( 6.218 0.140 -1.801) 6.475 5.973 ( -1.922 -1.332 -1.134) 2.599 6.209 ( 2.542 -8.550 5.634) 10.550 6.726 ( -12.955 -10.069 1.387) 16.467 7.102 ( 6.839 0.710 3.771) 7.842 7.196 ( 16.615 7.496 6.224) 19.261 7.369 ( 4.650 12.673 0.398) 13.505 7.628 ( -1.458 4.599 -1.324) 5.003 8.103 ( -1.803 -1.392 -4.540) 5.080 8.435 ( 3.311 -4.413 0.799) 5.575 8.889 ( 1.658 0.534 8.598) 8.772 9.284 ( -23.114 -16.685 -4.159) 28.809 9.929 ( 1.200 -1.372 -5.221) 5.530 10.177 ( -2.929 -0.572 -0.537) 3.032 10.267 ( -5.010 24.642 -18.343) 31.126 11.267 ( 1.016 1.964 -0.553) 2.279 11.426 ( 0.800 -1.023 -0.015) 1.299 11.600 ( 3.246 -0.116 -0.389) 3.272 11.797 ( 3.280 -1.691 -0.725) 3.760 12.259 ( 5.981 -4.036 5.529) 9.090 12.492 ( -2.364 -5.037 3.008) 6.325 12.533 ( -1.847 2.715 0.853) 3.393 12.819 ( 2.795 5.407 7.302) 9.506 13.629 ( 2.921 -8.211 -1.941) 8.929 17.691 ( -1.002 1.115 -0.157) 1.507 18.342 ( 1.746 -2.679 1.417) 3.497 22.978 ( 5.194 0.419 0.098) 5.212 23.390 ( 8.440 22.524 -7.156) 25.095 23.672 ( 6.021 0.570 3.104) 6.798 23.875 ( -9.845 6.237 3.476) 12.162 25.120 ( 0.949 1.362 -0.617) 1.771 26.936 ( -10.584 -27.048 -2.489) 29.151 ======================= Grid point 180 (89/185) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 3.427 14.138 7.536) 16.383 1.242 ( 1.141 14.394 11.955) 18.745 1.821 ( -3.549 20.306 -4.623) 21.126 2.447 ( -1.898 11.933 3.071) 12.467 2.489 ( -2.531 17.525 9.373) 20.034 2.628 ( 4.762 -4.779 -6.196) 9.160 2.829 ( 2.462 3.579 -0.568) 4.381 2.989 ( -0.091 -1.730 4.512) 4.833 3.207 ( -1.772 2.292 -0.076) 2.898 3.346 ( -0.709 1.047 -2.172) 2.513 3.494 ( -0.803 13.193 -1.866) 13.349 3.643 ( 3.723 8.106 -0.504) 8.935 3.725 ( 3.422 1.547 1.822) 4.174 3.930 ( 1.553 -6.915 -7.274) 10.155 4.086 ( -2.939 3.834 1.140) 4.963 4.270 ( -9.597 -1.080 1.863) 9.835 4.552 ( -3.338 3.871 -6.685) 8.415 4.648 ( 6.808 1.233 -3.977) 7.981 5.295 ( -0.546 -5.443 8.667) 10.248 5.403 ( 1.340 -4.807 -2.943) 5.793 5.504 ( 1.943 -7.533 3.126) 8.384 5.752 ( 5.025 -9.489 -0.357) 10.744 5.833 ( -2.454 -5.254 1.726) 6.050 5.973 ( 1.366 3.536 -2.786) 4.705 6.177 ( 1.061 -0.185 2.568) 2.785 6.427 ( 1.233 -7.313 2.322) 7.771 7.066 ( -4.803 -4.370 -1.647) 6.699 7.486 ( 5.600 -2.694 1.363) 6.363 7.622 ( -1.062 10.564 -1.205) 10.685 7.772 ( 3.240 10.048 -2.571) 10.866 7.998 ( -0.827 -3.995 -5.302) 6.690 8.403 ( 1.957 -3.101 -0.707) 3.735 8.749 ( -6.988 -7.061 1.188) 10.005 8.935 ( -1.149 -2.761 7.893) 8.441 9.852 ( -0.769 -1.953 -6.102) 6.453 10.098 ( -0.126 -4.013 -0.127) 4.017 10.580 ( -0.752 22.064 -12.633) 25.436 11.318 ( -2.110 3.504 -1.183) 4.258 11.446 ( 2.013 1.601 0.828) 2.702 11.630 ( -0.103 -1.393 1.965) 2.410 11.739 ( -0.079 -4.322 0.834) 4.403 12.294 ( -3.082 -5.999 3.593) 7.642 12.358 ( 5.445 -7.862 4.306) 10.488 12.573 ( -0.435 1.690 0.486) 1.812 12.978 ( -0.466 5.470 0.767) 5.543 13.475 ( -0.738 -4.079 -3.920) 5.705 17.727 ( 0.603 2.897 -0.079) 2.960 18.291 ( -0.483 -4.838 1.655) 5.136 23.024 ( -1.242 1.182 -0.332) 1.746 23.552 ( -6.085 1.075 5.403) 8.208 23.930 ( -4.563 10.418 -1.338) 11.452 24.299 ( 34.014 14.463 -15.108) 39.930 25.133 ( -0.334 0.148 -0.694) 0.784 26.078 ( -20.055 -26.840 7.708) 34.380 ======================= Grid point 181 (90/185) ======================= q-point: ( 0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 11.385 17.917 2.135) 21.335 1.468 ( 8.805 3.233 19.237) 21.402 1.760 ( 0.952 19.667 -0.583) 19.698 2.337 ( -3.610 1.572 -5.233) 6.549 2.534 ( -0.672 8.734 1.492) 8.885 2.756 ( 10.457 -0.429 -1.760) 10.613 2.823 ( -2.556 2.642 -2.828) 4.638 3.008 ( -2.220 -1.792 4.962) 5.724 3.163 ( -2.846 5.866 -0.200) 6.522 3.340 ( 1.744 6.967 2.599) 7.638 3.455 ( -2.965 3.422 -0.640) 4.573 3.698 ( 4.310 12.014 -4.398) 13.500 3.781 ( 2.233 2.766 -2.116) 4.138 3.925 ( -1.044 -3.090 -2.178) 3.922 3.994 ( -6.549 2.948 2.017) 7.460 4.126 ( -7.358 -2.959 2.363) 8.275 4.415 ( -3.569 4.757 -9.095) 10.867 4.769 ( 7.230 2.025 -0.424) 7.520 5.310 ( -2.973 -10.668 3.314) 11.560 5.444 ( 2.571 0.280 2.518) 3.609 5.544 ( 1.239 -4.893 1.258) 5.202 5.744 ( -2.726 -0.885 -2.050) 3.524 5.815 ( -2.267 -10.674 1.945) 11.084 5.996 ( 3.892 1.992 -2.791) 5.187 6.211 ( 1.426 0.355 5.123) 5.330 6.592 ( 11.559 -9.245 1.317) 14.860 6.905 ( -10.073 -3.132 -3.688) 11.174 7.493 ( -4.019 -1.092 -1.742) 4.514 7.606 ( -1.810 6.802 2.248) 7.389 7.746 ( -2.371 5.416 -1.205) 6.033 8.015 ( 6.685 1.692 -4.541) 8.257 8.388 ( -2.740 -2.257 0.095) 3.551 8.828 ( 12.986 -7.551 -1.337) 15.081 8.962 ( -2.806 -3.625 8.197) 9.392 9.783 ( -1.594 -1.161 -6.239) 6.544 10.123 ( 3.145 -5.016 -0.307) 5.928 10.451 ( -4.741 22.665 -8.386) 24.627 11.259 ( -3.226 1.261 0.143) 3.466 11.484 ( 0.405 3.087 0.413) 3.141 11.596 ( -4.534 -2.825 1.523) 5.555 11.763 ( 1.845 -2.771 0.631) 3.389 12.316 ( 2.375 -3.850 3.251) 5.570 12.406 ( -2.576 -10.268 2.153) 10.803 12.591 ( 1.867 1.832 1.042) 2.816 12.959 ( -1.854 4.349 0.791) 4.793 13.435 ( -0.399 -2.065 -3.554) 4.130 17.745 ( 1.556 2.512 -0.221) 2.963 18.276 ( -2.594 -4.484 1.577) 5.415 22.963 ( -5.071 1.256 0.494) 5.248 23.472 ( -5.339 3.874 2.399) 7.019 23.823 ( -5.436 9.629 -2.094) 11.255 24.761 ( 26.969 2.642 -16.749) 31.856 25.116 ( -0.559 1.529 0.237) 1.645 25.878 ( -9.121 -18.916 11.868) 24.122 ======================= Grid point 182 (91/185) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 8.005 20.017 0.992) 21.581 1.712 ( 6.880 8.660 11.185) 15.729 1.936 ( 13.895 6.104 7.615) 16.979 2.273 ( 0.397 -0.049 -5.239) 5.254 2.480 ( -2.389 -0.936 -7.827) 8.237 2.713 ( -6.363 1.107 -3.111) 7.169 2.900 ( 1.966 -2.010 2.837) 3.994 3.010 ( 3.001 3.546 -0.832) 4.720 3.122 ( -1.100 4.259 0.212) 4.404 3.380 ( -2.635 1.127 0.987) 3.031 3.416 ( -0.439 1.905 1.968) 2.774 3.717 ( 2.576 9.705 -5.530) 11.463 3.742 ( -8.872 5.206 3.710) 10.935 3.856 ( 3.280 6.600 -1.826) 7.593 3.979 ( 0.368 1.421 0.178) 1.478 4.057 ( -3.263 -2.678 3.348) 5.387 4.315 ( -0.312 3.585 -7.954) 8.730 4.876 ( 4.436 2.694 0.770) 5.247 5.245 ( -5.348 -11.652 -0.170) 12.822 5.479 ( -1.385 3.341 1.014) 3.757 5.589 ( 2.835 -1.007 1.037) 3.182 5.682 ( -2.621 -4.640 0.024) 5.329 5.813 ( 1.212 -3.710 2.629) 4.706 6.046 ( 3.090 -0.679 -2.076) 3.784 6.289 ( 2.395 -1.206 5.274) 5.916 6.565 ( -15.404 -6.918 -1.723) 16.974 6.890 ( 11.239 -1.544 -3.267) 11.806 7.407 ( -1.565 2.449 -3.590) 4.619 7.517 ( -8.783 -3.434 1.379) 9.531 7.763 ( 3.388 7.034 0.534) 7.826 8.122 ( 7.867 5.756 -2.485) 10.060 8.335 ( -3.229 -1.078 1.265) 3.631 8.933 ( -5.897 -3.339 6.041) 9.078 9.103 ( 17.261 -9.051 -2.170) 19.610 9.719 ( -0.508 0.592 -4.407) 4.475 10.193 ( 4.071 -5.185 -1.015) 6.669 10.307 ( -4.825 18.006 -4.359) 19.144 11.210 ( -3.360 -0.657 0.784) 3.512 11.429 ( -6.270 -0.975 0.779) 6.393 11.531 ( -3.151 0.336 -1.336) 3.439 11.807 ( 2.671 -1.806 0.294) 3.238 12.325 ( -6.461 -9.692 0.078) 11.649 12.405 ( 4.271 -3.665 3.791) 6.786 12.646 ( 2.848 3.166 1.516) 4.520 12.950 ( -0.205 5.374 2.318) 5.856 13.411 ( 0.395 -0.161 -2.731) 2.765 17.778 ( 2.458 1.701 -0.476) 3.027 18.226 ( -4.262 -3.971 1.336) 5.976 22.882 ( -4.015 0.483 0.617) 4.090 23.415 ( -2.318 2.220 0.201) 3.216 23.708 ( -5.917 6.726 -1.815) 9.140 24.781 ( -11.816 -13.755 -2.780) 18.345 25.268 ( 18.313 11.654 -10.702) 24.201 25.955 ( 6.778 -8.448 11.134) 15.533 ======================= Grid point 183 (92/185) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 5.765 19.781 2.291) 20.731 1.923 ( 8.814 6.377 5.501) 12.191 2.198 ( 6.900 6.736 1.100) 9.706 2.243 ( 1.680 0.449 -5.586) 5.850 2.368 ( -2.443 -2.865 -4.839) 6.132 2.586 ( -5.233 1.634 -1.994) 5.833 2.848 ( -7.140 5.206 1.067) 8.900 3.079 ( 3.377 0.444 0.880) 3.518 3.136 ( 2.074 -4.483 -2.502) 5.538 3.334 ( -6.061 -3.021 2.490) 7.215 3.390 ( 1.020 -2.848 1.355) 3.315 3.636 ( -3.503 6.568 0.589) 7.467 3.770 ( 4.427 6.171 0.013) 7.595 3.927 ( -0.298 9.827 -0.154) 9.832 3.986 ( 3.069 5.069 0.622) 5.958 4.074 ( 4.667 -1.037 1.308) 4.957 4.298 ( 3.554 2.444 -3.441) 5.518 4.928 ( 0.845 2.128 0.893) 2.458 5.135 ( -6.510 -9.823 -1.117) 11.837 5.400 ( -5.336 6.575 -4.056) 9.389 5.651 ( 2.879 -2.351 0.782) 3.798 5.666 ( -0.366 -6.821 2.606) 7.310 5.885 ( 2.323 0.436 4.923) 5.461 6.057 ( -0.596 -1.487 -0.751) 1.769 6.239 ( -15.054 -4.623 -6.266) 16.949 6.380 ( 1.907 1.336 5.594) 6.059 7.001 ( 4.380 4.087 -5.874) 8.390 7.353 ( -10.013 -5.550 2.574) 11.734 7.440 ( 7.889 -3.262 -4.289) 9.554 7.822 ( 2.183 5.399 0.274) 5.830 8.242 ( 5.776 3.922 0.514) 7.000 8.318 ( 1.657 3.987 0.696) 4.373 8.820 ( -10.920 -1.057 3.465) 11.505 9.375 ( 13.860 -8.865 -1.658) 16.536 9.728 ( 5.150 2.219 -1.257) 5.747 10.131 ( -6.650 9.747 -1.582) 11.905 10.337 ( 7.309 -2.293 -1.588) 7.823 11.113 ( -8.290 -5.344 -1.263) 9.944 11.344 ( -3.184 0.224 1.322) 3.455 11.454 ( -3.777 2.118 -1.791) 4.686 11.851 ( 1.767 -2.301 0.363) 2.924 12.215 ( -4.630 -8.744 -2.070) 10.109 12.510 ( 3.925 -3.355 4.076) 6.579 12.702 ( 2.145 3.891 1.414) 4.663 12.974 ( -0.528 5.563 4.403) 7.114 13.409 ( 1.469 1.860 -2.035) 3.124 17.824 ( 3.208 0.654 -0.616) 3.332 18.151 ( -5.051 -3.335 0.945) 6.126 22.839 ( -1.262 -0.860 -0.018) 1.527 23.386 ( -0.927 -1.411 -0.550) 1.775 23.597 ( -4.708 5.892 -2.141) 7.840 24.499 ( -16.755 -13.087 -0.713) 21.272 25.468 ( 12.774 12.479 -9.442) 20.200 26.208 ( 11.317 -4.770 9.501) 15.527 ======================= Grid point 184 (93/185) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.978 15.576 3.696) 16.038 2.030 ( 2.348 2.510 -12.341) 12.810 2.119 ( -5.851 9.229 6.691) 12.813 2.271 ( 0.561 5.921 -3.295) 6.799 2.414 ( 5.147 6.680 2.102) 8.691 2.515 ( -0.355 -0.923 -2.671) 2.849 2.715 ( -6.142 9.429 -2.827) 11.603 3.111 ( -1.252 -9.227 -2.472) 9.634 3.159 ( 3.575 -4.178 1.774) 5.778 3.270 ( -1.547 -0.385 1.345) 2.086 3.451 ( 1.898 -1.532 -0.274) 2.455 3.605 ( -0.769 4.958 0.504) 5.042 3.813 ( -1.778 2.265 3.102) 4.232 3.910 ( 1.588 3.919 4.456) 6.143 4.063 ( 4.149 2.086 -0.971) 4.744 4.216 ( 8.267 3.917 -0.421) 9.157 4.394 ( 7.742 0.792 2.223) 8.094 4.906 ( -5.018 4.261 -1.968) 6.871 5.022 ( -3.322 -8.875 0.115) 9.477 5.267 ( -5.415 6.928 -4.498) 9.877 5.662 ( -0.504 -3.746 0.578) 3.824 5.715 ( 0.844 -7.200 3.021) 7.853 5.905 ( -6.211 6.283 1.868) 9.030 5.963 ( -6.407 -8.858 -5.765) 12.359 6.042 ( -1.643 0.868 1.535) 2.411 6.473 ( 5.494 2.501 1.693) 6.270 6.998 ( 1.917 8.267 -6.936) 10.960 7.209 ( -7.325 -1.928 0.882) 7.625 7.590 ( 9.770 -9.130 -0.108) 13.372 7.827 ( -1.552 1.487 -0.396) 2.185 8.297 ( 0.471 3.570 1.440) 3.878 8.424 ( 7.378 7.550 -0.171) 10.558 8.620 ( -12.460 2.341 1.622) 12.781 9.525 ( 4.564 -5.826 -0.174) 7.403 9.903 ( 13.832 0.871 -0.772) 13.881 10.017 ( -4.715 8.184 0.594) 9.463 10.455 ( 6.356 -3.914 -1.406) 7.596 10.931 ( -8.424 -7.014 -3.671) 11.560 11.316 ( -1.487 3.386 -0.391) 3.718 11.400 ( -1.536 -0.268 1.302) 2.031 11.867 ( -0.530 -3.604 0.560) 3.686 12.137 ( -1.863 -8.219 -3.794) 9.242 12.595 ( 2.040 -2.714 4.256) 5.444 12.734 ( 0.154 1.757 0.845) 1.956 12.987 ( -2.293 7.416 5.763) 9.668 13.431 ( 2.382 3.073 -1.461) 4.153 17.873 ( 2.402 -0.298 -0.573) 2.487 18.075 ( -3.580 -2.728 0.576) 4.538 22.827 ( -0.164 -1.635 -0.554) 1.734 23.374 ( 0.126 -5.371 -0.404) 5.388 23.521 ( -1.605 7.185 -2.841) 7.891 24.224 ( -12.872 -10.151 -1.421) 16.455 25.576 ( 6.480 13.484 -7.093) 16.556 26.454 ( 8.395 -5.163 8.674) 13.129 ======================= Grid point 185 (94/185) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -8.839 12.273 5.626) 16.137 1.884 ( -9.788 13.268 -3.907) 16.944 2.097 ( 0.901 9.765 -5.733) 11.359 2.272 ( 0.255 6.071 0.529) 6.099 2.471 ( 1.069 3.582 -0.187) 3.743 2.563 ( 6.019 5.128 -1.698) 8.087 2.617 ( -2.856 11.276 -0.058) 11.632 3.078 ( -0.146 -8.156 -2.534) 8.542 3.228 ( 4.151 -2.090 -0.468) 4.671 3.288 ( 0.771 -2.453 -0.118) 2.574 3.398 ( -4.792 3.484 0.251) 5.930 3.613 ( 1.976 1.646 -2.241) 3.411 3.828 ( 1.418 5.262 0.106) 5.451 3.995 ( 0.623 -1.930 6.905) 7.197 4.116 ( 2.107 -4.495 0.460) 4.985 4.333 ( 4.425 2.232 5.237) 7.210 4.550 ( 5.851 -4.114 2.469) 7.567 4.725 ( -10.301 7.243 -3.100) 12.968 5.032 ( 2.268 -1.174 -2.648) 3.679 5.180 ( -0.206 3.361 -1.307) 3.612 5.632 ( -3.245 -6.153 -1.705) 7.162 5.706 ( -4.156 -8.401 2.158) 9.618 5.778 ( -1.545 1.013 -3.286) 3.769 5.913 ( 0.244 -2.697 -1.618) 3.154 6.024 ( -2.921 2.286 3.165) 4.876 6.605 ( 8.473 2.918 0.789) 8.996 6.978 ( 1.331 7.661 -6.282) 9.996 7.117 ( -3.689 2.879 0.797) 4.747 7.759 ( 0.466 -5.363 2.731) 6.037 7.778 ( 4.816 -6.429 -2.004) 8.280 8.236 ( -10.376 9.443 -0.089) 14.030 8.404 ( -4.450 4.061 0.609) 6.055 8.608 ( 6.856 4.991 1.055) 8.545 9.565 ( 0.034 -5.125 0.489) 5.148 9.931 ( -2.519 3.342 0.034) 4.185 10.205 ( 17.898 3.829 -1.598) 18.372 10.480 ( -3.843 -3.682 -0.857) 5.391 10.847 ( 3.898 -5.693 -3.899) 7.926 11.286 ( -0.827 3.058 -0.902) 3.293 11.409 ( 0.110 -1.605 3.000) 3.404 11.838 ( -3.093 -4.662 0.279) 5.602 12.088 ( -0.435 -7.156 -4.261) 8.340 12.643 ( -0.491 -2.141 4.891) 5.362 12.714 ( -2.905 -1.108 0.252) 3.119 12.983 ( -2.926 10.281 5.617) 12.075 13.465 ( 2.424 2.593 -1.238) 3.759 17.870 ( -2.433 -0.185 -0.626) 2.519 18.066 ( 2.267 -2.975 0.619) 3.791 22.818 ( -0.414 -1.346 -0.376) 1.458 23.392 ( 2.089 -7.216 -0.123) 7.513 23.498 ( 1.437 8.655 -3.397) 9.408 24.046 ( -5.830 -7.168 -1.212) 9.318 25.585 ( 0.051 13.707 -5.977) 14.953 26.622 ( 3.699 -7.836 7.419) 11.407 ======================= Grid point 186 (95/185) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -11.800 13.719 9.139) 20.273 1.648 ( -13.355 20.122 -2.980) 24.334 2.033 ( -2.435 12.198 -7.056) 14.300 2.282 ( 0.942 5.494 -0.709) 5.619 2.483 ( -1.791 11.770 4.237) 12.637 2.582 ( 1.234 10.861 -1.161) 10.993 2.679 ( 4.631 1.249 2.133) 5.249 3.064 ( 0.869 -4.369 -3.011) 5.377 3.231 ( -2.462 1.072 -1.021) 2.873 3.304 ( 2.800 -2.862 -2.105) 4.524 3.408 ( 3.057 1.083 4.316) 5.398 3.602 ( -0.414 1.659 -6.819) 7.030 3.845 ( 1.320 8.360 -2.303) 8.771 3.992 ( -4.174 -2.907 2.351) 5.603 4.145 ( 1.399 -6.013 0.747) 6.219 4.425 ( -4.595 -2.842 6.935) 8.791 4.525 ( -1.835 8.469 -1.722) 8.834 4.699 ( 5.745 -8.495 2.823) 10.637 5.012 ( -1.204 9.433 -1.660) 9.654 5.247 ( 6.716 -4.165 -1.611) 8.065 5.554 ( -2.111 -9.154 -3.144) 9.907 5.631 ( -5.455 -6.294 1.513) 8.465 5.795 ( 3.620 1.434 -0.348) 3.909 5.925 ( 2.141 -2.916 -1.694) 3.994 5.992 ( -3.334 -0.045 3.815) 5.066 6.773 ( 8.262 -0.209 2.460) 8.623 6.936 ( -0.358 3.388 -6.930) 7.722 7.101 ( 0.876 10.406 1.879) 10.611 7.656 ( -5.943 -1.751 -2.755) 6.780 7.942 ( 6.287 -2.812 -0.783) 6.932 8.026 ( -9.593 6.057 3.267) 11.806 8.357 ( -2.124 4.499 -0.916) 5.059 8.728 ( 5.064 3.016 2.229) 6.301 9.523 ( -5.509 -7.578 -0.180) 9.370 9.909 ( 0.088 1.376 -0.726) 1.558 10.344 ( -7.204 -4.706 -1.570) 8.747 10.505 ( 17.258 6.391 -7.545) 19.890 10.978 ( 11.326 -4.625 -0.060) 12.234 11.280 ( 0.552 1.971 0.034) 2.047 11.448 ( 1.695 -1.091 3.971) 4.454 11.775 ( -3.473 -3.375 -0.086) 4.844 12.049 ( -1.012 -5.902 -3.343) 6.858 12.626 ( -6.934 -4.308 3.928) 9.060 12.662 ( -1.862 0.772 1.761) 2.676 12.971 ( -2.432 11.366 4.181) 12.352 13.493 ( 1.978 0.827 -1.648) 2.704 17.808 ( -3.402 0.879 -0.669) 3.577 18.135 ( 4.159 -3.907 0.971) 5.788 22.822 ( 1.438 0.240 0.605) 1.578 23.437 ( 2.925 -5.756 0.127) 6.457 23.520 ( 4.001 8.842 -3.353) 10.268 24.004 ( 1.130 -4.096 0.150) 4.251 25.491 ( -5.534 12.946 -5.725) 15.198 26.687 ( -1.801 -13.026 4.918) 14.040 ======================= Grid point 187 (96/185) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -14.973 17.402 2.951) 23.145 1.412 ( -13.051 19.313 3.845) 23.624 1.952 ( -0.387 15.811 -5.778) 16.838 2.299 ( 0.088 11.946 3.342) 12.405 2.457 ( -6.486 21.869 10.247) 25.007 2.631 ( 4.750 1.061 -0.684) 4.915 2.769 ( 3.631 -2.351 2.068) 4.794 3.052 ( 0.057 -1.660 -5.557) 5.800 3.221 ( 0.074 0.251 -0.447) 0.518 3.280 ( 0.121 0.645 -3.828) 3.884 3.509 ( 0.352 4.573 3.317) 5.661 3.539 ( 3.330 2.460 -4.757) 6.306 3.806 ( -6.292 9.763 1.479) 11.708 3.953 ( 1.829 -3.678 -2.521) 4.819 4.152 ( -1.959 -6.446 -1.753) 6.962 4.380 ( 1.618 0.986 0.327) 1.923 4.504 ( -2.121 4.722 -0.654) 5.218 4.789 ( 0.727 -7.095 -2.806) 7.664 5.042 ( 4.263 5.537 7.500) 10.251 5.350 ( 5.295 -7.241 -0.098) 8.971 5.528 ( -1.722 -7.826 0.818) 8.055 5.548 ( -1.023 -6.366 -2.762) 7.015 5.858 ( 2.496 4.998 -0.772) 5.639 5.956 ( 0.882 -9.036 2.445) 9.403 5.985 ( 1.298 0.102 1.762) 2.191 6.768 ( -9.967 -9.848 0.567) 14.023 6.992 ( 9.258 5.738 -2.192) 11.110 7.174 ( 5.740 11.296 2.117) 12.846 7.560 ( -0.264 4.625 -4.553) 6.495 7.835 ( -7.341 11.519 0.224) 13.661 8.094 ( 3.626 -7.245 0.287) 8.107 8.318 ( -0.495 2.168 -0.858) 2.383 8.819 ( 2.594 0.861 4.316) 5.108 9.347 ( -14.145 -11.755 -1.718) 18.472 9.909 ( 1.026 -0.494 -2.729) 2.957 10.213 ( -6.031 -3.490 -0.585) 6.993 10.667 ( 10.315 8.256 -15.683) 20.506 11.199 ( 10.728 -3.342 1.427) 11.327 11.313 ( 3.068 -0.047 1.298) 3.332 11.534 ( 4.084 -0.423 3.391) 5.325 11.748 ( 0.862 0.859 0.778) 1.444 12.015 ( -0.285 -5.638 1.326) 5.799 12.506 ( -8.820 -3.663 2.806) 9.954 12.636 ( -3.187 1.292 2.433) 4.213 12.964 ( -1.291 10.924 2.690) 11.324 13.509 ( 1.496 -1.722 -2.433) 3.335 17.753 ( -2.131 1.977 -0.479) 2.946 18.212 ( 3.390 -4.639 1.333) 5.898 22.891 ( 5.449 1.955 1.301) 5.934 23.505 ( 3.808 -5.053 2.983) 6.995 23.587 ( 7.381 11.244 -4.284) 14.116 24.058 ( 3.503 1.097 0.168) 3.674 25.324 ( -7.860 10.489 -5.241) 14.116 26.619 ( -9.272 -20.433 1.948) 22.523 ======================= Grid point 188 (97/185) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -11.108 15.421 5.540) 19.796 1.249 ( -8.425 20.196 5.666) 22.605 1.908 ( -0.781 17.518 -6.537) 18.714 2.351 ( -0.415 22.924 13.016) 26.365 2.457 ( -1.110 15.781 8.493) 17.956 2.690 ( 0.625 -3.810 -3.150) 4.982 2.805 ( 0.300 -3.417 -2.527) 4.261 2.974 ( -0.912 1.187 -3.167) 3.503 3.216 ( 0.326 2.539 0.605) 2.631 3.322 ( 4.312 0.062 -1.473) 4.557 3.516 ( 2.167 16.212 -3.398) 16.706 3.588 ( 0.227 1.964 3.283) 3.833 3.707 ( -3.969 2.106 1.945) 4.896 3.971 ( 1.290 -5.066 -5.895) 7.879 4.098 ( -0.218 0.137 -1.775) 1.794 4.397 ( -5.275 1.083 1.643) 5.630 4.504 ( 5.958 0.472 -1.496) 6.161 4.711 ( -2.919 1.906 -8.532) 9.217 5.200 ( 3.686 -2.719 9.996) 10.995 5.420 ( 0.957 -8.820 2.034) 9.102 5.458 ( -1.059 -5.665 -2.079) 6.127 5.625 ( 7.520 -9.034 -0.077) 11.755 5.860 ( -1.042 0.327 0.008) 1.093 5.973 ( 0.102 0.293 0.150) 0.344 6.077 ( 5.963 -4.364 2.790) 7.898 6.553 ( -12.988 -7.826 0.644) 15.177 7.093 ( 2.577 -0.841 -0.573) 2.771 7.328 ( 9.470 5.049 1.784) 10.880 7.596 ( 6.152 10.306 -3.575) 12.524 7.747 ( -1.875 7.771 -0.741) 8.028 8.076 ( -2.846 -1.214 -3.746) 4.858 8.351 ( 3.353 -3.240 0.291) 4.671 8.886 ( 0.491 -1.223 6.464) 6.597 9.020 ( -19.716 -11.820 -1.512) 23.037 9.896 ( 0.439 -1.692 -4.726) 5.039 10.129 ( -3.252 -3.373 -0.151) 4.688 10.662 ( 3.772 15.628 -15.999) 22.681 11.313 ( 3.056 2.342 -0.175) 3.854 11.403 ( 3.790 -1.264 1.128) 4.151 11.596 ( 2.121 -0.639 0.109) 2.218 11.755 ( -1.334 -2.340 -0.549) 2.749 12.152 ( 10.049 -7.907 8.662) 15.445 12.376 ( -7.733 -3.080 2.597) 8.719 12.595 ( -2.591 2.015 1.134) 3.472 12.969 ( 0.049 9.115 1.531) 9.243 13.506 ( 0.494 -4.075 -3.299) 5.266 17.727 ( -0.604 2.716 -0.190) 2.789 18.268 ( 1.663 -4.933 1.577) 5.439 22.997 ( 4.477 1.638 0.138) 4.769 23.574 ( -1.134 -3.679 6.134) 7.243 23.788 ( 19.901 11.238 -4.173) 23.232 24.083 ( 1.412 12.250 -5.212) 13.387 25.178 ( -4.233 4.906 -3.003) 7.142 26.391 ( -17.782 -26.596 2.228) 32.071 ======================= Grid point 189 (98/185) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 1.965 16.935 4.341) 17.593 1.608 ( -0.868 20.460 -0.953) 20.500 2.132 ( -1.796 10.778 -4.849) 11.954 2.446 ( -2.276 -8.222 -4.375) 9.588 2.609 ( 3.367 3.173 -0.948) 4.722 2.667 ( -1.654 1.918 -3.003) 3.928 2.995 ( -2.337 1.979 -0.070) 3.063 3.005 ( -2.775 5.577 -0.775) 6.277 3.275 ( -0.276 3.610 -0.562) 3.664 3.403 ( 1.437 10.071 6.370) 12.003 3.587 ( -3.524 -2.171 2.890) 5.048 3.734 ( 8.523 -1.379 -0.826) 8.674 3.837 ( 1.352 -0.048 -0.927) 1.641 3.938 ( 2.449 15.196 -1.995) 15.520 4.172 ( -2.819 5.680 2.136) 6.691 4.284 ( -11.278 4.087 2.484) 12.250 4.591 ( -5.333 -1.923 -2.021) 6.018 4.663 ( 10.333 2.612 -2.271) 10.897 5.190 ( -3.310 -8.754 3.161) 9.879 5.347 ( 2.866 -2.233 2.949) 4.679 5.400 ( 3.986 1.160 0.208) 4.156 5.501 ( 1.864 -12.249 1.953) 12.543 5.741 ( -1.224 -6.069 2.429) 6.651 6.002 ( 0.529 -2.023 -0.138) 2.096 6.155 ( 5.302 -1.636 1.267) 5.691 6.326 ( -1.004 -4.071 2.717) 4.996 7.014 ( -4.084 0.067 -6.938) 8.051 7.386 ( 1.389 -7.260 -3.053) 7.998 7.834 ( -1.062 10.350 0.346) 10.410 7.946 ( 7.617 2.941 -3.582) 8.916 7.974 ( -4.936 5.978 -3.111) 8.354 8.371 ( 3.405 -0.081 -1.764) 3.835 8.603 ( -5.090 -7.314 1.276) 9.002 8.854 ( -1.156 -5.751 4.786) 7.570 9.828 ( -0.974 -0.233 -4.997) 5.096 10.011 ( -0.746 -4.855 -1.034) 5.019 10.940 ( 2.448 15.812 -7.975) 17.878 11.391 ( -3.081 3.584 -1.624) 4.998 11.484 ( 4.064 2.194 2.737) 5.369 11.589 ( -1.309 -3.244 3.429) 4.899 11.667 ( 0.200 -2.559 1.420) 2.934 12.007 ( -1.262 -15.578 3.888) 16.105 12.380 ( 0.624 3.231 0.911) 3.414 12.576 ( -0.933 -1.468 1.066) 2.040 13.116 ( -0.442 7.851 -2.850) 8.364 13.421 ( -0.128 -2.290 -3.455) 4.147 17.802 ( 0.419 4.925 0.171) 4.946 18.181 ( -0.256 -6.475 1.684) 6.695 23.069 ( -1.434 3.676 0.534) 3.982 23.485 ( -3.487 -6.806 7.466) 10.687 24.121 ( 0.899 9.770 -1.951) 10.003 24.489 ( 21.888 3.610 -11.623) 25.044 25.173 ( -1.649 4.108 -2.674) 5.172 25.651 ( -14.258 -16.991 3.602) 22.471 ======================= Grid point 190 (99/185) ======================= q-point: ( 0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 10.010 9.835 8.239) 16.273 1.654 ( 5.961 16.898 1.122) 17.954 2.085 ( 1.121 11.432 -4.463) 12.323 2.343 ( -3.926 -1.280 -3.550) 5.446 2.585 ( -3.323 -1.036 -8.243) 8.948 2.698 ( 6.858 -4.779 -4.737) 9.608 2.879 ( -5.361 2.543 -2.982) 6.641 2.989 ( -2.147 0.107 5.148) 5.579 3.249 ( -2.483 2.506 0.617) 3.581 3.470 ( -2.578 4.505 3.444) 6.229 3.534 ( -1.459 4.436 1.327) 4.855 3.838 ( 1.139 -1.475 -3.119) 3.633 3.869 ( 2.769 4.658 1.929) 5.752 3.978 ( 2.434 7.423 -1.689) 7.992 4.086 ( -7.519 6.878 5.007) 11.354 4.141 ( -6.001 10.387 4.370) 12.767 4.467 ( -4.998 -0.299 -5.084) 7.136 4.827 ( 9.397 3.630 -1.474) 10.181 5.140 ( -4.258 -6.690 1.219) 8.023 5.390 ( 1.267 -4.737 1.612) 5.161 5.498 ( 2.654 -1.226 5.247) 6.006 5.571 ( 5.293 -9.598 1.805) 11.108 5.730 ( -1.776 -2.391 0.316) 2.995 5.999 ( -0.408 -4.138 -0.785) 4.232 6.214 ( 1.598 0.483 3.572) 3.943 6.434 ( 7.961 -6.735 0.412) 10.436 6.873 ( -4.241 0.953 -7.482) 8.653 7.360 ( -2.526 -10.397 -1.100) 10.756 7.774 ( -7.893 7.734 -3.995) 11.751 7.857 ( 0.207 6.402 0.336) 6.415 8.097 ( 8.787 5.765 -2.426) 10.786 8.386 ( -0.145 2.493 -1.420) 2.873 8.668 ( 10.626 -8.710 -0.156) 13.740 8.867 ( -1.658 -6.279 4.929) 8.153 9.774 ( -0.681 0.610 -4.790) 4.877 10.015 ( 2.002 -6.021 -0.837) 6.400 10.852 ( -5.898 18.749 -7.559) 21.058 11.288 ( -5.772 1.600 0.711) 6.031 11.522 ( -6.690 -0.936 2.406) 7.171 11.573 ( 1.243 2.093 1.858) 3.063 11.710 ( 2.340 -2.848 1.817) 4.110 12.038 ( 1.430 -16.855 2.752) 17.138 12.393 ( 0.097 2.595 0.983) 2.777 12.589 ( 1.460 -1.864 1.515) 2.811 13.094 ( 0.632 8.170 -2.751) 8.644 13.402 ( 0.779 -1.752 -2.883) 3.462 17.813 ( 0.702 4.555 0.020) 4.609 18.173 ( -2.017 -6.106 1.530) 6.611 23.014 ( -5.017 4.263 1.111) 6.677 23.446 ( -5.776 -5.435 5.075) 9.416 24.026 ( -7.462 10.707 -2.860) 13.361 24.664 ( 1.430 -10.558 -7.785) 13.196 25.231 ( 13.205 8.128 -5.214) 16.359 25.600 ( 4.880 -9.790 5.205) 12.115 ======================= Grid point 191 (100/185) ======================= q-point: ( 0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 5.611 8.129 7.936) 12.671 1.844 ( 12.450 9.726 1.277) 15.851 2.136 ( 8.520 9.460 -2.820) 13.040 2.288 ( 0.231 1.330 -1.688) 2.161 2.442 ( -3.975 -1.591 -10.389) 11.236 2.707 ( -2.172 -2.576 -4.939) 5.979 2.828 ( -0.321 -2.460 2.310) 3.390 3.001 ( -0.814 -3.281 3.206) 4.659 3.203 ( -4.176 2.884 2.301) 5.572 3.364 ( -8.640 -1.600 1.009) 8.844 3.506 ( -3.671 5.567 -2.097) 6.991 3.812 ( -0.341 0.609 -2.627) 2.718 3.851 ( -3.837 5.658 3.258) 7.572 3.988 ( -0.022 0.246 1.014) 1.043 4.074 ( -0.838 5.750 3.811) 6.949 4.148 ( 2.933 17.690 2.840) 18.155 4.371 ( -0.682 2.409 -5.111) 5.692 4.957 ( 5.876 5.320 -0.756) 7.963 5.063 ( -4.444 -6.041 -0.276) 7.505 5.432 ( 1.779 -4.648 2.509) 5.574 5.551 ( 0.309 -6.935 2.462) 7.366 5.653 ( -0.752 1.759 -4.403) 4.800 5.731 ( 4.173 -3.599 6.731) 8.700 5.977 ( -1.514 -8.162 -0.854) 8.345 6.291 ( 3.894 1.998 2.385) 4.985 6.449 ( -6.696 -3.223 -2.269) 7.770 6.865 ( 8.803 -0.910 -3.171) 9.401 7.287 ( -5.316 -11.208 0.846) 12.434 7.601 ( -6.617 8.516 -5.410) 12.066 7.880 ( 0.664 3.545 0.308) 3.620 8.223 ( 7.144 5.858 -0.876) 9.280 8.382 ( 1.726 5.465 -1.366) 5.892 8.850 ( -1.175 -5.342 2.739) 6.117 8.920 ( 14.338 -9.702 -0.412) 17.317 9.745 ( 1.039 2.300 -3.035) 3.947 10.065 ( 4.145 -7.231 -0.542) 8.352 10.652 ( -10.048 16.652 -5.396) 20.183 11.184 ( -8.305 -2.450 0.451) 8.671 11.410 ( -5.856 0.316 2.914) 6.549 11.575 ( -2.168 3.010 0.090) 3.711 11.765 ( 2.512 -2.554 0.566) 3.627 12.059 ( -1.323 -14.183 1.224) 14.297 12.417 ( 1.858 2.383 1.877) 3.558 12.642 ( 2.503 -2.766 1.950) 4.209 13.105 ( 2.151 9.132 -1.107) 9.447 13.408 ( 1.933 -0.593 -1.896) 2.771 17.828 ( 1.130 3.555 -0.268) 3.739 18.135 ( -3.388 -5.383 1.177) 6.468 22.930 ( -5.128 4.460 1.351) 6.929 23.372 ( -5.634 -5.705 2.564) 8.418 23.865 ( -7.639 8.667 -2.808) 11.889 24.490 ( -13.148 -15.214 -2.199) 20.228 25.483 ( 17.959 10.024 -7.876) 22.024 25.828 ( 14.495 -4.947 4.841) 16.063 ======================= Grid point 192 (101/185) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 4.667 10.331 4.275) 12.115 2.030 ( 8.703 5.700 -3.260) 10.902 2.278 ( 7.517 0.379 -5.629) 9.398 2.326 ( -2.423 5.268 -2.365) 6.262 2.362 ( 7.744 5.366 4.714) 10.535 2.604 ( -5.442 0.134 -2.907) 6.171 2.834 ( -1.726 -5.039 2.253) 5.783 2.984 ( -2.502 -8.767 -0.314) 9.123 3.123 ( -6.659 1.438 2.445) 7.238 3.240 ( -4.907 -4.778 2.788) 7.395 3.431 ( -2.419 5.638 0.477) 6.154 3.768 ( -3.154 5.893 0.907) 6.745 3.873 ( 2.937 3.731 -1.540) 4.992 3.992 ( -0.965 -2.770 1.238) 3.184 4.073 ( 0.147 6.343 -0.159) 6.347 4.225 ( 4.188 9.404 0.284) 10.298 4.386 ( 4.350 9.367 -0.746) 10.355 4.962 ( -4.059 0.054 0.911) 4.160 5.044 ( 2.045 2.296 -1.718) 3.522 5.472 ( -0.297 -0.893 0.084) 0.945 5.534 ( -1.244 -6.681 -1.543) 6.969 5.604 ( -1.266 -0.711 -0.013) 1.452 5.847 ( 1.089 -4.960 2.571) 5.691 5.947 ( 0.676 -9.702 -0.026) 9.725 6.229 ( -9.137 5.032 -5.909) 11.988 6.406 ( 1.962 1.554 6.474) 6.941 7.021 ( 9.033 -2.192 -3.654) 9.987 7.206 ( -5.075 -9.274 4.271) 11.401 7.482 ( -1.719 6.969 -5.801) 9.229 7.863 ( -2.787 -1.664 0.068) 3.247 8.339 ( 6.462 8.117 0.031) 10.375 8.437 ( 5.569 6.014 -1.664) 8.364 8.798 ( -5.656 -0.885 1.783) 5.996 9.187 ( 14.581 -10.577 -0.990) 18.040 9.782 ( 5.357 3.546 -0.713) 6.464 10.136 ( 3.108 -6.331 0.162) 7.054 10.459 ( -6.817 11.834 -3.378) 14.068 10.995 ( -11.819 -6.736 -1.116) 13.649 11.377 ( -1.390 3.346 3.130) 4.788 11.510 ( -4.264 3.225 -1.045) 5.447 11.798 ( 0.767 -3.100 0.152) 3.197 12.020 ( -2.558 -10.748 -0.931) 11.087 12.482 ( 2.955 0.535 3.015) 4.255 12.689 ( 1.061 -3.553 1.582) 4.031 13.146 ( 2.304 10.202 0.997) 10.507 13.439 ( 2.651 0.751 -0.945) 2.913 17.850 ( 1.705 2.123 -0.512) 2.771 18.076 ( -3.967 -4.354 0.738) 5.936 22.867 ( -2.883 3.738 1.028) 4.831 23.295 ( -4.513 -6.922 1.048) 8.329 23.731 ( -5.017 6.942 -2.705) 8.982 24.236 ( -13.203 -13.206 -1.541) 18.737 25.703 ( 12.879 11.389 -6.274) 18.301 26.119 ( 13.543 -4.493 4.453) 14.947 ======================= Grid point 193 (102/185) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -1.606 12.924 2.626) 13.285 2.100 ( 6.049 4.880 -6.462) 10.108 2.302 ( -2.458 8.910 3.422) 9.855 2.357 ( 4.919 2.795 -2.578) 6.218 2.487 ( -3.048 -0.438 -0.082) 3.080 2.545 ( 6.178 5.353 1.091) 8.247 2.805 ( -0.935 -2.277 -0.998) 2.656 2.924 ( -3.507 -8.946 -0.060) 9.609 3.067 ( -0.033 -3.437 2.260) 4.113 3.247 ( 1.845 -4.214 2.735) 5.352 3.440 ( 1.276 2.803 3.378) 4.571 3.729 ( -2.150 5.587 1.627) 6.203 3.853 ( -3.364 2.820 -1.894) 4.780 3.957 ( -3.696 -0.837 2.385) 4.478 4.109 ( 3.699 3.552 -2.614) 5.756 4.311 ( 4.882 3.824 0.205) 6.205 4.475 ( 4.670 9.506 1.698) 10.726 4.920 ( -0.634 -1.384 -0.204) 1.536 5.034 ( -1.882 7.791 -0.985) 8.076 5.394 ( -3.246 5.005 -6.308) 8.682 5.543 ( -1.485 -8.735 4.222) 9.815 5.575 ( -2.398 -5.380 -0.533) 5.915 5.782 ( -3.143 -8.292 -6.707) 11.118 5.989 ( -1.303 -5.968 2.617) 6.646 6.070 ( -4.430 9.385 0.247) 10.381 6.492 ( 3.658 -0.550 3.409) 5.030 7.066 ( 1.490 -1.227 -6.411) 6.695 7.214 ( -0.362 0.374 7.652) 7.670 7.471 ( 4.849 -0.981 -3.422) 6.016 7.793 ( -4.673 -4.372 -0.560) 6.424 8.440 ( 4.726 9.173 -0.383) 10.326 8.534 ( 5.715 3.959 -1.236) 7.061 8.687 ( -7.280 5.585 0.566) 9.193 9.377 ( 6.944 -9.765 -0.270) 11.985 9.927 ( 10.352 2.058 -0.383) 10.561 10.138 ( -2.771 2.146 2.100) 4.086 10.411 ( 3.448 1.223 -2.867) 4.648 10.792 ( -8.777 -7.291 -1.777) 11.548 11.379 ( -1.027 3.402 1.080) 3.714 11.429 ( -3.669 2.646 0.056) 4.524 11.794 ( -1.158 -3.488 0.062) 3.675 11.977 ( -0.640 -8.263 -2.301) 8.601 12.549 ( 1.513 -1.181 3.803) 4.260 12.698 ( -1.008 -3.611 0.886) 3.852 13.189 ( 0.884 11.075 2.450) 11.377 13.479 ( 2.174 1.392 -0.401) 2.613 17.876 ( 1.493 0.702 -0.633) 1.767 18.016 ( -2.878 -3.275 0.429) 4.381 22.840 ( -1.083 2.937 0.672) 3.201 23.241 ( -1.897 -7.795 0.402) 8.032 23.653 ( -1.524 5.888 -2.782) 6.688 24.025 ( -8.829 -9.740 -1.961) 13.292 25.832 ( 6.280 12.644 -4.710) 14.882 26.346 ( 8.125 -6.034 4.310) 11.000 ======================= Grid point 194 (103/185) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -7.309 13.526 4.138) 15.922 2.151 ( -0.009 13.386 -0.853) 13.413 2.261 ( -0.835 7.143 -2.543) 7.628 2.368 ( -2.165 3.399 0.552) 4.067 2.485 ( 3.580 -0.198 -1.613) 3.931 2.636 ( 3.213 3.266 0.288) 4.591 2.814 ( 2.620 2.370 -1.416) 3.806 2.892 ( 0.444 -6.016 0.021) 6.033 3.143 ( 5.960 -5.421 0.725) 8.089 3.305 ( 3.643 1.619 -1.594) 4.294 3.473 ( -0.773 2.909 0.312) 3.026 3.705 ( -2.501 5.854 1.539) 6.549 3.823 ( 0.998 -4.583 5.679) 7.365 3.911 ( -3.654 -3.435 2.780) 5.735 4.129 ( 0.274 3.471 -1.753) 3.898 4.376 ( 1.435 1.378 2.872) 3.494 4.546 ( 0.891 5.896 1.828) 6.237 4.881 ( -3.581 6.030 -5.032) 8.631 5.032 ( 3.825 3.357 0.424) 5.107 5.298 ( -2.620 6.297 -4.288) 8.056 5.489 ( -3.956 -5.533 -2.285) 7.175 5.534 ( -3.959 -9.799 2.935) 10.968 5.710 ( 0.518 -6.103 -5.263) 8.076 5.948 ( -3.040 -1.234 2.236) 3.970 6.039 ( -2.289 4.333 1.064) 5.015 6.587 ( 4.394 -4.911 1.906) 6.859 7.041 ( 1.571 3.094 -5.750) 6.716 7.256 ( -0.427 6.879 5.630) 8.899 7.591 ( 9.128 -7.809 0.376) 12.018 7.699 ( -4.693 -4.459 -1.757) 6.707 8.486 ( -5.723 5.107 -0.385) 7.680 8.490 ( -2.483 14.412 -1.501) 14.702 8.675 ( 4.779 2.530 0.080) 5.408 9.427 ( -0.951 -9.621 0.018) 9.668 9.991 ( -2.369 3.086 -0.229) 3.897 10.229 ( 9.031 -1.830 1.277) 9.303 10.445 ( 2.644 0.870 -2.883) 4.007 10.728 ( 4.527 -6.398 -1.848) 8.052 11.342 ( -2.059 2.583 -1.004) 3.452 11.406 ( -0.924 0.666 2.443) 2.696 11.768 ( -1.428 -1.861 0.108) 2.348 11.963 ( 0.968 -5.962 -2.764) 6.643 12.583 ( -1.540 -2.492 4.658) 5.503 12.673 ( -2.086 -2.784 0.309) 3.493 13.208 ( -1.033 11.335 2.681) 11.693 13.504 ( 0.964 1.045 -0.363) 1.468 17.873 ( -1.409 0.630 -0.697) 1.694 18.004 ( 1.324 -3.341 0.483) 3.626 22.836 ( 0.080 3.109 0.794) 3.210 23.241 ( 1.569 -8.304 0.366) 8.459 23.636 ( 1.972 5.714 -2.994) 6.745 23.912 ( -2.206 -6.392 -1.851) 7.011 25.847 ( -0.992 13.119 -3.937) 13.732 26.460 ( 1.308 -8.833 3.483) 9.584 ======================= Grid point 195 (104/185) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -9.687 14.614 5.848) 18.482 2.053 ( -8.101 19.763 -2.188) 21.471 2.236 ( -1.131 7.865 -2.983) 8.488 2.361 ( 1.698 2.941 0.156) 3.399 2.549 ( 4.426 0.980 -0.296) 4.543 2.681 ( 2.726 -0.458 -1.135) 2.989 2.865 ( 3.901 5.439 -0.840) 6.746 2.926 ( 1.671 -1.545 1.584) 2.773 3.238 ( 3.996 -3.564 -0.919) 5.433 3.316 ( 1.388 4.764 -7.798) 9.243 3.470 ( 0.452 5.538 4.970) 7.455 3.680 ( -1.081 4.275 -0.218) 4.415 3.880 ( 0.256 -1.966 -0.146) 1.988 3.936 ( 2.735 -8.991 8.703) 12.809 4.094 ( -2.507 3.839 -1.387) 4.790 4.402 ( -2.911 -0.791 4.839) 5.703 4.550 ( -0.058 0.583 2.354) 2.426 4.758 ( -4.175 10.345 -6.227) 12.776 5.119 ( 4.591 0.706 -0.665) 4.693 5.258 ( 1.238 4.763 -3.238) 5.891 5.411 ( -4.109 -3.538 0.564) 5.451 5.476 ( -3.505 -9.134 0.800) 9.816 5.715 ( 2.706 -8.154 -1.703) 8.759 5.928 ( -1.529 -4.744 2.474) 5.565 5.998 ( -2.395 6.771 0.294) 7.188 6.638 ( -0.741 -10.525 0.653) 10.572 7.055 ( 4.370 8.063 -3.985) 9.999 7.291 ( 0.462 7.069 3.844) 8.060 7.616 ( -1.160 -2.199 -4.472) 5.117 7.771 ( 9.505 -9.112 2.269) 13.361 8.295 ( -11.016 15.468 -0.924) 19.012 8.470 ( -1.922 7.247 -1.884) 7.731 8.754 ( 3.337 -0.225 0.935) 3.473 9.340 ( -8.830 -11.740 -0.906) 14.719 9.946 ( -1.848 2.685 -0.558) 3.307 10.238 ( -5.451 -5.982 -0.327) 8.099 10.598 ( 15.352 3.866 -5.703) 16.827 10.880 ( 12.105 -5.474 -0.250) 13.288 11.313 ( -0.707 1.486 -0.060) 1.647 11.425 ( 0.667 -1.804 3.970) 4.412 11.763 ( 1.075 2.201 0.465) 2.493 11.956 ( 0.415 -3.849 -3.034) 4.918 12.552 ( -5.605 -2.475 3.885) 7.255 12.644 ( -1.791 -2.280 1.498) 3.263 13.196 ( -1.996 10.979 1.839) 11.309 13.506 ( -0.149 0.023 -0.995) 1.007 17.835 ( -1.900 2.044 -0.581) 2.851 18.051 ( 2.988 -4.630 0.800) 5.569 22.866 ( 2.772 4.135 1.400) 5.172 23.292 ( 3.236 -8.427 1.248) 9.113 23.677 ( 5.502 6.726 -3.372) 9.321 23.925 ( 4.973 -3.862 -1.211) 6.412 25.741 ( -7.590 12.707 -3.900) 15.306 26.437 ( -6.346 -12.666 1.760) 14.275 ======================= Grid point 196 (105/185) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -12.863 15.703 3.938) 20.677 1.870 ( -8.797 23.353 -5.319) 25.515 2.208 ( 0.718 9.864 -2.804) 10.279 2.395 ( 1.557 -0.262 0.276) 1.603 2.629 ( 3.222 0.195 1.574) 3.591 2.712 ( 1.643 -0.528 -2.160) 2.764 2.922 ( 2.189 13.825 1.208) 14.050 2.963 ( 1.536 -0.898 2.390) 2.980 3.270 ( 1.167 3.944 -0.167) 4.116 3.305 ( 2.841 2.053 -3.881) 5.229 3.529 ( 1.318 1.600 4.504) 4.958 3.657 ( -0.404 2.541 -1.983) 3.249 3.894 ( -0.453 1.790 -1.380) 2.305 3.983 ( -2.267 -7.066 3.536) 8.220 4.071 ( 1.976 9.788 -0.987) 10.034 4.391 ( 1.784 -0.421 1.700) 2.500 4.555 ( -2.250 -6.338 -2.267) 7.097 4.689 ( -1.390 7.699 2.616) 8.249 5.178 ( 2.524 1.526 1.023) 3.122 5.257 ( 1.398 0.154 -5.512) 5.689 5.359 ( -2.970 -8.824 3.755) 10.039 5.447 ( -0.387 -1.864 0.751) 2.046 5.755 ( 0.650 -11.517 1.881) 11.688 5.932 ( 1.417 -5.516 0.903) 5.767 5.980 ( -0.008 7.170 1.133) 7.259 6.565 ( -7.455 -10.725 0.516) 13.071 7.106 ( 3.152 6.245 -2.944) 7.590 7.327 ( 1.656 4.061 0.786) 4.456 7.623 ( 6.722 2.920 -5.410) 9.110 7.935 ( 6.203 -7.670 1.992) 10.064 8.107 ( -8.353 14.964 -1.700) 17.222 8.405 ( -3.292 6.136 -1.990) 7.242 8.805 ( 1.138 -2.427 2.346) 3.562 9.108 ( -15.771 -13.175 -1.920) 20.639 9.914 ( -0.853 1.226 -2.241) 2.693 10.134 ( -5.215 -4.590 -0.578) 6.972 10.792 ( 12.490 5.561 -9.062) 16.403 11.118 ( 13.661 -4.926 1.093) 14.563 11.320 ( 1.088 0.794 1.629) 2.113 11.485 ( 1.777 -4.029 5.269) 6.867 11.801 ( 1.576 3.553 -1.463) 4.153 11.938 ( 0.358 -2.549 -0.306) 2.592 12.462 ( -6.723 -0.443 2.567) 7.210 12.624 ( -2.401 -2.282 2.433) 4.110 13.171 ( -1.656 10.077 0.334) 10.218 13.486 ( -0.660 -1.194 -2.186) 2.576 17.806 ( -0.947 3.547 -0.274) 3.681 18.110 ( 2.651 -5.786 1.239) 6.484 22.954 ( 5.395 4.469 1.594) 7.185 23.368 ( 3.126 -8.146 3.953) 9.579 23.785 ( 10.282 8.621 -4.020) 14.007 24.054 ( 10.182 -1.376 -1.507) 10.384 25.537 ( -11.586 11.177 -4.197) 16.637 26.261 ( -14.328 -16.477 0.094) 21.835 ======================= Grid point 197 (106/185) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -9.288 17.964 2.221) 20.345 1.694 ( -6.337 23.398 -4.180) 24.598 2.192 ( -0.567 11.055 -3.905) 11.738 2.433 ( 3.780 -6.456 -1.870) 7.712 2.639 ( -3.458 0.160 1.033) 3.612 2.703 ( -0.070 1.832 -2.951) 3.474 2.980 ( 2.213 11.738 2.836) 12.277 3.008 ( 1.072 6.547 2.409) 7.058 3.283 ( -0.177 5.054 -0.392) 5.073 3.347 ( 2.428 4.690 2.253) 5.742 3.584 ( 1.217 -1.658 3.376) 3.953 3.644 ( 2.024 -2.936 -3.026) 4.677 3.844 ( -0.858 0.212 -2.995) 3.123 3.945 ( -3.021 10.886 1.193) 11.360 4.144 ( 4.657 5.841 0.109) 7.471 4.437 ( -6.193 2.879 1.312) 6.954 4.511 ( 7.388 -3.261 -2.960) 8.601 4.676 ( -3.462 0.325 1.730) 3.884 5.215 ( -2.273 -8.489 3.725) 9.545 5.258 ( 3.903 0.690 0.162) 3.967 5.363 ( 2.016 -4.011 -1.925) 4.885 5.463 ( 0.567 -3.774 2.539) 4.584 5.752 ( -2.399 -10.076 3.214) 10.845 5.982 ( 1.718 -3.459 0.431) 3.886 6.031 ( 5.684 1.886 1.493) 6.172 6.418 ( -9.030 -6.856 1.554) 11.444 7.100 ( -0.702 2.158 -4.581) 5.112 7.363 ( 3.074 -1.451 -2.440) 4.184 7.753 ( 10.862 6.251 -4.217) 13.223 7.928 ( -5.764 9.335 1.544) 11.079 8.053 ( 1.316 -0.125 -3.662) 3.893 8.349 ( -0.882 3.111 -1.036) 3.396 8.795 ( -14.007 -10.291 0.179) 17.382 8.841 ( -2.181 -4.842 2.677) 5.947 9.877 ( -0.771 0.070 -3.952) 4.027 10.054 ( -3.231 -4.285 -0.913) 5.443 10.905 ( 8.170 10.610 -8.909) 16.084 11.335 ( 8.731 -1.100 0.351) 8.807 11.384 ( 4.583 -0.023 3.204) 5.592 11.552 ( 1.369 -4.188 4.566) 6.346 11.735 ( -5.152 0.848 -3.642) 6.366 11.989 ( 1.204 -7.784 4.191) 8.922 12.384 ( -3.070 2.790 1.501) 4.412 12.597 ( -2.320 -1.750 1.726) 3.380 13.145 ( -0.898 8.789 -1.469) 8.956 13.454 ( -0.606 -2.116 -3.221) 3.901 17.797 ( -0.053 4.577 0.059) 4.577 18.157 ( 1.448 -6.403 1.581) 6.752 23.047 ( 3.368 3.756 0.745) 5.100 23.451 ( 0.862 -8.011 7.269) 10.851 23.982 ( 14.474 9.086 -3.674) 17.480 24.238 ( 13.558 3.437 -5.285) 14.952 25.305 ( -9.978 7.863 -3.972) 13.310 25.956 ( -19.467 -18.466 0.529) 26.837 ======================= Grid point 198 (107/185) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.315 15.681 -0.627) 15.696 1.904 ( -1.438 4.140 -4.218) 6.083 2.212 ( -1.403 2.212 -4.309) 5.043 2.321 ( -0.213 -4.751 -2.223) 5.249 2.635 ( 0.250 1.101 -6.140) 6.243 2.676 ( -1.194 -1.988 -9.505) 9.784 2.997 ( -2.600 0.874 -2.019) 3.405 3.035 ( -2.206 -1.400 -0.364) 2.638 3.356 ( -2.749 5.654 0.735) 6.330 3.480 ( -2.844 -6.776 2.812) 7.868 3.626 ( 2.349 7.660 2.915) 8.526 3.702 ( 6.511 -1.905 -0.018) 6.784 3.914 ( 1.401 7.273 5.459) 9.201 4.039 ( -2.063 -3.259 2.753) 4.739 4.307 ( -3.637 7.342 2.754) 8.644 4.439 ( 0.580 -2.209 1.403) 2.680 4.550 ( -6.764 11.616 3.013) 13.775 4.759 ( 5.381 1.570 -3.304) 6.507 4.987 ( -0.715 -6.392 4.142) 7.650 5.138 ( 3.234 -14.649 -0.014) 15.002 5.448 ( 3.113 5.740 4.318) 7.828 5.587 ( 2.630 5.299 0.139) 5.918 5.602 ( -0.584 -0.566 1.608) 1.802 5.852 ( 0.523 -12.310 -3.076) 12.699 6.171 ( 2.354 2.938 3.975) 5.475 6.244 ( -0.143 -4.327 4.070) 5.942 7.079 ( -3.156 6.192 -8.364) 10.874 7.227 ( -1.406 -8.565 -6.842) 11.052 7.961 ( 1.708 2.804 -1.764) 3.727 7.983 ( -1.324 1.094 -1.739) 2.444 8.134 ( 2.362 9.817 -1.497) 10.207 8.319 ( 2.103 -7.768 -1.657) 8.216 8.565 ( -2.645 5.330 1.184) 6.067 8.716 ( -1.151 -8.352 2.081) 8.684 9.850 ( -1.218 2.512 -3.583) 4.542 9.919 ( -1.162 -4.435 -2.223) 5.095 11.209 ( 4.073 12.354 -1.844) 13.138 11.396 ( 1.445 -5.523 0.137) 5.710 11.524 ( 5.114 1.746 4.546) 7.062 11.538 ( 0.167 -0.454 5.067) 5.090 11.651 ( -3.488 1.371 -1.508) 4.040 11.756 ( -5.141 -9.709 -1.732) 11.122 12.450 ( -0.335 3.941 0.884) 4.052 12.525 ( -0.819 -3.549 1.001) 3.777 13.259 ( -0.191 6.628 -3.607) 7.548 13.363 ( -0.160 -4.093 -3.341) 5.285 17.914 ( 0.202 6.559 0.757) 6.606 18.048 ( -0.023 -7.130 1.370) 7.261 23.171 ( -1.614 6.896 2.536) 7.522 23.326 ( -2.073 -8.815 5.448) 10.568 24.305 ( 4.796 9.105 -3.648) 10.918 24.455 ( 11.142 -5.832 -6.424) 14.122 25.275 ( -2.867 6.042 -2.713) 7.217 25.411 ( -7.336 -8.825 -0.491) 11.486 ======================= Grid point 199 (108/185) ======================= q-point: ( 0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 5.125 11.276 0.377) 12.392 1.903 ( 4.174 4.303 -2.605) 6.536 2.175 ( 1.516 2.643 -4.975) 5.834 2.290 ( -0.865 -5.185 -1.881) 5.583 2.567 ( -1.201 0.580 -11.144) 11.224 2.613 ( 2.759 -3.601 -6.770) 8.150 2.932 ( -4.334 3.225 0.380) 5.415 2.985 ( -4.535 -1.476 3.100) 5.688 3.308 ( -3.670 4.696 2.121) 6.326 3.421 ( -5.852 -5.959 2.548) 8.732 3.669 ( 0.846 6.773 -0.688) 6.860 3.776 ( 1.848 -4.352 -1.797) 5.058 3.969 ( -0.547 4.115 3.426) 5.382 4.010 ( -3.164 -0.325 2.977) 4.357 4.226 ( -6.863 7.838 5.359) 11.715 4.378 ( -8.003 -6.445 1.858) 10.442 4.514 ( 2.569 19.993 1.139) 20.189 4.835 ( 4.532 -8.827 -1.405) 10.021 5.055 ( 4.823 2.767 1.924) 5.884 5.235 ( 5.950 -12.238 1.490) 13.689 5.476 ( -2.202 7.691 0.839) 8.044 5.610 ( 2.346 3.536 2.441) 4.895 5.656 ( 1.697 -2.820 1.405) 3.579 5.819 ( -1.101 -12.088 -2.401) 12.373 6.253 ( 3.685 3.242 4.043) 6.358 6.329 ( 5.465 -4.587 2.873) 7.692 6.958 ( -3.020 7.557 -7.881) 11.329 7.143 ( -2.773 -11.129 -5.305) 12.637 7.890 ( -5.810 4.531 -2.437) 7.761 7.937 ( -2.390 0.474 -0.831) 2.574 8.234 ( 8.540 8.989 -1.853) 12.537 8.406 ( 7.645 -6.007 -3.589) 10.364 8.575 ( 3.285 4.019 2.252) 5.659 8.722 ( 0.112 -8.458 2.282) 8.762 9.813 ( 0.086 3.418 -3.144) 4.645 9.901 ( 0.940 -5.506 -1.786) 5.865 11.167 ( -7.927 13.211 -4.155) 15.957 11.303 ( -8.678 -1.209 -0.028) 8.762 11.502 ( -5.813 0.604 3.756) 6.947 11.585 ( -2.015 -5.034 5.399) 7.652 11.674 ( 5.154 1.939 -0.551) 5.534 11.773 ( 5.410 -8.995 -0.713) 10.521 12.456 ( 0.246 3.788 1.155) 3.968 12.531 ( 0.711 -3.782 1.355) 4.080 13.243 ( 1.524 6.872 -3.328) 7.786 13.349 ( 1.385 -4.047 -2.914) 5.176 17.918 ( -0.291 6.256 0.579) 6.290 18.046 ( -1.234 -6.820 1.183) 7.031 23.130 ( -4.878 7.703 2.571) 9.473 23.298 ( -5.189 -9.052 4.502) 11.364 24.230 ( -8.336 10.586 -3.552) 13.934 24.441 ( -7.162 -11.513 -4.731) 14.361 25.369 ( 14.843 5.870 -3.778) 16.402 25.468 ( 12.285 -5.065 -0.129) 13.289 ======================= Grid point 200 (109/185) ======================= q-point: ( 0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 6.322 6.527 1.667) 9.238 1.994 ( 7.266 0.143 -2.093) 7.563 2.201 ( 5.554 3.344 -4.351) 7.807 2.296 ( 3.360 -3.053 -0.859) 4.620 2.494 ( 0.537 6.385 -6.156) 8.886 2.617 ( 1.931 -5.783 -4.643) 7.664 2.842 ( -6.095 2.948 0.748) 6.811 2.918 ( -5.841 -4.609 2.564) 7.870 3.250 ( -5.933 2.798 3.054) 7.236 3.314 ( -8.586 -3.392 2.137) 9.476 3.629 ( -3.219 7.067 -1.879) 7.990 3.757 ( -0.335 -5.560 -1.993) 5.916 3.948 ( -2.857 4.166 3.250) 6.006 3.995 ( -2.190 -0.479 3.207) 3.913 4.184 ( -2.050 5.454 3.207) 6.651 4.279 ( -3.299 -3.529 -0.190) 4.834 4.595 ( 4.689 18.761 1.357) 19.386 4.899 ( 3.495 -10.993 -1.099) 11.587 5.133 ( 2.641 9.593 -0.514) 9.963 5.335 ( 3.286 -9.916 1.501) 10.554 5.454 ( -0.226 4.977 1.210) 5.126 5.630 ( -1.138 -7.872 1.307) 8.060 5.706 ( 3.160 2.152 0.407) 3.845 5.786 ( -1.333 -7.716 -1.851) 8.046 6.354 ( 3.998 3.784 3.240) 6.388 6.414 ( 0.734 -2.006 1.250) 2.475 6.897 ( 2.336 5.188 -3.846) 6.868 7.062 ( -2.728 -11.119 -2.335) 11.685 7.762 ( -6.104 7.504 -2.955) 10.115 7.873 ( -4.133 -3.659 -0.925) 5.597 8.379 ( 9.022 9.281 -1.984) 13.095 8.478 ( 4.137 1.782 -3.531) 5.724 8.732 ( 9.988 -4.969 1.277) 11.228 8.760 ( 4.323 -6.031 1.818) 7.640 9.813 ( 2.186 4.841 -1.707) 5.579 9.927 ( 3.157 -6.817 -0.820) 7.557 10.929 ( -13.372 11.775 -3.933) 18.246 11.102 ( -13.259 -6.343 -1.315) 14.757 11.467 ( -2.037 5.519 4.365) 7.325 11.584 ( -2.444 -4.159 3.696) 6.077 11.739 ( 2.605 1.725 -1.210) 3.350 11.836 ( 1.762 -8.199 -0.621) 8.409 12.481 ( 1.382 4.117 1.660) 4.649 12.567 ( 1.702 -4.529 1.722) 5.136 13.266 ( 3.215 7.168 -1.839) 8.069 13.371 ( 2.948 -3.592 -1.688) 4.944 17.914 ( -0.506 5.267 0.224) 5.296 18.024 ( -2.100 -5.943 0.786) 6.352 23.052 ( -5.680 8.035 2.225) 10.088 23.223 ( -6.166 -9.081 2.994) 11.377 24.033 ( -9.901 9.030 -2.974) 13.727 24.228 ( -11.900 -11.647 -2.796) 16.885 25.643 ( 17.718 6.600 -4.089) 19.344 25.744 ( 17.246 -4.326 -0.100) 17.780 ======================= Grid point 201 (110/185) ======================= q-point: ( 0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 8.052 4.817 1.206) 9.460 2.110 ( 7.104 -1.178 -1.225) 7.304 2.297 ( 7.486 4.706 -2.580) 9.211 2.383 ( 5.488 -1.312 -0.033) 5.642 2.498 ( 2.355 7.170 0.815) 7.590 2.590 ( -2.152 -1.946 -2.533) 3.852 2.750 ( -4.369 -1.549 1.109) 4.766 2.815 ( -7.009 -7.618 0.826) 10.384 3.141 ( -7.988 0.831 2.692) 8.471 3.171 ( -7.671 -2.434 2.259) 8.359 3.584 ( -1.116 9.628 0.434) 9.702 3.764 ( 1.302 -7.349 -1.014) 7.532 3.924 ( -2.374 3.128 2.026) 4.419 3.963 ( -3.547 -0.660 1.527) 3.918 4.190 ( 1.072 5.241 0.705) 5.396 4.266 ( 1.849 -2.250 -0.212) 2.920 4.678 ( 3.725 16.674 0.190) 17.086 4.927 ( 0.942 -6.979 -2.122) 7.355 5.148 ( 0.462 8.324 -1.225) 8.426 5.351 ( -1.195 -11.248 -1.355) 11.393 5.488 ( 1.535 5.872 3.402) 6.957 5.622 ( -1.139 -1.517 0.686) 2.017 5.732 ( -1.731 -5.390 -4.433) 7.190 5.763 ( 2.533 -6.439 0.680) 6.953 6.359 ( -4.550 6.398 -1.644) 8.021 6.426 ( 0.159 -0.429 3.484) 3.514 6.975 ( 6.631 -0.747 -0.670) 6.707 7.036 ( 0.465 -7.018 2.890) 7.604 7.641 ( -4.715 8.358 -3.340) 10.161 7.782 ( -5.108 -6.064 -1.132) 8.009 8.500 ( 6.137 6.001 -2.264) 8.877 8.524 ( 4.055 2.585 -2.825) 5.577 8.816 ( 3.726 4.153 1.279) 5.724 8.975 ( 12.530 -10.895 0.262) 16.606 9.871 ( 5.218 5.677 -0.018) 7.711 9.998 ( 4.866 -7.293 0.391) 8.776 10.679 ( -11.546 10.353 -2.763) 15.752 10.854 ( -12.877 -7.998 -1.568) 15.239 11.467 ( -1.617 5.520 3.157) 6.562 11.545 ( -4.023 -0.997 1.120) 4.293 11.757 ( 0.642 0.210 -0.856) 1.091 11.835 ( -0.412 -7.533 -0.965) 7.606 12.524 ( 1.654 3.525 2.023) 4.388 12.605 ( 1.049 -4.647 1.568) 5.015 13.320 ( 3.410 7.371 -0.096) 8.123 13.421 ( 3.306 -2.987 -0.405) 4.474 17.906 ( -0.279 3.725 -0.136) 3.738 17.988 ( -2.311 -4.572 0.350) 5.135 22.978 ( -4.154 7.470 1.633) 8.702 23.139 ( -5.028 -8.773 1.723) 10.258 23.861 ( -7.028 6.907 -2.588) 10.189 24.015 ( -9.720 -9.542 -2.282) 13.811 25.894 ( 13.385 8.293 -3.148) 16.058 26.025 ( 13.890 -5.572 0.229) 14.968 ======================= Grid point 202 (111/185) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 5.143 6.683 0.914) 8.482 2.205 ( 5.911 4.607 -1.179) 7.587 2.381 ( 3.784 1.413 -2.107) 4.556 2.442 ( -0.680 -2.580 0.030) 2.668 2.474 ( -4.427 7.410 1.745) 8.807 2.633 ( 6.342 -2.597 0.674) 6.886 2.677 ( -3.937 -1.741 0.972) 4.413 2.777 ( 2.810 -6.892 3.229) 8.114 3.056 ( -2.785 1.628 2.534) 4.102 3.128 ( 0.418 -5.941 3.358) 6.837 3.577 ( -1.001 9.869 1.714) 10.067 3.753 ( -1.542 -5.525 -1.147) 5.850 3.885 ( -3.822 0.265 0.333) 3.846 3.900 ( -3.955 -1.167 1.131) 4.276 4.226 ( 2.369 6.781 -0.992) 7.251 4.321 ( 3.533 -2.545 -0.241) 4.361 4.724 ( 1.728 13.789 -0.024) 13.897 4.917 ( 0.539 -3.420 -2.438) 4.235 5.134 ( -1.209 4.698 -1.181) 4.992 5.312 ( -0.968 -11.550 -1.825) 11.734 5.530 ( -0.852 8.349 4.685) 9.611 5.572 ( -3.628 4.181 -3.560) 6.582 5.661 ( -1.334 -4.197 -6.222) 7.622 5.798 ( -0.462 -12.552 2.270) 12.764 6.270 ( -3.915 10.273 -0.251) 10.996 6.434 ( -0.624 -6.013 1.195) 6.162 7.058 ( 3.856 1.882 0.870) 4.378 7.140 ( 5.417 -5.746 6.154) 10.012 7.555 ( -2.049 6.934 -3.174) 7.897 7.686 ( -4.478 -6.343 -1.520) 7.912 8.559 ( 2.642 2.945 -2.047) 4.455 8.579 ( 4.225 0.658 -2.243) 4.828 8.877 ( 1.740 13.544 0.341) 13.659 9.149 ( 6.470 -13.595 -0.141) 15.056 9.991 ( 7.285 4.531 0.746) 8.611 10.090 ( 4.044 -5.145 1.823) 6.794 10.509 ( -4.628 7.221 -2.392) 8.904 10.652 ( -7.928 -7.340 -1.482) 10.905 11.445 ( -2.807 2.979 0.649) 4.145 11.470 ( -4.375 0.743 -0.061) 4.438 11.759 ( 0.434 0.647 -0.244) 0.817 11.831 ( 0.970 -6.331 -0.720) 6.445 12.560 ( 0.461 2.199 2.348) 3.250 12.622 ( -0.360 -3.914 1.322) 4.147 13.372 ( 1.761 7.447 1.039) 7.723 13.469 ( 1.991 -2.649 0.332) 3.330 17.903 ( 0.032 2.070 -0.364) 2.102 17.953 ( -1.595 -3.064 0.073) 3.455 22.935 ( -1.863 6.628 1.170) 6.983 23.083 ( -2.316 -8.322 1.012) 8.697 23.754 ( -2.848 5.053 -2.491) 6.313 23.865 ( -5.175 -6.827 -2.302) 8.870 26.051 ( 6.554 9.958 -2.304) 12.142 26.218 ( 7.318 -7.463 0.565) 10.467 ======================= Grid point 203 (112/185) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -4.329 11.654 1.032) 12.475 2.312 ( 0.850 -1.684 -0.979) 2.125 2.370 ( 0.866 6.114 1.032) 6.261 2.430 ( -3.324 3.400 2.086) 5.193 2.470 ( 4.620 0.198 -2.145) 5.097 2.599 ( -1.921 -8.613 -0.983) 8.879 2.796 ( 7.716 5.767 0.883) 9.674 2.893 ( 6.327 -2.093 2.338) 7.062 3.087 ( 3.492 1.684 2.884) 4.833 3.219 ( 6.119 -9.489 2.964) 11.674 3.574 ( -1.354 8.108 3.592) 8.971 3.715 ( -1.956 -4.409 0.273) 4.831 3.807 ( -3.050 1.483 -1.894) 3.884 3.854 ( -1.999 -2.798 1.112) 3.614 4.228 ( -1.519 7.031 -1.332) 7.315 4.349 ( -0.521 -4.321 -0.164) 4.356 4.748 ( 0.219 11.953 0.969) 11.994 4.912 ( 0.520 -3.487 -2.665) 4.419 5.108 ( 0.006 5.091 -0.612) 5.128 5.290 ( -0.801 -11.890 -1.280) 11.985 5.453 ( -5.455 8.311 -3.509) 10.542 5.529 ( -2.329 7.135 2.073) 7.787 5.597 ( -0.687 -4.411 -5.806) 7.324 5.781 ( -3.283 -12.812 3.240) 13.617 6.221 ( -2.022 11.369 0.215) 11.550 6.435 ( -0.128 -10.191 0.285) 10.195 7.140 ( 4.388 6.856 1.337) 8.249 7.273 ( 3.560 -5.350 6.544) 9.172 7.534 ( 2.703 2.432 -2.812) 4.597 7.611 ( -2.211 -4.559 -1.903) 5.413 8.569 ( 0.011 3.976 -1.626) 4.296 8.626 ( 2.553 -1.233 -2.326) 3.667 8.865 ( -3.144 16.963 -0.225) 17.253 9.186 ( -2.103 -15.228 -0.559) 15.383 10.062 ( -0.954 4.432 0.650) 4.580 10.155 ( 0.879 -4.918 1.872) 5.335 10.504 ( 6.359 4.598 -2.659) 8.285 10.608 ( 5.325 -5.953 -1.530) 8.133 11.384 ( -3.194 1.790 -0.600) 3.710 11.409 ( -2.981 -0.637 0.681) 3.123 11.779 ( 2.036 2.783 0.093) 3.449 11.857 ( 2.486 -4.962 -0.920) 5.626 12.570 ( -1.641 1.080 2.724) 3.358 12.614 ( -1.671 -3.060 1.293) 3.718 13.392 ( -0.511 7.463 1.266) 7.586 13.490 ( 0.022 -2.776 0.430) 2.809 17.897 ( -0.461 1.819 -0.398) 1.919 17.943 ( 0.402 -2.874 0.100) 2.904 22.931 ( 0.537 6.553 1.161) 6.677 23.078 ( 0.938 -8.373 0.936) 8.477 23.727 ( 1.862 4.077 -2.569) 5.166 23.807 ( 0.629 -4.569 -2.270) 5.140 26.082 ( -1.283 11.235 -2.007) 11.485 26.282 ( -0.472 -9.666 0.294) 9.682 ======================= Grid point 204 (113/185) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -6.286 13.391 1.322) 14.852 2.272 ( -1.867 -4.564 -1.133) 5.059 2.337 ( -5.762 8.738 -0.106) 10.467 2.409 ( -1.830 1.012 0.930) 2.289 2.552 ( 5.719 0.139 -1.648) 5.953 2.609 ( 4.502 -6.013 -1.371) 7.636 2.908 ( 5.177 8.150 -1.426) 9.760 3.010 ( 5.887 0.468 -0.043) 5.906 3.196 ( 5.601 1.959 3.679) 6.981 3.330 ( 4.696 -6.233 -1.123) 7.884 3.578 ( -2.653 4.950 5.205) 7.658 3.675 ( -2.842 -4.178 -0.808) 5.117 3.803 ( 3.787 1.114 1.120) 4.103 3.879 ( 4.527 -2.646 0.970) 5.332 4.166 ( -4.101 5.851 0.457) 7.159 4.310 ( -3.602 -7.481 0.965) 8.359 4.725 ( -3.286 12.986 -0.016) 13.395 4.883 ( -1.481 -0.423 -2.764) 3.164 5.129 ( 1.840 2.119 -0.257) 2.818 5.248 ( -3.699 -10.166 -0.259) 10.821 5.355 ( -3.058 7.184 -1.146) 7.891 5.500 ( -1.093 1.209 -0.552) 1.721 5.564 ( 0.251 -0.857 -1.397) 1.658 5.753 ( -1.639 -11.580 2.169) 11.895 6.188 ( -2.303 11.484 0.679) 11.732 6.418 ( -2.334 -11.995 0.245) 12.223 7.217 ( 2.980 8.289 0.093) 8.809 7.339 ( -0.361 -2.757 3.442) 4.424 7.588 ( 4.614 0.162 -3.898) 6.042 7.635 ( 7.499 -4.631 0.554) 8.831 8.530 ( -3.573 7.953 -1.601) 8.865 8.611 ( -2.496 2.011 -3.262) 4.573 8.790 ( -4.121 9.528 0.326) 10.386 9.071 ( -9.760 -15.682 -1.275) 18.516 10.018 ( -3.192 4.717 -0.095) 5.697 10.122 ( -4.283 -5.883 0.233) 7.281 10.676 ( 13.944 4.517 -3.206) 15.004 10.773 ( 12.995 -5.459 -1.179) 14.144 11.342 ( -1.516 1.707 0.867) 2.442 11.382 ( -1.188 -2.370 2.531) 3.665 11.828 ( 3.334 3.671 -0.429) 4.978 11.892 ( 2.255 -3.085 -1.819) 4.232 12.542 ( -3.731 1.278 2.665) 4.760 12.589 ( -2.388 -3.118 1.884) 4.356 13.376 ( -1.932 7.409 0.610) 7.681 13.478 ( -1.411 -3.228 -0.166) 3.527 17.887 ( -0.197 3.370 -0.163) 3.380 17.963 ( 1.488 -4.374 0.390) 4.637 22.975 ( 3.247 6.938 1.649) 7.836 23.126 ( 3.241 -8.518 1.620) 9.257 23.782 ( 6.711 4.375 -2.813) 8.490 23.855 ( 6.788 -3.525 -2.178) 7.953 25.977 ( -8.773 11.837 -2.293) 14.911 26.202 ( -8.506 -11.774 -0.624) 14.539 ======================= Grid point 205 (114/185) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -9.033 15.396 -0.386) 17.855 2.170 ( -7.337 -0.690 -4.020) 8.394 2.295 ( 1.145 3.292 -1.418) 3.763 2.357 ( -3.509 -0.416 0.097) 3.535 2.637 ( 4.100 1.558 -0.002) 4.386 2.691 ( 5.058 -2.831 -2.464) 6.298 2.968 ( 3.790 6.796 -2.157) 8.075 3.085 ( 4.022 -1.567 -4.191) 6.016 3.334 ( 5.842 3.697 5.270) 8.692 3.385 ( 4.319 2.614 -2.567) 5.663 3.550 ( -4.541 -0.522 4.962) 6.746 3.609 ( -2.460 -4.559 -2.317) 5.675 3.899 ( 1.137 3.614 3.247) 4.990 3.980 ( 4.565 1.178 2.115) 5.168 4.169 ( 5.345 1.324 2.065) 5.881 4.268 ( -1.150 -8.458 1.993) 8.765 4.650 ( -4.129 13.152 -0.986) 13.820 4.826 ( -2.567 0.356 -2.357) 3.503 5.123 ( -4.748 -2.209 0.838) 5.303 5.173 ( -3.194 -5.897 1.403) 6.851 5.332 ( 0.578 4.561 -0.278) 4.606 5.489 ( -0.455 -6.684 1.491) 6.863 5.583 ( 1.987 4.726 0.456) 5.147 5.771 ( 2.627 -10.224 0.277) 10.559 6.150 ( -2.903 10.061 1.820) 10.628 6.356 ( -5.112 -10.990 1.228) 12.182 7.231 ( -0.193 6.339 -2.753) 6.914 7.330 ( -0.931 -3.260 -1.621) 3.758 7.694 ( 9.696 4.541 -2.471) 10.988 7.798 ( 9.438 -6.270 0.360) 11.337 8.396 ( -9.711 13.529 -2.106) 16.786 8.515 ( -4.882 2.980 -2.871) 6.399 8.744 ( -2.299 -1.983 0.971) 3.187 8.853 ( -12.533 -12.092 -1.449) 17.476 9.961 ( -2.590 3.530 -1.572) 4.652 10.043 ( -4.059 -4.748 -0.956) 6.319 10.900 ( 14.012 5.806 -3.938) 15.670 11.013 ( 14.526 -5.798 -0.611) 15.652 11.347 ( 0.431 2.140 3.201) 3.875 11.405 ( 0.488 -3.820 4.926) 6.253 11.861 ( 0.239 2.517 -2.724) 3.716 11.901 ( 0.342 -1.766 -1.535) 2.365 12.490 ( -3.755 3.026 2.239) 5.317 12.561 ( -2.404 -3.866 2.218) 5.064 13.339 ( -2.025 7.142 -0.791) 7.466 13.443 ( -1.776 -3.655 -1.403) 4.299 17.889 ( 0.367 5.022 0.251) 5.041 17.996 ( 1.614 -5.883 0.853) 6.159 23.062 ( 4.550 6.696 2.190) 8.386 23.207 ( 3.674 -8.209 3.184) 9.540 23.921 ( 11.823 5.668 -3.293) 13.519 24.008 ( 12.338 -3.392 -2.564) 13.050 25.751 ( -14.151 11.267 -2.820) 18.307 25.981 ( -15.360 -12.879 -1.579) 20.107 ======================= Grid point 206 (115/185) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -6.500 16.705 -1.106) 17.959 2.009 ( -6.064 1.897 -5.143) 8.175 2.276 ( -2.405 -0.152 -2.681) 3.605 2.326 ( 1.028 -0.207 -1.829) 2.109 2.671 ( 0.168 3.037 -1.885) 3.578 2.724 ( 2.064 -0.585 -5.507) 5.910 3.015 ( 1.937 1.710 -0.454) 2.623 3.084 ( 0.681 -3.732 -7.168) 8.111 3.388 ( -0.839 5.182 -0.148) 5.252 3.482 ( 1.424 -3.912 1.169) 4.324 3.533 ( 3.277 5.694 5.469) 8.548 3.605 ( 2.405 -1.186 1.230) 2.950 3.886 ( -3.024 7.621 5.082) 9.646 4.044 ( -0.363 -3.187 2.649) 4.160 4.281 ( 4.279 4.444 1.156) 6.276 4.358 ( 7.224 -6.317 1.995) 9.802 4.592 ( -1.794 12.422 0.699) 12.570 4.764 ( -2.298 1.689 -2.364) 3.704 5.021 ( -6.255 -5.151 3.232) 8.724 5.138 ( -2.316 -11.029 0.601) 11.285 5.366 ( 2.779 5.069 1.726) 6.033 5.517 ( 1.725 -7.356 3.283) 8.238 5.615 ( 0.871 8.422 -0.520) 8.483 5.830 ( 3.699 -10.551 -1.438) 11.272 6.129 ( -1.143 6.705 3.442) 7.623 6.274 ( -5.270 -7.934 2.862) 9.945 7.178 ( -1.787 5.544 -6.143) 8.465 7.290 ( -0.519 -5.445 -5.495) 7.753 7.858 ( 9.977 4.870 -2.306) 11.339 7.944 ( 6.451 -3.875 -0.564) 7.546 8.211 ( -8.167 12.113 -1.809) 14.720 8.390 ( -6.849 -3.216 -1.921) 7.807 8.647 ( -7.649 -1.441 0.228) 7.787 8.730 ( -1.881 -6.539 1.140) 6.899 9.903 ( -1.980 2.594 -2.934) 4.388 9.971 ( -2.832 -4.151 -1.892) 5.370 11.094 ( 10.727 9.230 -3.337) 14.539 11.254 ( 12.450 -6.820 -0.168) 14.197 11.408 ( 3.191 2.079 4.850) 6.167 11.465 ( 1.392 -3.950 6.253) 7.526 11.781 ( -5.715 3.550 -3.886) 7.769 11.865 ( -4.068 -5.203 -1.055) 6.688 12.456 ( -1.568 4.342 1.421) 4.830 12.539 ( -1.742 -3.939 1.550) 4.577 13.297 ( -1.314 6.751 -2.504) 7.319 13.400 ( -1.248 -3.919 -2.722) 4.932 17.902 ( 0.537 6.140 0.635) 6.196 18.028 ( 1.063 -6.831 1.248) 7.025 23.145 ( 2.400 6.380 2.377) 7.219 23.289 ( 1.691 -8.309 4.954) 9.820 24.137 ( 14.689 6.810 -3.682) 16.604 24.235 ( 15.795 -3.082 -4.198) 16.631 25.468 ( -14.274 9.093 -3.026) 17.192 25.667 ( -17.706 -12.077 -1.583) 21.491 ======================= Grid point 243 (116/185) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -4.914 0.000 -13.889) 14.732 1.427 ( -6.158 0.000 22.367) 23.199 1.780 ( 2.277 0.000 18.367) 18.508 2.048 ( 8.142 0.000 7.784) 11.264 2.256 ( 2.384 0.000 -1.358) 2.744 2.477 ( 2.119 0.000 2.402) 3.203 2.817 ( 0.672 0.000 -1.001) 1.206 2.983 ( -3.334 0.000 -0.504) 3.372 3.107 ( -0.774 0.000 -2.400) 2.522 3.225 ( 5.806 0.000 -0.072) 5.807 3.380 ( -1.997 0.000 -1.971) 2.806 3.490 ( -0.638 0.000 2.704) 2.779 3.648 ( -0.656 0.000 -13.287) 13.303 3.949 ( 1.046 0.000 0.127) 1.053 3.973 ( 0.552 0.000 -1.586) 1.680 4.184 ( -3.709 0.000 -5.911) 6.978 4.394 ( -4.886 0.000 1.208) 5.033 4.651 ( 4.507 0.000 0.024) 4.507 5.314 ( -0.418 0.000 -2.763) 2.795 5.587 ( 4.155 0.000 2.188) 4.696 5.635 ( -0.389 0.000 -1.580) 1.627 5.750 ( -0.773 0.000 -0.182) 0.794 5.851 ( -0.677 0.000 -3.941) 3.999 6.085 ( 13.164 0.000 3.572) 13.640 6.231 ( -11.744 0.000 -0.966) 11.784 6.806 ( 0.969 0.000 0.944) 1.353 7.177 ( -4.714 0.000 -0.290) 4.723 7.359 ( 2.233 0.000 6.111) 6.506 7.531 ( -0.010 0.000 -0.816) 0.816 7.670 ( 5.858 0.000 3.387) 6.767 7.956 ( 2.729 0.000 -9.392) 9.780 8.515 ( -0.244 0.000 0.371) 0.444 8.930 ( -9.644 0.000 -0.148) 9.645 9.198 ( -0.057 0.000 10.995) 10.995 9.740 ( 0.061 0.000 -4.932) 4.932 9.804 ( -0.888 0.000 -2.105) 2.284 10.189 ( 0.480 0.000 0.187) 0.515 11.234 ( -0.059 0.000 -0.464) 0.468 11.413 ( -0.210 0.000 -0.141) 0.253 11.684 ( 1.788 0.000 0.848) 1.979 11.807 ( 0.729 0.000 -1.815) 1.956 12.302 ( -1.227 0.000 0.598) 1.364 12.459 ( 0.105 0.000 -0.804) 0.811 12.549 ( 0.190 0.000 0.261) 0.323 13.211 ( 5.609 0.000 9.348) 10.902 13.582 ( -4.590 0.000 -8.675) 9.815 17.677 ( 0.524 0.000 -0.035) 0.525 18.413 ( -0.484 0.000 1.045) 1.152 23.006 ( -0.418 0.000 -0.300) 0.514 23.084 ( 0.096 0.000 0.001) 0.096 23.659 ( -0.002 0.000 -0.377) 0.377 24.035 ( 11.267 0.000 0.040) 11.267 25.171 ( 0.879 0.000 0.493) 1.008 26.898 ( -11.152 0.000 -0.525) 11.165 ======================= Grid point 244 (117/185) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 4.171 0.000 -4.872) 6.413 1.582 ( 3.999 0.000 20.827) 21.208 1.925 ( 1.676 0.000 9.735) 9.878 2.208 ( 14.213 0.000 -11.932) 18.557 2.282 ( 2.447 0.000 -3.563) 4.322 2.619 ( 3.178 0.000 8.373) 8.956 2.794 ( -1.406 0.000 -0.899) 1.669 2.891 ( -7.081 0.000 1.663) 7.274 3.044 ( -2.825 0.000 -0.701) 2.911 3.295 ( 2.323 0.000 -3.627) 4.307 3.383 ( 4.405 0.000 -0.237) 4.412 3.493 ( -0.470 0.000 2.274) 2.322 3.567 ( 2.702 0.000 -11.469) 11.783 3.875 ( -9.044 0.000 -0.422) 9.054 3.987 ( 1.045 0.000 -0.771) 1.299 4.146 ( 2.315 0.000 -0.748) 2.433 4.296 ( -7.156 0.000 2.628) 7.624 4.744 ( 6.049 0.000 -1.645) 6.269 5.271 ( -2.405 0.000 -1.330) 2.748 5.625 ( 0.157 0.000 -0.818) 0.833 5.668 ( -0.319 0.000 -0.472) 0.570 5.733 ( 5.116 0.000 0.245) 5.122 5.881 ( 4.898 0.000 -2.570) 5.531 5.982 ( -11.417 0.000 -3.180) 11.852 6.317 ( 6.616 0.000 3.532) 7.499 6.935 ( 13.314 0.000 -0.143) 13.315 6.943 ( -19.822 0.000 1.366) 19.869 7.347 ( -9.176 0.000 2.134) 9.421 7.549 ( 2.584 0.000 -0.458) 2.625 7.743 ( 1.991 0.000 5.215) 5.582 7.881 ( -2.571 0.000 -10.256) 10.573 8.498 ( -2.106 0.000 0.705) 2.221 9.021 ( 14.596 0.000 3.383) 14.983 9.231 ( -5.053 0.000 8.324) 9.737 9.679 ( -1.360 0.000 -5.863) 6.019 9.792 ( -0.354 0.000 0.792) 0.867 10.224 ( 3.423 0.000 -0.467) 3.455 11.227 ( -0.417 0.000 -0.220) 0.471 11.414 ( 0.192 0.000 -0.061) 0.202 11.661 ( -4.022 0.000 -1.263) 4.215 11.804 ( 0.876 0.000 -1.503) 1.740 12.354 ( 5.033 0.000 1.591) 5.279 12.444 ( -1.074 0.000 -0.466) 1.171 12.570 ( 1.771 0.000 -0.134) 1.776 13.264 ( -8.866 0.000 5.735) 10.560 13.423 ( -2.787 0.000 -4.816) 5.564 17.698 ( 2.014 0.000 -0.449) 2.063 18.391 ( -2.916 0.000 1.055) 3.101 22.973 ( -2.045 0.000 -0.602) 2.132 23.094 ( 1.034 0.000 -0.087) 1.038 23.646 ( -1.113 0.000 -0.228) 1.136 24.331 ( 23.792 0.000 -10.028) 25.819 25.170 ( -1.490 0.000 -0.150) 1.498 26.679 ( -16.040 0.000 9.839) 18.818 ======================= Grid point 245 (118/185) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 12.560 0.000 3.204) 12.963 1.806 ( 5.766 0.000 12.710) 13.956 1.981 ( 0.569 0.000 0.832) 1.008 2.282 ( 0.504 0.000 -4.025) 4.057 2.403 ( 13.849 0.000 -9.069) 16.554 2.519 ( -10.218 0.000 -8.849) 13.517 2.742 ( -10.164 0.000 -0.686) 10.187 2.812 ( 5.801 0.000 -4.297) 7.219 3.095 ( 5.227 0.000 4.980) 7.220 3.338 ( 4.540 0.000 0.045) 4.540 3.456 ( 2.985 0.000 -1.089) 3.178 3.529 ( 2.864 0.000 0.226) 2.873 3.595 ( 6.104 0.000 1.101) 6.203 3.685 ( -10.732 0.000 0.394) 10.740 3.979 ( -1.535 0.000 -0.046) 1.536 4.197 ( -5.976 0.000 2.525) 6.487 4.214 ( 4.317 0.000 2.197) 4.844 4.820 ( 4.157 0.000 -2.991) 5.121 5.223 ( -2.702 0.000 0.651) 2.779 5.617 ( -1.254 0.000 0.535) 1.364 5.649 ( -0.595 0.000 1.969) 2.057 5.796 ( -5.913 0.000 -4.590) 7.485 5.867 ( 10.072 0.000 -5.829) 11.637 5.955 ( 4.096 0.000 0.808) 4.175 6.376 ( -0.839 0.000 0.948) 1.266 6.551 ( -24.937 0.000 1.692) 24.995 7.134 ( -13.911 0.000 -0.184) 13.912 7.245 ( 20.595 0.000 0.045) 20.595 7.608 ( 4.095 0.000 -0.195) 4.100 7.661 ( -10.890 0.000 -4.258) 11.693 7.890 ( 6.366 0.000 0.964) 6.438 8.457 ( -3.149 0.000 0.948) 3.289 9.127 ( -11.288 0.000 2.493) 11.560 9.357 ( 18.018 0.000 4.075) 18.473 9.636 ( -0.552 0.000 -0.619) 0.830 9.795 ( -0.014 0.000 0.617) 0.617 10.299 ( 5.794 0.000 -0.969) 5.875 11.217 ( -0.641 0.000 0.022) 0.641 11.418 ( 0.458 0.000 0.268) 0.530 11.529 ( -9.418 0.000 -3.307) 9.982 11.828 ( 3.110 0.000 -1.237) 3.347 12.422 ( -0.981 0.000 -0.133) 0.990 12.439 ( 1.958 0.000 1.282) 2.341 12.601 ( 1.896 0.000 -0.499) 1.961 13.110 ( -6.033 0.000 1.234) 6.158 13.392 ( -2.326 0.000 1.628) 2.839 17.742 ( 3.478 0.000 -0.726) 3.553 18.329 ( -4.954 0.000 0.919) 5.039 22.940 ( -0.620 0.000 -1.812) 1.916 23.117 ( 1.666 0.000 -0.193) 1.677 23.619 ( -1.821 0.000 -0.057) 1.821 24.630 ( 18.831 0.000 -15.685) 24.508 25.091 ( -7.371 0.000 0.134) 7.372 26.554 ( -7.602 0.000 15.809) 17.542 ======================= Grid point 246 (119/185) ======================= q-point: ( 0.33 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 14.950 0.000 5.708) 16.003 1.923 ( 1.984 0.000 -9.677) 9.878 1.979 ( 1.393 0.000 -4.865) 5.061 2.207 ( -7.293 0.000 -3.292) 8.002 2.230 ( -11.545 0.000 3.392) 12.033 2.517 ( 1.280 0.000 -1.894) 2.286 2.573 ( -6.399 0.000 -0.801) 6.449 2.971 ( 15.293 0.000 -8.597) 17.544 3.220 ( 6.597 0.000 -0.106) 6.598 3.364 ( -8.218 0.000 1.345) 8.327 3.450 ( 3.847 0.000 -3.354) 5.104 3.601 ( 6.694 0.000 -2.952) 7.316 3.604 ( 0.626 0.000 1.354) 1.492 3.752 ( 3.134 0.000 9.299) 9.813 3.970 ( 1.981 0.000 3.748) 4.239 4.140 ( -1.492 0.000 0.739) 1.665 4.331 ( 6.155 0.000 4.952) 7.900 4.840 ( 0.958 0.000 -3.168) 3.310 5.167 ( -4.477 0.000 -0.958) 4.578 5.600 ( -1.084 0.000 3.201) 3.380 5.670 ( -0.369 0.000 3.543) 3.562 5.713 ( -0.370 0.000 -4.366) 4.381 5.952 ( 3.032 0.000 -4.700) 5.593 6.011 ( -1.248 0.000 -8.224) 8.318 6.175 ( -13.861 0.000 9.182) 16.627 6.332 ( -3.434 0.000 -1.369) 3.697 6.892 ( -11.921 0.000 -2.801) 12.246 7.417 ( -11.513 0.000 -5.382) 12.709 7.605 ( 16.536 0.000 0.640) 16.549 7.692 ( 8.120 0.000 -0.329) 8.127 8.011 ( 5.126 0.000 3.494) 6.203 8.404 ( -3.355 0.000 0.274) 3.366 8.890 ( -15.803 0.000 -0.719) 15.820 9.642 ( 0.141 0.000 2.358) 2.362 9.661 ( 13.015 0.000 2.648) 13.282 9.800 ( 0.262 0.000 0.177) 0.317 10.413 ( 7.689 0.000 -0.560) 7.710 11.206 ( -0.586 0.000 0.159) 0.608 11.283 ( -14.421 0.000 -4.367) 15.067 11.445 ( 2.056 0.000 1.188) 2.374 11.887 ( 4.227 0.000 -1.080) 4.363 12.409 ( -0.500 0.000 0.080) 0.506 12.445 ( -0.991 0.000 0.493) 1.107 12.626 ( 1.351 0.000 -0.709) 1.526 13.112 ( 2.884 0.000 3.131) 4.257 13.346 ( -4.054 0.000 1.355) 4.274 17.809 ( 4.659 0.000 -0.644) 4.703 18.236 ( -6.074 0.000 0.636) 6.108 22.924 ( 0.595 0.000 -2.554) 2.623 23.146 ( 1.647 0.000 -0.277) 1.670 23.586 ( -1.746 0.000 0.065) 1.747 24.638 ( -6.292 0.000 -13.181) 14.606 25.032 ( 3.667 0.000 -1.393) 3.922 26.640 ( 2.651 0.000 15.045) 15.277 ======================= Grid point 247 (120/185) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 12.177 0.000 5.764) 13.473 1.677 ( -11.128 0.000 -19.004) 22.022 1.935 ( -8.184 0.000 -3.049) 8.734 2.013 ( -3.341 0.000 -6.884) 7.652 2.243 ( -0.436 0.000 14.103) 14.110 2.496 ( -1.248 0.000 -1.586) 2.018 2.525 ( -0.948 0.000 2.523) 2.695 3.104 ( 6.164 0.000 -8.465) 10.471 3.216 ( -5.828 0.000 -0.733) 5.874 3.326 ( 6.446 0.000 -2.523) 6.922 3.492 ( 2.349 0.000 -2.571) 3.483 3.633 ( 1.118 0.000 -0.125) 1.125 3.644 ( -4.348 0.000 2.247) 4.894 3.838 ( 6.203 0.000 2.324) 6.624 4.120 ( 6.476 0.000 0.343) 6.486 4.174 ( 6.058 0.000 3.059) 6.786 4.509 ( 8.451 0.000 7.901) 11.569 4.810 ( -2.707 0.000 -1.027) 2.895 5.038 ( -6.984 0.000 -5.668) 8.995 5.623 ( -8.611 0.000 2.109) 8.865 5.653 ( 2.646 0.000 6.091) 6.641 5.689 ( 0.575 0.000 -3.533) 3.580 5.800 ( -4.832 0.000 -1.895) 5.191 5.939 ( -3.530 0.000 1.322) 3.769 6.248 ( 8.332 0.000 0.037) 8.332 6.252 ( -3.376 0.000 -2.824) 4.402 6.680 ( -9.343 0.000 -3.342) 9.922 7.219 ( -6.620 0.000 -3.021) 7.277 7.708 ( 1.801 0.000 -0.093) 1.803 7.975 ( 15.614 0.000 0.389) 15.619 8.120 ( 4.160 0.000 4.009) 5.777 8.345 ( -2.926 0.000 -1.228) 3.173 8.591 ( -16.225 0.000 -0.459) 16.232 9.668 ( 0.599 0.000 2.601) 2.669 9.807 ( 0.714 0.000 -0.398) 0.817 9.853 ( 8.954 0.000 -1.675) 9.109 10.548 ( 6.773 0.000 0.267) 6.779 11.006 ( -11.800 0.000 -3.621) 12.343 11.201 ( -0.149 0.000 0.159) 0.218 11.494 ( 1.957 0.000 1.178) 2.284 11.948 ( 2.753 0.000 -0.108) 2.755 12.405 ( -0.034 0.000 0.121) 0.126 12.430 ( -1.139 0.000 0.468) 1.232 12.637 ( 0.525 0.000 -0.739) 0.906 13.187 ( -1.717 0.000 7.301) 7.500 13.295 ( 1.159 0.000 -2.827) 3.056 17.883 ( 3.275 0.000 -0.283) 3.287 18.141 ( -4.115 0.000 0.357) 4.131 22.918 ( 0.763 0.000 -2.486) 2.600 23.166 ( 0.705 0.000 -0.288) 0.762 23.564 ( -0.643 0.000 0.072) 0.647 24.381 ( -11.156 0.000 -6.059) 12.695 25.102 ( 4.645 0.000 -4.099) 6.195 26.815 ( 5.276 0.000 10.475) 11.729 ======================= Grid point 248 (121/185) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -11.430 0.000 -6.693) 13.245 1.529 ( 1.292 0.000 5.867) 6.007 1.682 ( -13.525 0.000 -2.773) 13.807 2.026 ( 6.915 0.000 -4.672) 8.346 2.313 ( -5.134 0.000 13.313) 14.268 2.472 ( 1.248 0.000 -2.272) 2.592 2.536 ( -0.607 0.000 2.978) 3.039 3.080 ( -1.067 0.000 -7.314) 7.392 3.196 ( 4.254 0.000 -0.165) 4.257 3.393 ( 3.855 0.000 -6.992) 7.985 3.491 ( -0.288 0.000 -2.456) 2.473 3.537 ( -9.494 0.000 6.094) 11.282 3.635 ( -0.179 0.000 -0.825) 0.844 3.964 ( 6.605 0.000 -2.174) 6.953 4.164 ( 2.878 0.000 -5.023) 5.789 4.291 ( 1.376 0.000 -0.209) 1.392 4.725 ( 7.035 0.000 8.796) 11.263 4.742 ( -4.924 0.000 3.225) 5.886 4.864 ( -4.580 0.000 -8.471) 9.630 5.572 ( 3.395 0.000 3.509) 4.882 5.673 ( 0.240 0.000 -2.929) 2.939 5.746 ( 2.435 0.000 3.945) 4.636 5.762 ( -1.516 0.000 1.548) 2.166 5.873 ( -5.809 0.000 2.959) 6.519 6.194 ( -0.456 0.000 -1.643) 1.705 6.377 ( 7.813 0.000 -6.969) 10.470 6.557 ( -2.776 0.000 4.556) 5.335 7.143 ( -0.931 0.000 -0.305) 0.979 7.714 ( -0.845 0.000 -0.385) 0.929 8.025 ( -13.152 0.000 -2.042) 13.309 8.223 ( 4.285 0.000 3.851) 5.761 8.282 ( -2.363 0.000 -2.964) 3.791 8.485 ( 6.551 0.000 4.177) 7.769 9.698 ( 0.855 0.000 1.854) 2.042 9.820 ( 1.497 0.000 -1.343) 2.011 9.969 ( 8.155 0.000 -7.306) 10.949 10.564 ( -6.315 0.000 -0.572) 6.341 10.930 ( 6.253 0.000 0.898) 6.317 11.204 ( 0.473 0.000 0.021) 0.473 11.521 ( 0.569 0.000 0.075) 0.574 11.958 ( -2.146 0.000 -0.394) 2.182 12.406 ( -2.329 0.000 1.036) 2.549 12.409 ( 0.338 0.000 -0.006) 0.338 12.633 ( -0.353 0.000 -0.601) 0.697 13.123 ( -8.722 0.000 5.753) 10.448 13.371 ( 6.996 0.000 -1.857) 7.238 17.877 ( -3.762 0.000 -0.078) 3.763 18.140 ( 3.693 0.000 0.416) 3.716 22.909 ( 0.022 0.000 -1.889) 1.889 23.164 ( -0.723 0.000 -0.201) 0.750 23.567 ( 0.980 0.000 -0.059) 0.982 24.214 ( -5.292 0.000 0.788) 5.350 25.113 ( 0.289 0.000 -4.379) 4.388 26.962 ( 5.101 0.000 4.084) 6.534 ======================= Grid point 249 (122/185) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -7.094 0.000 11.362) 13.394 1.445 ( -9.779 0.000 -6.077) 11.513 1.513 ( -7.379 0.000 9.338) 11.901 2.140 ( 5.656 0.000 0.854) 5.720 2.220 ( -15.945 0.000 12.896) 20.507 2.532 ( 5.487 0.000 0.820) 5.548 2.573 ( 4.710 0.000 0.558) 4.743 2.983 ( -2.703 0.000 -9.957) 10.317 3.292 ( -8.094 0.000 -7.253) 10.868 3.325 ( 7.171 0.000 1.272) 7.283 3.451 ( -1.786 0.000 -1.755) 2.504 3.462 ( -3.523 0.000 3.978) 5.314 3.632 ( 1.627 0.000 -1.157) 1.996 4.014 ( 1.224 0.000 -4.417) 4.584 4.165 ( 0.713 0.000 -6.469) 6.508 4.254 ( 0.838 0.000 -3.492) 3.591 4.645 ( -6.881 0.000 -8.368) 10.834 4.694 ( -4.550 0.000 4.993) 6.755 4.993 ( 10.530 0.000 6.582) 12.417 5.652 ( -0.326 0.000 -2.261) 2.285 5.683 ( -3.174 0.000 3.594) 4.795 5.751 ( -1.352 0.000 1.643) 2.128 5.772 ( 0.081 0.000 -2.192) 2.193 5.845 ( 6.134 0.000 4.073) 7.363 6.229 ( 3.766 0.000 2.364) 4.446 6.455 ( 8.568 0.000 -3.208) 9.149 6.662 ( 7.994 0.000 7.146) 10.722 7.173 ( 2.771 0.000 3.569) 4.519 7.657 ( -15.462 0.000 -1.583) 15.543 7.690 ( -9.685 0.000 -0.549) 9.700 8.203 ( -3.186 0.000 -4.404) 5.436 8.336 ( 5.035 0.000 2.804) 5.763 8.701 ( 10.291 0.000 6.671) 12.264 9.723 ( 0.743 0.000 1.102) 1.329 9.839 ( 2.322 0.000 -2.908) 3.721 10.004 ( 3.558 0.000 -14.553) 14.982 10.415 ( -8.353 0.000 -0.083) 8.353 11.148 ( 14.211 0.000 3.849) 14.723 11.216 ( 0.868 0.000 -0.220) 0.895 11.520 ( -0.212 0.000 -0.891) 0.916 11.865 ( -6.633 0.000 -1.502) 6.801 12.371 ( -2.905 0.000 3.182) 4.309 12.417 ( 0.719 0.000 -0.220) 0.752 12.616 ( -1.118 0.000 -0.361) 1.174 13.001 ( -9.397 0.000 4.993) 10.641 13.482 ( 7.065 0.000 -1.671) 7.259 17.792 ( -4.948 0.000 0.014) 4.948 18.234 ( 5.585 0.000 0.670) 5.625 22.897 ( 0.130 0.000 -0.924) 0.933 23.141 ( -1.582 0.000 -0.077) 1.584 23.594 ( 1.975 0.000 -0.247) 1.991 24.183 ( -3.538 0.000 7.548) 8.335 25.066 ( -1.215 0.000 -3.397) 3.608 27.053 ( 5.127 0.000 -3.717) 6.333 ======================= Grid point 250 (123/185) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -7.306 0.000 -16.190) 17.762 1.289 ( -1.465 0.000 24.856) 24.899 1.496 ( -6.687 0.000 21.684) 22.691 1.990 ( -21.509 0.000 18.021) 28.061 2.203 ( 0.904 0.000 1.817) 2.029 2.654 ( 7.027 0.000 1.062) 7.106 2.725 ( 11.558 0.000 -0.359) 11.563 2.805 ( -5.831 0.000 -18.506) 19.403 3.124 ( -5.124 0.000 -0.381) 5.138 3.329 ( -5.209 0.000 -0.661) 5.251 3.450 ( -1.161 0.000 3.823) 3.995 3.453 ( -0.107 0.000 1.030) 1.036 3.722 ( 9.408 0.000 -1.420) 9.514 3.927 ( -5.707 0.000 -6.096) 8.350 4.095 ( -0.939 0.000 -8.231) 8.285 4.322 ( 7.317 0.000 -3.126) 7.957 4.469 ( -5.453 0.000 -9.297) 10.778 4.650 ( -4.732 0.000 5.161) 7.003 5.209 ( 8.461 0.000 4.022) 9.369 5.586 ( -6.508 0.000 2.899) 7.125 5.642 ( 0.848 0.000 -0.132) 0.858 5.737 ( -0.955 0.000 0.518) 1.086 5.749 ( 1.409 0.000 -4.616) 4.826 5.982 ( 2.103 0.000 0.766) 2.238 6.327 ( 3.877 0.000 3.189) 5.019 6.693 ( 19.990 0.000 -1.041) 20.017 6.929 ( 14.747 0.000 10.452) 18.076 7.260 ( -22.257 0.000 -0.644) 22.267 7.276 ( 3.245 0.000 8.178) 8.799 7.619 ( -3.397 0.000 -0.764) 3.482 8.102 ( -3.765 0.000 -5.790) 6.907 8.435 ( 4.090 0.000 1.557) 4.376 8.914 ( 7.154 0.000 8.948) 11.456 9.741 ( 0.568 0.000 0.482) 0.745 9.812 ( -12.148 0.000 -19.386) 22.878 9.852 ( 2.235 0.000 -4.703) 5.207 10.286 ( -6.169 0.000 -0.023) 6.169 11.229 ( 0.794 0.000 -0.464) 0.919 11.400 ( 7.918 0.000 1.760) 8.112 11.515 ( 2.722 0.000 -1.969) 3.360 11.773 ( -1.795 0.000 1.082) 2.096 12.372 ( -0.546 0.000 4.949) 4.979 12.431 ( 1.170 0.000 -0.440) 1.250 12.590 ( -1.615 0.000 -0.096) 1.618 12.899 ( -5.352 0.000 7.052) 8.853 13.587 ( 6.687 0.000 -3.359) 7.483 17.719 ( -3.260 0.000 0.186) 3.266 18.329 ( 4.287 0.000 0.843) 4.369 22.913 ( 2.320 0.000 -0.043) 2.320 23.112 ( -1.531 0.000 0.013) 1.531 23.627 ( 1.936 0.000 -0.393) 1.975 24.130 ( -11.033 0.000 10.066) 14.935 25.062 ( 2.764 0.000 -0.092) 2.765 27.086 ( 4.512 0.000 -10.443) 11.376 ======================= Grid point 251 (124/185) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -7.694 0.000 -17.380) 19.007 1.423 ( -8.101 0.000 23.461) 24.820 1.603 ( -0.857 0.000 23.101) 23.117 1.861 ( -6.526 0.000 24.351) 25.210 2.226 ( 1.150 0.000 0.575) 1.285 2.562 ( -4.639 0.000 -15.346) 16.032 2.773 ( 4.835 0.000 0.098) 4.836 2.926 ( 10.302 0.000 -1.041) 10.354 3.101 ( 1.261 0.000 -0.087) 1.264 3.221 ( -5.378 0.000 0.096) 5.379 3.430 ( -2.369 0.000 -0.076) 2.370 3.471 ( 0.027 0.000 3.427) 3.427 3.774 ( -4.617 0.000 -8.316) 9.512 3.873 ( 7.512 0.000 -1.108) 7.593 4.014 ( -1.671 0.000 -6.055) 6.282 4.315 ( -4.645 0.000 -8.253) 9.471 4.412 ( 4.007 0.000 -2.459) 4.702 4.615 ( -2.452 0.000 4.013) 4.703 5.315 ( 2.753 0.000 -1.632) 3.201 5.539 ( -1.267 0.000 3.290) 3.526 5.656 ( -0.357 0.000 -0.791) 0.867 5.736 ( 0.879 0.000 -0.106) 0.886 5.831 ( 10.898 0.000 1.176) 10.961 5.940 ( -4.055 0.000 -3.167) 5.145 6.372 ( -2.227 0.000 1.062) 2.468 6.917 ( -14.822 0.000 0.642) 14.836 7.037 ( 17.917 0.000 -2.646) 18.111 7.271 ( 9.750 0.000 5.977) 11.436 7.421 ( 8.632 0.000 12.653) 15.317 7.559 ( -2.356 0.000 -0.924) 2.530 8.000 ( -1.720 0.000 -6.914) 7.125 8.497 ( 2.013 0.000 0.587) 2.097 9.083 ( 3.652 0.000 10.665) 11.273 9.330 ( -25.001 0.000 -13.006) 28.182 9.750 ( 0.541 0.000 -0.674) 0.864 9.841 ( 0.753 0.000 -5.525) 5.576 10.207 ( -2.837 0.000 0.332) 2.857 11.235 ( 0.389 0.000 -0.570) 0.690 11.426 ( -0.824 0.000 -0.689) 1.074 11.606 ( 5.426 0.000 0.851) 5.492 11.794 ( 2.002 0.000 -0.779) 2.149 12.364 ( -4.313 0.000 1.507) 4.569 12.450 ( 1.340 0.000 -0.685) 1.505 12.562 ( -1.493 0.000 0.172) 1.503 12.994 ( 7.896 0.000 10.586) 13.206 13.647 ( 3.515 0.000 -6.634) 7.508 17.682 ( -1.214 0.000 0.222) 1.234 18.392 ( 2.039 0.000 0.963) 2.255 22.973 ( 3.903 0.000 -0.324) 3.917 23.091 ( -0.857 0.000 0.040) 0.858 23.652 ( 1.142 0.000 -0.441) 1.225 23.993 ( -9.137 0.000 8.225) 12.294 25.130 ( 3.052 0.000 1.432) 3.371 27.045 ( -0.973 0.000 -9.788) 9.836 ======================= Grid point 252 (125/185) ======================= q-point: ( 0.00 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -1.590 13.400 -7.084) 15.240 1.553 ( -5.820 12.099 15.344) 20.388 1.650 ( 6.252 -7.208 22.010) 23.989 2.256 ( -2.056 9.450 -5.951) 11.355 2.298 ( 3.506 9.059 1.179) 9.785 2.542 ( 3.735 5.774 5.157) 8.595 2.794 ( 1.059 -1.354 -1.232) 2.115 3.106 ( -2.591 6.247 0.317) 6.770 3.116 ( -2.295 6.276 -0.827) 6.733 3.238 ( 5.229 0.153 1.031) 5.331 3.345 ( 0.024 -1.633 0.714) 1.782 3.532 ( -1.532 3.626 -0.580) 3.979 3.644 ( 0.351 0.923 -10.084) 10.132 3.927 ( 2.040 -3.383 -1.325) 4.167 4.009 ( -0.040 4.359 -0.055) 4.359 4.224 ( -4.528 3.583 -6.763) 8.892 4.396 ( -6.000 0.351 1.146) 6.118 4.625 ( 6.019 -2.306 -0.866) 6.503 5.359 ( 0.538 3.403 -2.009) 3.988 5.531 ( 0.670 -4.207 4.119) 5.926 5.634 ( 0.657 -2.227 -0.598) 2.398 5.759 ( -0.368 0.860 -1.336) 1.630 5.839 ( 0.200 -0.137 -4.377) 4.384 6.031 ( 8.590 -6.284 2.546) 10.944 6.222 ( -7.033 -0.214 0.666) 7.068 6.665 ( 1.744 -10.369 1.598) 10.635 7.230 ( -7.822 -7.120 4.415) 11.462 7.376 ( 4.799 10.061 -1.298) 11.222 7.580 ( 0.272 4.713 -0.676) 4.769 7.623 ( 5.207 -2.698 4.349) 7.301 7.928 ( 1.562 -2.780 -8.855) 9.412 8.476 ( 0.065 -3.717 0.280) 3.728 8.884 ( -7.142 -4.433 0.522) 8.422 9.172 ( -0.230 -2.782 9.917) 10.302 9.744 ( -0.703 -0.751 -7.495) 7.566 9.999 ( -0.870 18.643 -2.413) 18.819 10.165 ( 0.351 -2.369 0.149) 2.400 11.252 ( -0.429 1.803 -0.482) 1.915 11.424 ( 0.309 1.267 0.103) 1.308 11.678 ( 1.335 -0.607 0.984) 1.766 11.792 ( 0.359 -1.520 -1.060) 1.888 12.308 ( -0.779 0.684 0.641) 1.219 12.503 ( 0.103 3.816 -0.201) 3.823 12.558 ( 0.566 -0.304 0.156) 0.661 13.120 ( 3.326 -9.028 7.450) 12.168 13.491 ( -3.020 -6.597 -6.603) 9.811 17.687 ( 0.496 1.123 -0.057) 1.229 18.390 ( -0.447 -2.461 1.083) 2.725 23.006 ( -0.465 0.154 -0.292) 0.571 23.326 ( -2.260 21.498 -0.884) 21.635 23.708 ( -0.502 5.162 -0.846) 5.255 24.035 ( 14.050 0.181 -1.072) 14.092 25.155 ( 0.831 -1.546 0.306) 1.782 26.673 ( -10.823 -21.618 1.102) 24.201 ======================= Grid point 253 (126/185) ======================= q-point: ( 0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 7.335 20.772 -3.860) 22.365 1.638 ( 1.835 5.890 15.779) 16.943 1.906 ( 6.402 -1.650 13.560) 15.086 2.193 ( 2.289 -0.711 -8.674) 8.999 2.363 ( 5.337 5.951 -5.423) 9.659 2.664 ( 4.567 4.628 2.624) 7.012 2.771 ( -1.750 -1.531 -1.867) 2.982 2.996 ( -7.937 9.260 1.406) 12.277 3.079 ( -2.609 3.281 0.034) 4.192 3.336 ( 5.492 2.562 2.982) 6.754 3.393 ( 3.780 1.214 -0.000) 3.971 3.485 ( -2.442 1.441 -2.265) 3.629 3.605 ( 3.466 4.239 -8.067) 9.749 3.916 ( -9.202 3.531 0.330) 9.862 3.964 ( 1.240 -2.002 -1.777) 2.950 4.158 ( 0.807 1.217 -0.873) 1.701 4.285 ( -7.368 -0.794 2.352) 7.775 4.736 ( 7.159 -0.575 -2.078) 7.476 5.337 ( -1.481 5.517 -1.761) 5.978 5.550 ( -1.584 -5.818 1.795) 6.291 5.640 ( -0.475 -2.991 -0.140) 3.032 5.764 ( 3.990 0.807 1.409) 4.307 5.848 ( 1.652 -1.377 -4.903) 5.354 5.964 ( -6.054 -2.710 -2.576) 7.115 6.305 ( 6.025 -1.058 3.422) 7.010 6.773 ( 7.898 -8.139 -1.227) 11.407 7.021 ( -16.164 -3.132 4.438) 17.052 7.341 ( -6.013 2.583 -1.849) 6.800 7.598 ( 2.325 4.776 -0.213) 5.317 7.733 ( 1.177 -1.313 5.286) 5.572 7.873 ( 1.801 0.067 -9.312) 9.485 8.459 ( -2.090 -3.596 0.424) 4.181 8.963 ( 12.144 -5.224 2.973) 13.550 9.199 ( -4.496 -3.323 7.451) 9.315 9.677 ( -1.046 -0.143 -5.169) 5.275 9.972 ( -1.134 16.521 -0.555) 16.569 10.196 ( 3.201 -2.773 -0.368) 4.252 11.239 ( -0.832 1.169 0.126) 1.440 11.431 ( 0.218 1.799 -0.266) 1.832 11.645 ( -4.795 -1.500 -0.827) 5.092 11.794 ( 1.057 -0.989 -0.898) 1.704 12.347 ( 3.425 -0.042 0.972) 3.560 12.508 ( 0.651 5.124 0.178) 5.168 12.568 ( 0.652 -1.016 -0.440) 1.285 13.131 ( -6.734 -11.540 4.146) 13.990 13.405 ( -1.276 -1.499 -2.990) 3.580 17.706 ( 1.836 0.925 -0.446) 2.104 18.368 ( -2.832 -2.339 1.045) 3.819 22.962 ( -3.811 -0.264 0.136) 3.823 23.267 ( -2.298 14.822 -0.238) 15.001 23.682 ( -2.143 3.516 -0.252) 4.125 24.369 ( 25.596 3.911 -11.390) 28.288 25.152 ( -1.714 -1.764 -0.123) 2.463 26.494 ( -12.712 -17.789 10.074) 24.073 ======================= Grid point 254 (127/185) ======================= q-point: ( 0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 10.946 21.792 1.151) 24.414 1.801 ( 5.144 0.005 6.528) 8.311 2.047 ( 2.774 5.450 3.993) 7.303 2.195 ( 3.132 -4.328 -5.673) 7.792 2.404 ( 1.774 -2.683 -5.360) 6.251 2.605 ( -6.333 6.427 -3.488) 9.674 2.832 ( 8.373 4.245 -4.315) 10.332 2.852 ( -8.620 8.759 -0.488) 12.299 3.077 ( 2.928 0.010 2.566) 3.894 3.427 ( 3.111 2.199 -5.174) 6.425 3.445 ( -0.322 1.395 0.488) 1.513 3.494 ( 4.231 -0.758 6.024) 7.400 3.638 ( 4.938 6.189 -4.101) 8.917 3.746 ( -7.271 4.260 3.628) 9.175 3.960 ( -0.667 -1.705 -1.113) 2.142 4.173 ( -5.162 -1.923 3.560) 6.559 4.215 ( 2.224 0.534 2.083) 3.094 4.827 ( 4.968 0.748 -3.017) 5.861 5.283 ( -3.354 4.913 -1.184) 6.065 5.501 ( -5.171 -8.823 1.337) 10.313 5.649 ( 1.609 -1.208 1.071) 2.279 5.769 ( -3.368 -2.178 -4.017) 5.676 5.888 ( 7.400 -0.944 1.794) 7.672 5.947 ( 4.034 1.359 -4.502) 6.196 6.363 ( -0.368 -1.870 -0.293) 1.928 6.603 ( -21.671 4.000 1.402) 22.082 6.996 ( -0.173 -10.626 1.349) 10.713 7.275 ( 6.495 1.590 -2.297) 7.071 7.622 ( -6.576 -1.304 -2.841) 7.282 7.668 ( 0.685 3.037 0.526) 3.157 7.955 ( 8.136 6.008 -0.085) 10.115 8.416 ( -3.072 -3.755 0.588) 4.887 9.097 ( -9.673 -3.125 2.338) 10.431 9.266 ( 15.815 -7.270 3.238) 17.704 9.649 ( 0.421 0.972 -0.125) 1.066 9.948 ( -1.658 13.581 0.469) 13.690 10.271 ( 5.736 -2.921 -0.766) 6.482 11.223 ( -1.374 0.480 0.359) 1.499 11.425 ( -0.468 0.860 0.151) 0.991 11.508 ( -9.145 -1.788 -2.898) 9.758 11.822 ( 2.956 -0.536 -0.905) 3.138 12.372 ( -1.725 -2.513 -1.353) 3.335 12.541 ( 2.081 6.314 1.703) 6.863 12.575 ( 1.115 -2.603 -0.299) 2.847 13.055 ( -2.419 -4.533 3.046) 5.973 13.377 ( -1.605 -1.030 0.002) 1.907 17.746 ( 3.187 0.498 -0.718) 3.304 18.308 ( -4.816 -2.159 0.875) 5.350 22.901 ( -2.575 -1.909 -0.446) 3.236 23.250 ( 0.461 10.492 -0.865) 10.538 23.629 ( -3.605 1.064 -0.189) 3.764 24.657 ( 15.571 1.377 -16.204) 22.515 25.086 ( -4.285 0.574 0.753) 4.388 26.437 ( -3.493 -11.167 14.905) 18.949 ======================= Grid point 255 (128/185) ======================= q-point: ( 0.33 0.11 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 12.389 17.791 3.891) 22.026 1.846 ( 1.365 -2.659 -11.841) 12.212 2.122 ( 3.843 6.873 -0.162) 7.876 2.182 ( -2.474 0.828 -1.864) 3.207 2.290 ( -8.826 4.829 2.131) 10.284 2.527 ( -1.959 0.697 -1.471) 2.548 2.652 ( -8.961 7.801 -1.848) 12.024 3.014 ( 12.466 3.961 -5.940) 14.366 3.176 ( 5.562 -3.368 0.896) 6.564 3.368 ( -8.279 -0.847 -0.217) 8.325 3.464 ( 2.926 0.638 -1.440) 3.323 3.523 ( 1.405 -2.594 -1.787) 3.449 3.699 ( 5.046 7.392 -2.354) 9.255 3.835 ( 3.978 6.445 9.470) 12.126 3.957 ( 3.117 -1.368 2.706) 4.349 4.122 ( -1.400 -1.145 1.688) 2.474 4.322 ( 6.023 -0.562 5.736) 8.337 4.857 ( 1.237 1.459 -3.793) 4.248 5.195 ( -5.542 2.597 -2.196) 6.503 5.404 ( -6.718 -12.668 1.960) 14.472 5.683 ( 0.537 -1.050 -1.393) 1.826 5.731 ( 2.043 0.062 -0.985) 2.269 5.981 ( 1.961 2.307 -1.553) 3.403 6.027 ( 7.488 -2.262 -1.611) 7.986 6.224 ( -19.973 3.879 3.298) 20.612 6.318 ( -3.660 0.907 -4.333) 5.743 6.902 ( -6.820 1.026 0.370) 6.906 7.367 ( -6.194 -4.304 -6.679) 10.075 7.557 ( 11.561 -4.303 1.868) 12.477 7.731 ( 3.502 4.567 0.955) 5.833 8.106 ( 8.308 7.745 1.648) 11.477 8.364 ( -3.052 -3.591 -0.182) 4.716 8.882 ( -14.661 -0.905 -0.427) 14.695 9.529 ( 9.698 -7.328 1.874) 12.299 9.700 ( 5.163 1.852 2.513) 6.034 9.918 ( -2.199 9.746 0.801) 10.023 10.384 ( 7.617 -2.839 -0.487) 8.144 11.169 ( -6.608 -3.509 -1.274) 7.590 11.308 ( -8.303 2.308 -2.436) 8.955 11.434 ( 0.959 -0.787 1.369) 1.848 11.876 ( 3.656 -1.086 -1.092) 3.967 12.297 ( -3.528 -6.892 -2.945) 8.283 12.584 ( 1.522 8.992 1.841) 9.304 12.617 ( 2.528 -1.175 0.709) 2.876 13.091 ( 1.898 -2.115 4.585) 5.394 13.341 ( -2.057 0.290 -0.412) 2.118 17.807 ( 4.315 -0.093 -0.661) 4.366 18.217 ( -5.873 -1.883 0.587) 6.195 22.870 ( -0.381 -3.236 -1.147) 3.454 23.260 ( 1.355 8.810 -1.100) 8.981 23.562 ( -3.559 -2.028 -0.201) 4.101 24.580 ( -9.239 -6.416 -11.439) 16.043 25.120 ( 7.295 9.032 -2.301) 11.836 26.570 ( 4.718 -6.823 13.752) 16.060 ======================= Grid point 256 (129/185) ======================= q-point: (-0.56 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 9.545 13.202 5.097) 17.070 1.699 ( -4.856 3.444 -14.903) 16.048 2.009 ( -12.337 4.117 -2.308) 13.209 2.117 ( -0.160 11.767 -8.113) 14.294 2.302 ( 0.893 5.639 11.932) 13.228 2.487 ( -1.190 -0.764 -1.450) 2.025 2.561 ( -1.912 3.785 2.092) 4.729 3.109 ( 3.569 0.191 -7.114) 7.961 3.216 ( -3.382 -0.530 -0.492) 3.459 3.295 ( 4.332 -2.225 -0.835) 4.941 3.486 ( -0.293 -4.181 -0.430) 4.213 3.533 ( 1.168 -2.109 -2.208) 3.269 3.730 ( -1.522 6.908 0.144) 7.076 3.920 ( 4.475 5.780 2.500) 7.725 4.104 ( 5.073 -1.600 -0.273) 5.326 4.202 ( 8.596 3.054 6.594) 11.256 4.509 ( 9.079 -0.812 7.810) 12.003 4.809 ( -4.245 0.030 -2.700) 5.031 5.055 ( -6.927 2.057 -4.899) 8.730 5.306 ( -5.115 -15.213 1.659) 16.135 5.675 ( 1.110 -0.864 -2.445) 2.821 5.761 ( 0.475 -1.570 -1.567) 2.269 5.959 ( -9.945 7.540 4.393) 13.231 5.989 ( -1.308 5.327 1.408) 5.663 6.088 ( -4.012 -9.449 1.420) 10.363 6.276 ( 7.360 2.196 -9.076) 11.890 6.813 ( -4.147 9.781 1.854) 10.785 7.188 ( -6.548 -2.401 -4.540) 8.322 7.738 ( 3.518 0.999 -0.481) 3.689 7.844 ( 9.100 -6.599 3.956) 11.917 8.259 ( 4.617 7.863 0.466) 9.131 8.309 ( -0.176 -1.777 -1.163) 2.131 8.609 ( -14.456 1.506 0.053) 14.534 9.629 ( 2.086 -3.689 1.741) 4.582 9.852 ( 8.380 3.499 -1.074) 9.145 9.890 ( -0.025 4.260 0.242) 4.267 10.517 ( 6.667 -3.038 0.197) 7.329 10.965 ( -10.574 -3.827 -2.975) 11.632 11.235 ( -1.175 3.116 -0.289) 3.342 11.470 ( 1.279 -2.002 1.871) 3.023 11.924 ( 2.097 -2.322 -0.409) 3.155 12.226 ( -2.018 -9.534 -2.883) 10.163 12.621 ( 0.656 10.118 2.327) 10.403 12.655 ( 1.397 1.292 -0.096) 1.905 13.138 ( -2.956 -4.264 7.132) 8.820 13.323 ( 2.268 2.873 -2.821) 4.621 17.875 ( 3.081 -0.673 -0.356) 3.174 18.126 ( -3.983 -1.549 0.351) 4.288 22.862 ( 0.288 -3.621 -1.245) 3.840 23.274 ( 0.980 8.667 -1.054) 8.786 23.512 ( -1.580 -4.706 -0.192) 4.968 24.319 ( -10.778 -6.323 -5.640) 13.710 25.215 ( 5.087 10.938 -3.821) 12.653 26.756 ( 5.654 -5.807 9.454) 12.453 ======================= Grid point 257 (130/185) ======================= q-point: (-0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -9.723 10.527 -4.548) 15.035 1.652 ( -0.762 10.536 5.798) 12.050 1.775 ( -10.001 8.760 -3.389) 13.720 2.094 ( 3.750 7.001 -5.047) 9.410 2.384 ( -2.556 6.968 10.534) 12.886 2.472 ( 1.581 0.059 -1.780) 2.382 2.577 ( 1.019 3.715 2.786) 4.754 3.065 ( -1.651 -1.179 -5.624) 5.979 3.216 ( 4.101 1.593 -0.681) 4.452 3.353 ( 3.056 -3.376 -4.492) 6.396 3.446 ( -4.485 -6.400 2.864) 8.323 3.525 ( -0.415 0.473 -3.031) 3.095 3.687 ( -2.722 6.804 0.450) 7.342 4.005 ( 3.799 2.437 -1.256) 4.685 4.150 ( 2.318 -0.537 -3.160) 3.955 4.355 ( 1.872 6.324 0.832) 6.647 4.680 ( -5.909 -5.221 0.085) 7.886 4.749 ( 9.058 -0.371 9.846) 13.384 4.896 ( -6.095 3.841 -6.239) 9.530 5.306 ( 4.436 -14.561 1.670) 15.313 5.675 ( -0.147 -1.489 -2.232) 2.687 5.730 ( -0.532 -3.986 -1.424) 4.266 5.870 ( -7.730 3.754 6.338) 10.678 5.988 ( -1.603 6.068 2.814) 6.878 6.017 ( 0.214 -7.772 -0.571) 7.796 6.391 ( 11.279 2.772 -8.409) 14.340 6.787 ( -1.313 16.214 4.886) 16.985 7.092 ( -1.735 -4.568 -1.881) 5.236 7.743 ( -1.540 2.036 -0.508) 2.603 7.965 ( -3.371 -5.262 -0.447) 6.265 8.177 ( -3.435 -2.967 1.982) 4.953 8.327 ( -4.208 4.294 -1.151) 6.122 8.546 ( 7.584 4.636 2.754) 9.306 9.659 ( 0.276 -3.549 0.922) 3.677 9.858 ( -0.473 3.394 -0.922) 3.549 10.018 ( 10.788 4.632 -6.683) 13.509 10.536 ( -5.801 -2.769 -0.604) 6.456 10.898 ( 6.045 -3.065 0.813) 6.826 11.228 ( 0.298 2.285 0.089) 2.306 11.497 ( 0.606 -2.004 1.028) 2.332 11.922 ( -2.654 -3.501 -0.327) 4.406 12.185 ( -0.646 -10.474 -1.565) 10.609 12.633 ( -1.260 9.502 1.613) 9.720 12.664 ( 0.058 3.279 -0.461) 3.312 13.090 ( -7.549 -2.810 6.895) 10.603 13.377 ( 5.444 1.199 -2.827) 6.250 17.871 ( -3.421 -0.591 -0.187) 3.477 18.124 ( 3.405 -1.692 0.468) 3.831 22.855 ( -0.223 -3.455 -0.763) 3.546 23.274 ( -0.135 9.023 -1.007) 9.080 23.511 ( 1.532 -5.271 -0.161) 5.491 24.163 ( -4.486 -5.154 0.715) 6.870 25.228 ( -0.189 11.085 -4.160) 11.842 26.892 ( 4.073 -6.939 3.541) 8.791 ======================= Grid point 258 (131/185) ======================= q-point: (-0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -10.963 8.848 5.158) 15.002 1.606 ( -7.273 9.944 -4.416) 13.087 1.618 ( -7.798 12.475 11.175) 18.475 2.141 ( 1.330 4.163 0.725) 4.430 2.366 ( -6.332 10.819 9.069) 15.473 2.529 ( 4.794 0.197 0.739) 4.854 2.645 ( 5.801 5.798 0.787) 8.239 2.984 ( -2.503 0.543 -6.689) 7.163 3.275 ( -5.794 -1.284 -5.720) 8.243 3.310 ( 1.702 -1.826 0.361) 2.523 3.434 ( 2.619 -3.218 1.433) 4.390 3.475 ( -2.047 1.934 -0.834) 2.937 3.658 ( -0.105 5.311 -0.936) 5.394 4.023 ( -0.030 -0.707 -3.109) 3.188 4.160 ( 1.530 -0.425 -4.633) 4.897 4.290 ( -2.938 4.351 -4.873) 7.164 4.593 ( -4.704 -3.452 -0.009) 5.834 4.754 ( -5.286 3.636 -4.314) 7.731 5.000 ( 10.401 0.487 8.542) 13.468 5.453 ( 8.569 -15.207 2.519) 17.636 5.639 ( -1.234 -3.402 -2.194) 4.232 5.705 ( -4.036 -2.348 -0.773) 4.732 5.779 ( -4.543 3.192 4.332) 7.042 5.993 ( 0.590 1.732 2.227) 2.882 6.087 ( 4.365 -5.904 3.605) 8.179 6.537 ( 13.015 6.461 -7.679) 16.434 6.857 ( 4.558 15.717 6.606) 17.647 7.087 ( 0.234 -8.145 2.497) 8.523 7.643 ( -12.130 -1.641 -2.208) 12.438 7.764 ( -8.475 7.121 -0.942) 11.109 8.212 ( -3.021 -1.731 -0.480) 3.515 8.280 ( 3.855 -2.192 1.308) 4.623 8.736 ( 9.091 2.686 5.019) 10.726 9.642 ( -2.799 -6.551 -1.138) 7.215 9.848 ( 0.970 1.030 -3.092) 3.401 10.120 ( 7.836 9.269 -12.026) 17.087 10.395 ( -7.925 -2.030 -0.383) 8.190 11.101 ( 12.430 -3.958 2.765) 13.335 11.249 ( 2.264 2.439 0.766) 3.415 11.510 ( 0.546 -0.701 -0.174) 0.905 11.834 ( -5.743 -2.728 -0.545) 6.381 12.182 ( 0.448 -9.952 1.632) 10.095 12.599 ( -3.172 7.328 0.342) 7.992 12.651 ( -1.403 3.983 -0.319) 4.235 12.998 ( -8.103 0.255 6.189) 10.199 13.454 ( 5.513 -1.990 -2.620) 6.420 17.792 ( -4.549 0.045 -0.066) 4.550 18.213 ( 5.336 -2.166 0.743) 5.806 22.852 ( 0.685 -2.504 0.022) 2.596 23.260 ( -0.246 9.710 -1.159) 9.782 23.556 ( 3.354 -3.534 0.124) 4.874 24.153 ( -1.486 -3.335 7.224) 8.095 25.160 ( -3.267 9.378 -3.870) 10.658 26.949 ( 2.335 -10.143 -3.406) 10.952 ======================= Grid point 259 (132/185) ======================= q-point: (-0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -7.412 2.882 8.185) 11.412 1.412 ( -10.551 7.083 1.494) 12.796 1.611 ( -6.122 11.641 15.118) 20.039 2.136 ( -4.436 12.997 9.569) 16.738 2.332 ( -4.374 12.508 7.869) 15.411 2.632 ( 5.960 -1.749 -1.032) 6.297 2.776 ( 3.686 3.837 -3.624) 6.438 2.860 ( 0.785 4.865 -9.284) 10.511 3.126 ( -3.970 1.379 -1.462) 4.450 3.317 ( -2.009 -2.543 3.061) 4.458 3.392 ( -3.734 -0.102 -1.442) 4.004 3.543 ( 2.163 3.689 2.001) 4.721 3.691 ( 4.946 0.566 -1.851) 5.311 3.970 ( -2.154 0.028 -2.669) 3.430 4.067 ( -3.835 -0.672 -9.445) 10.216 4.316 ( 6.928 -0.161 -3.236) 7.648 4.494 ( -3.396 1.926 -6.865) 7.898 4.651 ( -5.606 0.730 2.176) 6.058 5.222 ( 8.392 0.432 4.867) 9.710 5.576 ( -3.235 -4.141 0.033) 5.255 5.589 ( 1.908 -7.527 1.283) 7.870 5.650 ( 1.531 -2.924 0.523) 3.342 5.766 ( -0.077 2.952 0.771) 3.052 6.000 ( -1.832 0.761 -0.436) 2.032 6.206 ( 5.000 -9.461 5.788) 12.166 6.749 ( 14.216 4.289 -4.153) 15.419 7.019 ( 5.798 2.062 1.532) 6.342 7.098 ( -1.236 -2.925 8.522) 9.094 7.418 ( -6.673 5.796 1.451) 8.957 7.669 ( -4.024 5.471 -0.374) 6.802 8.110 ( -4.780 0.679 -4.718) 6.751 8.380 ( 4.412 -4.832 1.905) 6.815 8.921 ( 6.412 0.327 7.629) 9.971 9.508 ( -10.903 -12.257 -5.522) 17.309 9.837 ( 1.263 -0.336 -5.737) 5.884 10.105 ( 1.323 16.098 -11.242) 19.679 10.268 ( -6.011 -1.564 -0.688) 6.249 11.234 ( 2.363 0.331 -0.200) 2.394 11.376 ( 7.231 -1.961 2.070) 7.773 11.521 ( 2.685 0.672 -2.098) 3.473 11.770 ( -0.970 -0.093 1.477) 1.770 12.241 ( 3.795 -7.966 5.110) 10.197 12.543 ( -2.855 4.345 0.303) 5.208 12.604 ( -3.590 1.960 -0.549) 4.127 12.923 ( -4.648 2.916 6.395) 8.426 13.524 ( 4.753 -5.229 -3.541) 7.904 17.725 ( -2.952 0.651 0.130) 3.026 18.305 ( 4.163 -2.450 0.934) 4.920 22.893 ( 3.885 -0.597 0.288) 3.942 23.259 ( 1.592 12.287 -1.543) 12.486 23.622 ( 3.761 -0.747 0.505) 3.867 24.143 ( -8.811 0.797 9.749) 13.164 25.099 ( -0.268 4.252 -1.481) 4.511 26.925 ( 0.184 -15.384 -8.748) 17.698 ======================= Grid point 260 (133/185) ======================= q-point: (-0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -9.561 7.699 -6.905) 14.084 1.411 ( -0.557 -5.458 23.833) 24.457 1.586 ( -8.431 11.811 12.796) 19.348 2.186 ( -0.110 20.231 14.019) 24.614 2.328 ( -2.459 12.213 4.845) 13.367 2.561 ( -3.663 -0.426 -13.423) 13.921 2.756 ( 3.734 -0.934 -0.645) 3.903 3.017 ( 10.506 4.602 0.810) 11.498 3.110 ( 1.676 4.030 -1.083) 4.497 3.259 ( -6.081 3.810 1.366) 7.304 3.351 ( -1.106 -3.592 1.569) 4.072 3.555 ( -0.679 4.473 -0.095) 4.525 3.711 ( -0.591 -2.250 -4.772) 5.309 3.948 ( -1.477 -4.273 -7.254) 8.548 3.972 ( 3.563 4.621 -1.217) 5.961 4.356 ( -3.263 3.167 -6.587) 8.004 4.428 ( 4.381 1.971 -5.303) 7.155 4.585 ( -3.796 -2.456 4.068) 6.082 5.341 ( 3.341 1.354 -0.493) 3.639 5.511 ( -2.777 -2.475 3.527) 5.126 5.629 ( 0.928 -4.293 -0.299) 4.402 5.730 ( 4.111 -1.236 -0.290) 4.303 5.820 ( 7.838 0.226 2.027) 8.099 5.924 ( -4.314 -0.581 -3.273) 5.446 6.304 ( 0.048 -6.465 3.652) 7.426 6.739 ( -10.259 -10.537 0.389) 14.712 7.143 ( 12.852 -1.474 -0.100) 12.936 7.274 ( 7.718 6.102 1.769) 9.997 7.459 ( 5.058 3.161 8.756) 10.594 7.607 ( -2.367 4.778 -0.782) 5.389 7.993 ( -3.072 -0.483 -6.438) 7.150 8.451 ( 2.393 -4.324 0.746) 4.998 9.070 ( 3.027 -1.612 9.247) 9.863 9.176 ( -19.186 -10.584 -6.100) 22.745 9.803 ( 0.424 -0.603 -7.334) 7.371 10.042 ( -0.608 20.048 -5.771) 20.871 10.186 ( -2.927 -2.226 0.112) 3.679 11.255 ( 0.634 2.019 -0.599) 2.199 11.424 ( -0.138 -0.063 -0.081) 0.172 11.602 ( 5.539 -0.399 0.643) 5.591 11.786 ( 1.038 -0.802 -0.391) 1.369 12.331 ( 0.053 -1.957 2.209) 2.951 12.513 ( -1.226 3.835 0.248) 4.034 12.549 ( -0.929 -1.896 0.590) 2.192 12.971 ( 4.228 -1.291 7.913) 9.064 13.552 ( 1.741 -7.729 -5.556) 9.677 17.691 ( -1.065 1.038 0.179) 1.498 18.368 ( 2.016 -2.519 1.041) 3.390 22.974 ( 4.239 0.348 -0.404) 4.273 23.303 ( 4.900 18.728 -2.544) 19.525 23.689 ( 3.398 3.177 -0.262) 4.659 24.002 ( -11.504 1.422 8.062) 14.119 25.123 ( 2.102 -0.424 0.720) 2.262 26.829 ( -4.158 -20.488 -7.258) 22.130 ======================= Grid point 261 (134/185) ======================= q-point: ( 0.00 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 1.593 17.529 -0.186) 17.602 1.578 ( 5.675 0.273 19.667) 20.471 1.831 ( -4.313 15.018 4.642) 16.300 2.335 ( -6.007 3.067 -9.358) 11.535 2.498 ( 5.307 4.205 -6.564) 9.430 2.632 ( -1.665 1.203 1.136) 2.348 2.826 ( 0.372 5.389 -0.385) 5.415 3.095 ( 0.262 -2.552 4.244) 4.959 3.212 ( -2.291 2.343 0.932) 3.407 3.380 ( 1.098 6.883 6.439) 9.489 3.445 ( 1.478 16.713 -2.468) 16.959 3.622 ( 0.188 6.114 -1.115) 6.218 3.707 ( 0.631 5.639 -4.315) 7.129 3.838 ( 4.002 -5.504 -0.872) 6.860 4.107 ( -0.046 5.562 1.125) 5.675 4.293 ( -7.788 2.909 -3.401) 8.982 4.425 ( -7.576 3.393 -1.591) 8.452 4.587 ( 9.623 -0.971 -3.190) 10.185 5.383 ( -0.931 -2.551 1.080) 2.923 5.450 ( 1.179 -2.922 6.111) 6.875 5.533 ( 1.548 -7.868 0.166) 8.020 5.733 ( 1.548 -5.290 -1.093) 5.619 5.866 ( -0.573 -7.329 1.114) 7.435 5.908 ( 0.945 5.992 -3.531) 7.018 6.216 ( 1.036 -1.466 1.300) 2.217 6.487 ( 1.452 -7.305 3.552) 8.252 7.007 ( -3.826 -12.007 -3.760) 13.151 7.538 ( -0.021 -4.739 3.315) 5.784 7.628 ( 2.860 11.784 1.972) 12.285 7.727 ( 3.341 9.300 -1.838) 10.051 7.872 ( -1.645 -1.895 -7.134) 7.563 8.395 ( 0.844 -3.954 -0.158) 4.046 8.770 ( -4.540 -7.094 0.885) 8.469 9.087 ( -0.368 -6.054 7.020) 9.277 9.728 ( -0.785 -0.563 -6.025) 6.102 10.094 ( -0.052 -4.538 -0.273) 4.546 10.412 ( -0.214 21.868 -5.230) 22.485 11.301 ( -1.350 3.158 -0.585) 3.484 11.465 ( 1.396 3.024 0.945) 3.462 11.664 ( 0.542 -0.843 1.315) 1.653 11.753 ( -0.027 -2.384 0.539) 2.444 12.328 ( -1.143 0.478 0.855) 1.505 12.434 ( 2.136 -12.808 2.677) 13.258 12.580 ( -0.150 2.708 0.337) 2.733 12.986 ( -0.560 -1.199 0.146) 1.331 13.402 ( -0.444 -2.737 -3.177) 4.217 17.725 ( 0.412 2.962 -0.064) 2.991 18.320 ( -0.335 -4.737 1.156) 4.887 23.020 ( -0.659 1.620 -0.108) 1.752 23.665 ( -7.590 6.979 6.244) 12.054 23.891 ( -7.008 13.756 -3.232) 15.773 24.075 ( 25.920 6.395 -7.746) 27.798 25.124 ( 0.374 -1.133 -0.285) 1.227 26.170 ( -9.912 -27.646 2.424) 29.469 ======================= Grid point 262 (135/185) ======================= q-point: ( 0.11 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 11.070 19.929 -1.905) 22.877 1.781 ( -0.875 5.574 6.176) 8.365 1.891 ( 8.649 3.009 15.791) 18.254 2.200 ( -1.802 1.776 -7.521) 7.935 2.439 ( -2.973 0.935 -8.329) 8.893 2.711 ( 6.293 -2.063 -1.494) 6.789 2.801 ( -0.346 4.842 0.352) 4.867 3.093 ( -3.252 -1.773 2.654) 4.557 3.166 ( -3.150 6.850 1.060) 7.614 3.435 ( -2.041 8.051 3.443) 8.991 3.444 ( -0.085 4.019 -0.358) 4.036 3.617 ( 2.127 11.967 -1.867) 12.297 3.718 ( 4.404 7.361 -3.738) 9.357 3.905 ( 3.180 -2.498 -1.040) 4.176 4.020 ( -10.688 6.291 -0.308) 12.406 4.185 ( -2.886 1.582 2.991) 4.448 4.292 ( -5.821 2.060 -0.955) 6.248 4.735 ( 9.350 0.902 -3.060) 9.879 5.342 ( -4.552 -7.396 1.097) 8.753 5.504 ( -0.162 1.045 1.176) 1.582 5.559 ( 1.833 -4.108 0.104) 4.500 5.713 ( -1.379 -4.883 -0.197) 5.078 5.841 ( -1.872 -4.534 0.951) 4.997 5.930 ( 4.502 4.117 -3.523) 7.045 6.273 ( 3.231 -2.766 0.676) 4.307 6.625 ( 10.578 -7.981 1.233) 13.308 6.850 ( -11.417 -9.973 -0.677) 15.175 7.457 ( -7.671 5.672 -0.931) 9.585 7.652 ( -3.896 -5.206 -0.043) 6.503 7.726 ( 1.219 7.427 -0.185) 7.529 7.927 ( 9.765 5.468 -3.371) 11.688 8.384 ( -1.660 -3.425 -0.415) 3.828 8.839 ( 9.730 -7.430 2.292) 12.455 9.102 ( -3.366 -6.712 5.163) 9.113 9.678 ( -0.377 0.509 -3.523) 3.579 10.118 ( 2.929 -5.052 -0.230) 5.844 10.347 ( -3.670 20.688 -2.732) 21.187 11.270 ( -2.127 1.967 0.858) 3.022 11.483 ( -0.061 3.527 -0.529) 3.567 11.613 ( -6.215 -1.677 0.129) 6.439 11.770 ( 1.578 -1.428 0.152) 2.133 12.360 ( 2.844 1.105 1.109) 3.246 12.428 ( -3.313 -13.685 0.298) 14.083 12.608 ( 2.713 3.052 0.684) 4.141 12.976 ( -0.468 -1.364 1.024) 1.769 13.379 ( 0.026 -1.013 -1.808) 2.073 17.739 ( 1.300 2.615 -0.391) 2.947 18.302 ( -2.563 -4.508 0.992) 5.280 22.974 ( -4.457 1.682 0.574) 4.799 23.528 ( -9.380 8.627 3.326) 13.170 23.781 ( -4.610 7.427 -2.070) 8.983 24.461 ( 24.140 4.218 -13.749) 28.099 25.123 ( -0.325 -0.226 0.088) 0.405 26.082 ( -4.040 -22.410 9.278) 24.589 ======================= Grid point 263 (136/185) ======================= q-point: ( 0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 10.799 21.792 -1.077) 24.345 1.814 ( 3.948 1.244 -3.143) 5.197 2.147 ( 6.910 4.304 8.880) 12.046 2.155 ( 1.368 0.215 -3.826) 4.068 2.358 ( -0.753 -1.105 -0.557) 1.448 2.669 ( -5.689 0.675 -1.462) 5.912 2.918 ( 7.073 1.512 0.252) 7.237 3.015 ( -5.527 5.288 -1.274) 7.755 3.141 ( -1.145 6.706 2.444) 7.228 3.373 ( -1.606 -2.142 -2.124) 3.417 3.431 ( -2.307 0.252 -0.622) 2.403 3.664 ( 1.470 9.367 -0.001) 9.482 3.794 ( 1.495 9.541 0.184) 9.659 3.833 ( -2.091 6.045 -0.120) 6.398 3.942 ( 2.263 1.245 -2.230) 3.412 4.149 ( -5.485 -0.095 4.635) 7.182 4.252 ( 0.782 3.393 3.066) 4.639 4.852 ( 6.281 2.150 -3.237) 7.386 5.248 ( -6.466 -9.575 0.633) 11.571 5.443 ( -4.887 3.132 -3.727) 6.898 5.605 ( 3.133 -3.398 0.576) 4.657 5.685 ( -1.350 -5.514 -0.773) 5.729 5.889 ( 3.792 0.436 4.883) 6.198 5.984 ( 4.639 2.386 -4.137) 6.658 6.275 ( -1.890 -7.583 -5.744) 9.699 6.622 ( -14.763 -3.437 6.376) 16.444 6.834 ( 10.482 -4.070 -2.045) 11.429 7.337 ( -2.579 5.515 -2.199) 6.474 7.527 ( -7.610 -7.579 -1.700) 10.874 7.785 ( 3.365 7.541 1.583) 8.408 8.083 ( 9.473 6.449 -1.082) 11.511 8.343 ( -2.226 -2.642 -0.387) 3.476 9.008 ( -4.408 -5.983 1.590) 7.599 9.115 ( 12.065 -8.318 2.632) 14.888 9.674 ( 1.401 1.733 0.375) 2.259 10.183 ( 3.324 -4.061 0.011) 5.248 10.256 ( -3.669 15.488 -0.961) 15.946 11.225 ( -4.636 -0.665 0.556) 4.716 11.448 ( -4.257 0.893 1.230) 4.520 11.487 ( -5.242 0.843 -2.897) 6.049 11.807 ( 2.548 -1.123 -0.294) 2.800 12.291 ( -6.938 -7.918 -3.341) 11.045 12.473 ( 4.754 -4.348 2.923) 7.074 12.671 ( 3.304 4.168 0.947) 5.402 13.005 ( 1.959 0.947 2.970) 3.682 13.372 ( 0.287 0.570 -1.025) 1.207 17.766 ( 2.312 1.803 -0.650) 3.003 18.247 ( -4.370 -4.116 0.729) 6.047 22.894 ( -4.455 1.340 0.601) 4.691 23.425 ( -4.199 5.416 0.848) 6.906 23.673 ( -5.946 4.517 -1.679) 7.653 24.597 ( 1.181 -8.521 -13.380) 15.907 25.177 ( 8.491 9.253 -0.713) 12.578 26.181 ( 5.660 -13.804 11.786) 19.013 ======================= Grid point 264 (137/185) ======================= q-point: ( 0.33 0.22 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 8.735 19.170 0.406) 21.070 1.844 ( 3.948 2.920 -8.661) 9.956 2.150 ( 1.617 0.748 -5.830) 6.096 2.287 ( 3.897 5.454 7.741) 10.240 2.392 ( 0.142 4.513 4.742) 6.548 2.549 ( -5.795 1.884 -1.577) 6.295 2.811 ( -9.529 6.337 -3.931) 12.100 3.072 ( 4.939 -0.313 -1.572) 5.192 3.139 ( -0.067 0.570 2.200) 2.274 3.352 ( -5.625 -0.173 -0.066) 5.628 3.370 ( 2.136 -4.434 -3.567) 6.078 3.629 ( -2.079 8.620 -0.443) 8.878 3.826 ( 3.897 2.294 3.216) 5.549 3.943 ( 7.599 3.986 -1.760) 8.760 3.974 ( 0.703 6.779 4.164) 7.986 4.123 ( 1.307 1.777 3.284) 3.956 4.329 ( 3.939 1.770 6.005) 7.397 4.899 ( 1.829 3.390 -3.845) 5.443 5.131 ( -7.267 -9.898 0.510) 12.290 5.309 ( -6.089 3.311 -4.623) 8.331 5.651 ( 0.536 -2.107 -1.163) 2.466 5.678 ( 2.508 -5.397 -0.819) 6.007 5.972 ( -0.169 -2.841 1.615) 3.273 6.030 ( 3.549 1.015 -1.715) 4.070 6.127 ( -7.895 -7.116 -4.533) 11.555 6.455 ( -7.599 7.128 3.019) 10.847 6.923 ( 1.927 0.593 -1.625) 2.590 7.311 ( -3.230 0.291 -4.102) 5.229 7.457 ( 4.196 -6.152 3.034) 8.041 7.841 ( 1.145 5.396 1.565) 5.733 8.238 ( 8.227 3.997 -0.682) 9.172 8.318 ( 0.711 1.658 -0.742) 1.950 8.853 ( -11.446 -2.095 -0.205) 11.638 9.376 ( 12.342 -8.694 1.759) 15.199 9.740 ( 5.308 2.427 2.404) 6.312 10.126 ( -6.409 10.496 0.835) 12.327 10.314 ( 7.102 -3.503 -0.530) 7.937 11.082 ( -10.730 -5.393 -1.818) 12.146 11.365 ( -4.257 3.474 -0.288) 5.503 11.432 ( -0.925 0.922 0.749) 1.505 11.847 ( 2.177 -2.027 -0.830) 3.088 12.150 ( -5.078 -8.320 -4.385) 10.689 12.577 ( 4.291 -2.614 2.742) 5.724 12.728 ( 2.099 3.900 1.128) 4.570 13.068 ( 1.311 1.785 4.571) 5.079 13.376 ( 1.189 2.974 -1.142) 3.401 17.811 ( 3.285 0.662 -0.660) 3.415 18.165 ( -5.239 -3.509 0.432) 6.320 22.840 ( -1.955 0.379 0.134) 1.995 23.381 ( -1.467 0.937 0.065) 1.742 23.559 ( -5.205 3.963 -1.698) 6.759 24.396 ( -11.092 -12.019 -8.828) 18.586 25.352 ( 10.749 14.018 -2.699) 17.870 26.405 ( 8.892 -9.546 10.273) 16.605 ======================= Grid point 265 (138/185) ======================= q-point: (-0.56 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 5.243 14.619 3.214) 15.860 1.828 ( 1.312 10.028 -6.214) 11.870 2.094 ( -3.800 5.172 -5.343) 8.351 2.353 ( -5.863 9.042 3.932) 11.471 2.438 ( 6.009 8.730 2.150) 10.814 2.473 ( -1.241 -0.476 -1.448) 1.966 2.663 ( -3.610 6.081 -1.420) 7.213 3.058 ( -1.441 -6.082 -2.939) 6.907 3.195 ( 1.611 -2.523 1.771) 3.478 3.278 ( -1.387 -0.028 -0.490) 1.471 3.365 ( 1.030 -2.485 -5.101) 5.767 3.612 ( -0.451 7.190 -0.101) 7.205 3.863 ( -1.599 5.158 1.888) 5.721 4.015 ( 2.822 3.566 -0.690) 4.600 4.082 ( 4.578 -0.268 5.973) 7.530 4.266 ( 9.515 3.093 7.126) 12.284 4.470 ( 6.509 -1.892 4.966) 8.403 4.838 ( -5.913 3.473 -4.906) 8.432 5.022 ( -3.902 -6.077 -0.185) 7.224 5.185 ( -3.695 3.399 -3.671) 6.219 5.644 ( 0.584 -2.463 -1.994) 3.223 5.677 ( -2.224 -7.078 -5.506) 9.239 5.879 ( -4.145 -9.080 -1.815) 10.145 6.023 ( -7.259 0.105 7.608) 10.516 6.074 ( 0.236 2.376 1.302) 2.720 6.417 ( 4.918 9.430 -6.018) 12.220 6.928 ( 0.208 0.337 -0.572) 0.696 7.201 ( -4.894 5.656 -1.493) 7.627 7.629 ( 9.534 -8.527 3.448) 13.248 7.838 ( -2.708 0.546 1.415) 3.104 8.284 ( 0.059 3.091 -2.461) 3.952 8.420 ( 7.967 6.449 -0.147) 10.251 8.637 ( -11.511 1.423 0.249) 11.601 9.534 ( 4.647 -6.292 0.953) 7.880 9.895 ( 9.770 1.585 0.203) 9.900 10.030 ( -3.991 8.958 0.546) 9.822 10.439 ( 6.390 -4.827 -0.105) 8.009 10.873 ( -9.330 -5.462 -2.180) 11.029 11.305 ( -2.128 3.890 -0.662) 4.483 11.440 ( 0.004 -0.662 2.452) 2.540 11.865 ( 0.319 -3.668 -0.614) 3.732 12.055 ( -2.065 -7.996 -4.193) 9.262 12.657 ( 2.576 -1.185 2.092) 3.524 12.753 ( -0.295 1.428 1.005) 1.771 13.106 ( -1.530 3.505 5.738) 6.896 13.397 ( 2.423 4.389 -1.884) 5.355 17.863 ( 2.472 -0.454 -0.483) 2.560 18.084 ( -3.551 -2.804 0.299) 4.534 22.822 ( -0.437 -0.287 -0.040) 0.524 23.370 ( 0.182 -4.209 0.071) 4.214 23.477 ( -2.435 6.271 -1.708) 6.940 24.155 ( -9.157 -9.997 -4.930) 14.425 25.478 ( 5.500 15.173 -2.998) 16.415 26.608 ( 6.332 -9.011 6.827) 12.958 ======================= Grid point 266 (139/185) ======================= q-point: (-0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -6.772 17.779 -0.224) 19.026 1.850 ( -4.488 9.682 4.604) 11.622 1.981 ( -1.857 11.660 -4.972) 12.811 2.272 ( -2.213 9.930 -0.712) 10.198 2.470 ( 1.904 -0.205 -0.959) 2.142 2.550 ( 4.000 8.686 1.536) 9.686 2.652 ( 1.449 3.874 1.684) 4.465 3.022 ( -0.094 -4.574 -2.623) 5.274 3.219 ( 1.344 -3.221 -0.196) 3.496 3.276 ( 0.095 -3.064 -0.719) 3.148 3.355 ( 2.434 0.630 -3.393) 4.223 3.597 ( -1.338 6.434 0.177) 6.574 3.836 ( -2.566 7.143 1.516) 7.740 4.036 ( 0.309 1.782 -1.486) 2.341 4.150 ( -0.353 -0.891 1.795) 2.035 4.493 ( 6.148 4.852 8.121) 11.282 4.584 ( -0.038 -3.977 -0.737) 4.045 4.659 ( -4.370 -4.712 -1.581) 6.618 4.998 ( 0.530 4.892 -0.793) 4.985 5.146 ( 2.080 -1.127 -1.766) 2.952 5.565 ( -3.481 -9.110 -3.271) 10.286 5.650 ( 1.638 -3.631 -2.483) 4.694 5.852 ( -1.181 -6.877 2.172) 7.308 5.940 ( -7.087 3.042 6.103) 9.835 6.073 ( -1.463 0.756 2.121) 2.685 6.522 ( 12.216 8.967 -8.119) 17.192 6.923 ( -0.718 -5.000 0.019) 5.052 7.138 ( -1.925 12.508 1.205) 12.712 7.734 ( -3.973 -3.927 -1.830) 5.879 7.839 ( 5.542 -7.487 3.667) 10.011 8.215 ( -6.584 7.991 -1.171) 10.420 8.413 ( -6.294 4.206 0.354) 7.578 8.625 ( 7.848 3.213 0.689) 8.508 9.570 ( -0.704 -5.892 -0.150) 5.936 9.924 ( -2.909 3.071 -0.685) 4.285 10.128 ( 13.008 6.342 -4.996) 15.310 10.463 ( -4.463 -4.536 -0.860) 6.422 10.820 ( 5.685 -4.898 0.562) 7.526 11.282 ( -0.399 2.993 0.255) 3.030 11.464 ( 0.798 -1.170 2.200) 2.616 11.840 ( -2.978 -4.435 0.128) 5.343 12.014 ( 0.244 -7.159 -2.865) 7.715 12.690 ( -0.411 0.558 0.217) 0.726 12.740 ( -1.929 -1.453 2.051) 3.169 13.099 ( -3.929 5.883 5.703) 9.087 13.426 ( 2.562 3.511 -2.678) 5.105 17.860 ( -2.533 -0.386 -0.388) 2.591 18.078 ( 2.649 -2.971 0.549) 4.018 22.818 ( 0.005 -0.108 0.271) 0.292 23.388 ( 1.746 -6.823 -0.321) 7.050 23.453 ( 1.041 8.620 -1.065) 8.747 24.031 ( -2.603 -7.961 0.084) 8.376 25.493 ( -1.080 15.240 -3.412) 15.654 26.716 ( 1.861 -10.741 2.139) 11.109 ======================= Grid point 267 (140/185) ======================= q-point: (-0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -12.168 18.816 -1.611) 22.466 1.765 ( -11.851 8.163 9.223) 17.092 1.916 ( -1.792 15.771 -3.477) 16.248 2.291 ( 2.495 8.787 2.451) 9.458 2.523 ( 4.608 0.964 -0.220) 4.713 2.599 ( 1.220 10.949 0.485) 11.028 2.722 ( 4.680 0.752 1.527) 4.980 3.011 ( -0.283 1.140 -1.120) 1.623 3.217 ( -1.274 -4.277 -0.002) 4.463 3.266 ( -0.969 -1.835 -1.866) 2.790 3.407 ( 5.736 2.641 -3.358) 7.152 3.573 ( -1.893 7.508 2.936) 8.281 3.808 ( -0.492 8.213 -0.660) 8.254 3.989 ( -4.295 -0.926 -2.131) 4.883 4.140 ( -0.178 -2.366 -1.481) 2.797 4.393 ( -7.681 4.246 -7.104) 11.292 4.553 ( -1.187 0.461 1.170) 1.730 4.748 ( 1.842 -4.992 0.602) 5.355 5.039 ( 4.595 4.609 4.951) 8.178 5.228 ( 7.063 -7.250 -0.151) 10.123 5.532 ( -0.161 -6.694 1.187) 6.800 5.637 ( -3.306 -4.932 0.172) 5.940 5.852 ( -1.510 1.532 5.092) 5.527 5.909 ( 1.805 -3.397 0.087) 3.848 6.058 ( -2.526 -1.309 2.787) 3.983 6.702 ( 14.581 9.497 -8.070) 19.182 6.895 ( -3.286 -10.432 1.360) 11.022 7.153 ( 1.606 13.742 3.401) 14.248 7.592 ( -7.645 -3.478 -3.663) 9.162 7.918 ( -0.594 5.132 -1.723) 5.446 8.114 ( -3.661 -2.006 5.219) 6.683 8.329 ( -2.907 4.614 -1.615) 5.687 8.775 ( 7.260 0.953 2.516) 7.743 9.498 ( -6.870 -8.576 -2.508) 11.271 9.874 ( -1.260 1.609 -2.812) 3.476 10.277 ( 4.914 3.491 -6.321) 8.734 10.360 ( -0.418 1.300 -4.024) 4.249 11.010 ( 12.388 -5.385 2.099) 13.670 11.295 ( 1.235 2.204 1.417) 2.896 11.503 ( 2.253 -0.005 0.875) 2.417 11.785 ( -2.875 -1.707 1.365) 3.612 12.014 ( 1.106 -7.338 0.259) 7.426 12.637 ( -4.761 -1.163 -0.603) 4.938 12.722 ( -2.571 0.289 2.201) 3.397 13.061 ( -4.436 7.107 4.444) 9.484 13.443 ( 1.963 1.052 -3.318) 3.996 17.799 ( -3.414 0.803 -0.199) 3.513 18.154 ( 4.596 -3.884 0.881) 6.082 22.837 ( 2.139 1.023 0.633) 2.454 23.419 ( 2.985 0.960 -1.730) 3.581 23.502 ( 4.117 3.033 1.005) 5.212 24.056 ( 2.257 -6.312 5.309) 8.551 25.395 ( -6.419 14.025 -3.930) 15.917 26.702 ( -3.105 -14.467 -3.032) 15.104 ======================= Grid point 268 (141/185) ======================= q-point: (-0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -10.369 15.037 3.594) 18.615 1.562 ( -15.242 9.684 5.460) 18.866 1.892 ( -1.222 15.759 1.846) 15.914 2.354 ( 2.722 6.940 1.140) 7.541 2.596 ( 2.053 0.560 -3.277) 3.907 2.640 ( 3.900 14.370 4.928) 15.684 2.810 ( -0.076 -1.506 3.020) 3.375 2.952 ( -2.800 5.429 -2.049) 6.443 3.200 ( 1.104 4.421 -1.148) 4.699 3.260 ( 1.473 -1.454 1.500) 2.556 3.449 ( 1.769 6.148 -3.034) 7.081 3.601 ( 0.882 3.939 3.683) 5.464 3.813 ( -0.214 11.135 -0.831) 11.168 3.881 ( -3.456 -6.584 -3.961) 8.425 4.073 ( -3.313 -1.311 -5.395) 6.465 4.327 ( 5.149 1.233 -4.491) 6.943 4.521 ( -2.049 0.922 -1.635) 2.779 4.697 ( -4.897 3.649 -2.115) 6.463 5.201 ( 6.642 -2.464 6.169) 9.394 5.359 ( 7.140 -10.384 0.165) 12.603 5.534 ( -4.576 -3.300 2.407) 6.133 5.576 ( -0.421 -5.556 3.487) 6.573 5.857 ( -0.283 6.290 0.884) 6.358 6.006 ( 4.803 -5.029 2.118) 7.270 6.021 ( -1.864 -5.274 2.338) 6.063 6.772 ( -8.517 -5.848 -0.256) 10.335 6.917 ( 11.092 -0.503 -5.053) 12.199 7.248 ( 5.746 9.281 4.811) 11.928 7.478 ( -0.641 0.990 -3.290) 3.495 7.832 ( -5.796 10.921 -0.542) 12.375 8.099 ( -3.331 -3.179 -0.286) 4.613 8.309 ( 1.740 -0.562 0.263) 1.847 8.910 ( 4.912 -1.779 4.841) 7.123 9.284 ( -14.195 -11.567 -4.561) 18.871 9.833 ( -0.296 0.127 -4.936) 4.947 10.201 ( -5.190 -3.623 -0.674) 6.365 10.408 ( 6.986 13.318 -10.075) 18.102 11.219 ( 8.526 -2.448 0.690) 8.898 11.352 ( 3.755 0.087 2.785) 4.676 11.541 ( 2.450 1.283 -1.905) 3.358 11.771 ( -0.703 -0.029 1.332) 1.507 12.091 ( 6.154 -7.469 5.623) 11.192 12.530 ( -6.876 -2.933 0.053) 7.476 12.674 ( -4.136 2.415 1.095) 4.913 13.019 ( -3.186 6.732 2.512) 7.861 13.446 ( 1.361 -2.025 -3.718) 4.447 17.749 ( -2.068 1.985 0.045) 2.867 18.237 ( 3.763 -4.536 1.121) 5.999 22.907 ( 5.147 2.093 0.262) 5.562 23.492 ( 8.017 8.586 -2.771) 12.069 23.595 ( 4.488 -0.220 2.971) 5.387 24.134 ( -0.863 -2.088 7.533) 7.865 25.238 ( -7.081 9.931 -3.513) 12.693 26.568 ( -7.732 -19.843 -6.337) 22.219 ======================= Grid point 269 (142/185) ======================= q-point: (-0.11 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -8.730 12.974 3.477) 16.019 1.429 ( -4.497 7.816 12.880) 15.723 1.873 ( -3.323 15.836 3.334) 16.521 2.411 ( 4.604 5.632 -2.549) 7.708 2.534 ( -4.204 -1.554 -9.990) 10.950 2.700 ( -8.310 10.106 5.191) 14.076 2.765 ( 5.147 9.184 2.537) 10.829 3.016 ( 4.255 -0.233 4.848) 6.454 3.223 ( 0.732 3.281 0.144) 3.365 3.318 ( 2.750 2.367 2.079) 4.182 3.447 ( 0.723 13.609 -2.791) 13.911 3.620 ( 0.265 2.979 -0.296) 3.005 3.753 ( -4.252 6.442 1.336) 7.834 3.819 ( 0.269 -6.845 -5.880) 9.028 4.064 ( 4.236 3.581 -2.119) 5.938 4.407 ( 2.053 2.204 -2.856) 4.150 4.468 ( 2.346 0.410 -5.164) 5.687 4.576 ( -7.435 3.410 -0.380) 8.189 5.330 ( 4.399 -2.259 2.731) 5.649 5.440 ( -2.115 -6.108 3.303) 7.259 5.488 ( 1.567 -7.885 1.955) 8.273 5.652 ( 5.057 -6.705 2.412) 8.737 5.865 ( 0.462 2.542 0.637) 2.661 5.946 ( -2.927 2.783 -2.852) 4.945 6.152 ( 4.886 -8.436 4.668) 10.809 6.572 ( -11.781 -6.697 1.399) 13.624 7.030 ( 5.131 -6.518 -5.451) 9.926 7.413 ( 7.412 2.447 6.199) 9.968 7.529 ( 7.615 6.043 -2.866) 10.135 7.741 ( -3.824 9.105 -0.035) 9.876 7.995 ( -5.570 0.740 -4.389) 7.130 8.360 ( 2.673 -4.058 0.664) 4.904 8.971 ( -14.462 -9.946 -3.071) 17.819 9.020 ( 1.070 -4.640 6.618) 8.153 9.785 ( -0.399 -0.693 -6.225) 6.276 10.124 ( -3.005 -4.115 -0.392) 5.110 10.432 ( 3.495 19.079 -7.930) 20.955 11.305 ( 2.038 2.756 -0.621) 3.483 11.431 ( 1.893 0.880 1.670) 2.673 11.594 ( 4.888 -0.269 0.157) 4.898 11.760 ( -1.078 -1.980 0.597) 2.332 12.282 ( 8.307 -5.938 5.034) 11.384 12.414 ( -5.926 -6.315 1.309) 8.759 12.609 ( -3.275 3.172 0.391) 4.576 12.993 ( -1.034 3.807 0.780) 4.021 13.432 ( 0.257 -3.779 -3.860) 5.408 17.726 ( -0.638 2.755 0.120) 2.830 18.297 ( 1.921 -4.784 1.209) 5.295 22.993 ( 3.843 1.902 -0.382) 4.305 23.654 ( 6.743 13.089 0.035) 14.724 23.721 ( 13.511 0.637 -0.797) 13.549 24.080 ( -10.514 6.640 4.367) 13.180 25.136 ( -2.069 2.501 -1.303) 3.498 26.361 ( -10.288 -25.431 -4.392) 27.783 ======================= Grid point 270 (143/185) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 2.771 15.890 3.586) 16.523 1.668 ( 1.443 9.158 7.977) 12.231 2.068 ( -3.399 7.739 -1.830) 8.648 2.362 ( -3.263 -0.864 -4.872) 5.927 2.463 ( 2.734 -5.459 -12.764) 14.149 2.598 ( -1.312 -3.289 -2.268) 4.205 2.917 ( -2.140 3.196 -2.284) 4.473 3.085 ( -1.201 1.211 4.251) 4.581 3.266 ( -0.168 3.286 -0.372) 3.311 3.554 ( -1.662 8.539 5.958) 10.544 3.640 ( -4.167 1.814 2.307) 5.097 3.712 ( 7.764 -3.526 -0.817) 8.566 3.824 ( 3.875 9.864 -0.054) 10.598 3.908 ( 0.246 15.041 -0.661) 15.058 4.224 ( 1.322 6.840 3.245) 7.685 4.343 ( -9.817 3.667 1.952) 10.660 4.525 ( -8.406 5.803 -3.331) 10.744 4.604 ( 11.758 2.837 -3.559) 12.608 5.253 ( -4.783 -9.584 3.159) 11.168 5.354 ( 3.967 -10.206 -1.642) 11.072 5.451 ( 5.592 2.196 3.743) 7.078 5.563 ( 0.123 -8.209 3.608) 8.968 5.769 ( -1.925 -4.504 0.685) 4.945 5.987 ( 0.253 -3.455 -1.101) 3.635 6.169 ( 4.639 0.524 -0.012) 4.669 6.390 ( -0.970 -3.495 3.617) 5.123 6.856 ( -3.341 -2.435 -8.116) 9.109 7.361 ( 0.694 -12.271 0.012) 12.291 7.845 ( 2.861 8.773 0.483) 9.240 7.879 ( -2.795 3.933 -2.659) 5.509 7.922 ( 1.349 9.099 -2.205) 9.459 8.345 ( 1.529 -1.062 -0.855) 2.049 8.626 ( -3.087 -7.036 0.924) 7.739 8.940 ( -0.293 -9.078 3.607) 9.773 9.735 ( -0.924 1.480 -4.053) 4.413 9.993 ( -0.468 -5.730 -0.736) 5.796 10.814 ( 1.409 19.662 -4.672) 20.259 11.366 ( -2.057 3.276 -0.803) 3.951 11.534 ( 2.334 3.847 2.091) 4.961 11.641 ( -0.333 -1.635 1.871) 2.507 11.705 ( 0.731 -2.406 1.890) 3.145 12.066 ( -1.122 -19.467 2.179) 19.620 12.395 ( 0.384 3.172 0.562) 3.244 12.594 ( -0.665 -1.271 0.791) 1.639 13.053 ( -0.420 6.255 -3.173) 7.026 13.363 ( -0.010 -2.003 -2.250) 3.013 17.805 ( 0.279 5.322 0.112) 5.331 18.210 ( -0.182 -6.596 1.146) 6.698 23.081 ( -0.904 5.017 0.600) 5.133 23.634 ( -4.757 -7.729 7.234) 11.606 24.086 ( -1.039 8.224 -1.320) 8.394 24.275 ( 16.650 8.660 -9.710) 21.130 25.135 ( -0.731 2.786 -1.259) 3.144 25.696 ( -7.880 -20.219 1.218) 21.735 ======================= Grid point 271 (144/185) ======================= q-point: ( 0.11 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 10.111 15.856 -0.442) 18.811 1.807 ( 3.834 1.347 7.978) 8.954 2.028 ( 1.592 5.598 1.187) 5.940 2.263 ( -1.181 4.976 -6.011) 7.892 2.384 ( -2.022 -6.390 -6.979) 9.677 2.631 ( 4.320 -5.439 -1.497) 7.105 2.871 ( -2.230 3.057 0.693) 3.847 3.084 ( -2.278 0.057 3.733) 4.374 3.259 ( -0.591 3.588 0.411) 3.660 3.521 ( -7.806 1.670 1.650) 8.152 3.549 ( -3.681 4.972 0.175) 6.188 3.782 ( 0.671 0.966 -2.191) 2.487 3.893 ( 4.043 7.391 0.183) 8.427 3.965 ( 4.750 10.792 -0.242) 11.794 4.153 ( -9.788 8.207 1.605) 12.874 4.270 ( -3.783 8.957 7.596) 12.339 4.356 ( -5.377 3.872 -4.345) 7.924 4.781 ( 10.705 3.730 -3.093) 11.751 5.167 ( -6.142 -8.912 1.415) 10.915 5.410 ( 2.834 -6.886 0.472) 7.461 5.556 ( 2.425 -5.032 -3.843) 6.780 5.589 ( 1.852 -1.683 3.282) 4.128 5.758 ( 0.406 -3.498 3.032) 4.648 5.980 ( -0.320 -5.309 -0.996) 5.411 6.216 ( 2.422 0.890 -3.522) 4.366 6.476 ( 5.397 -5.912 3.774) 8.850 6.752 ( -1.700 -0.007 -3.713) 4.084 7.350 ( -1.934 -13.545 -0.160) 13.684 7.704 ( -9.715 7.921 -3.029) 12.896 7.875 ( 0.908 6.645 1.495) 6.871 8.051 ( 9.379 6.832 -2.177) 11.806 8.355 ( 0.442 0.738 -1.482) 1.713 8.688 ( 8.371 -7.735 1.906) 11.556 8.946 ( -1.794 -9.332 2.608) 9.854 9.705 ( 0.248 2.376 -1.849) 3.021 10.005 ( 2.222 -6.387 -0.105) 6.764 10.738 ( -5.950 19.517 -3.880) 20.770 11.307 ( -4.637 1.535 1.118) 5.011 11.550 ( -3.701 2.054 0.422) 4.254 11.594 ( -3.120 1.032 0.271) 3.297 11.737 ( 1.651 -2.095 0.791) 2.782 12.085 ( 0.455 -18.750 1.673) 18.830 12.407 ( 0.898 3.011 0.481) 3.179 12.618 ( 2.268 -1.833 1.274) 3.182 13.047 ( 1.993 6.725 -1.549) 7.183 13.359 ( 1.170 -1.490 -1.344) 2.323 17.811 ( 0.464 4.940 -0.182) 4.965 18.197 ( -2.085 -6.314 0.850) 6.703 23.038 ( -4.504 5.242 1.156) 7.008 23.550 ( -9.134 -5.050 5.268) 11.692 23.963 ( -7.648 10.120 -3.366) 13.124 24.460 ( 8.195 -4.850 -11.508) 14.937 25.182 ( 7.906 6.391 -0.640) 10.187 25.710 ( 6.169 -15.198 5.982) 17.459 ======================= Grid point 272 (145/185) ======================= q-point: ( 0.22 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 11.850 14.764 -0.829) 18.949 1.849 ( 3.190 2.884 -4.913) 6.529 2.144 ( 2.901 -1.566 4.619) 5.675 2.270 ( 5.456 7.993 0.483) 9.690 2.345 ( 1.296 -1.310 1.210) 2.204 2.649 ( -1.874 -2.808 -1.329) 3.628 2.866 ( 0.277 -3.721 2.043) 4.254 3.049 ( -4.100 -2.250 0.918) 4.766 3.246 ( -2.441 3.400 2.212) 4.735 3.371 ( -8.128 0.216 -0.524) 8.148 3.483 ( -3.838 5.897 0.471) 7.052 3.768 ( 0.878 1.713 -1.874) 2.687 3.909 ( -6.433 4.163 2.259) 7.989 3.989 ( 2.526 6.724 -2.581) 7.633 4.093 ( 1.688 10.210 -0.271) 10.352 4.191 ( -3.891 5.290 0.725) 6.606 4.354 ( 1.217 8.592 4.715) 9.876 4.921 ( 7.572 4.630 -2.874) 9.329 5.070 ( -5.804 -7.140 0.803) 9.236 5.453 ( 0.291 -2.077 -1.987) 2.889 5.512 ( 0.235 -6.530 -3.867) 7.593 5.622 ( -0.065 -0.330 0.182) 0.383 5.851 ( 4.685 -4.548 5.191) 8.342 5.938 ( -2.954 -11.474 -3.415) 12.330 6.202 ( 0.718 5.036 -6.964) 8.624 6.541 ( -3.056 -3.504 7.917) 9.181 6.805 ( 9.149 0.279 -2.680) 9.538 7.303 ( -2.868 -11.849 0.886) 12.224 7.523 ( -7.759 9.568 -2.570) 12.583 7.899 ( -0.296 2.338 1.554) 2.823 8.194 ( 8.705 6.260 -2.006) 10.908 8.356 ( 1.595 3.846 -1.113) 4.310 8.876 ( 3.099 -7.411 0.730) 8.066 8.946 ( 7.451 -9.057 1.843) 11.872 9.722 ( 2.239 3.398 0.881) 4.164 10.066 ( 4.334 -6.892 0.565) 8.161 10.575 ( -9.174 16.138 -2.332) 18.709 11.183 ( -10.330 -3.889 -0.538) 11.051 11.470 ( -4.331 2.420 3.312) 5.965 11.544 ( -2.434 4.060 -3.038) 5.625 11.774 ( 1.815 -2.437 0.082) 3.040 12.063 ( -3.304 -13.719 -1.093) 14.154 12.454 ( 3.475 1.613 1.928) 4.288 12.676 ( 2.630 -2.850 1.364) 4.111 13.099 ( 3.908 7.446 0.717) 8.440 13.384 ( 2.322 0.020 -0.496) 2.374 17.820 ( 0.922 3.887 -0.457) 4.021 18.152 ( -3.546 -5.673 0.488) 6.708 22.956 ( -5.282 5.191 1.254) 7.512 23.423 ( -8.042 -4.723 2.524) 9.662 23.806 ( -7.051 8.102 -3.082) 11.174 24.372 ( -7.098 -13.135 -8.903) 17.384 25.392 ( 14.926 11.691 -1.723) 19.037 25.945 ( 13.145 -10.456 6.937) 18.173 ======================= Grid point 273 (146/185) ======================= q-point: ( 0.33 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 7.194 8.155 -4.214) 11.662 2.012 ( 6.244 12.963 2.378) 14.584 2.177 ( 3.350 1.522 -4.246) 5.619 2.370 ( 3.694 3.211 3.840) 6.221 2.459 ( 5.617 3.337 4.277) 7.809 2.572 ( -5.022 -0.363 0.502) 5.060 2.844 ( -4.812 -2.426 -1.546) 5.606 2.982 ( -2.373 -7.532 0.289) 7.902 3.173 ( -7.421 1.890 2.325) 8.003 3.278 ( -2.229 -4.241 0.619) 4.831 3.444 ( -1.044 7.601 0.993) 7.736 3.777 ( -1.254 5.038 0.236) 5.197 3.838 ( 1.205 2.193 -1.314) 2.827 4.012 ( -0.516 0.063 0.344) 0.624 4.102 ( 0.753 6.430 2.312) 6.875 4.212 ( 3.810 5.484 0.580) 6.703 4.426 ( 3.294 9.812 3.786) 11.021 4.975 ( -3.924 -4.823 -1.656) 6.434 5.003 ( 2.429 6.214 -0.529) 6.693 5.361 ( -3.419 1.238 -7.589) 8.415 5.558 ( 2.875 -5.921 1.137) 6.680 5.608 ( -1.108 -2.079 -0.604) 2.432 5.794 ( -6.866 -12.397 -5.966) 15.376 5.981 ( 4.449 -6.408 2.171) 8.098 6.156 ( -1.704 7.446 -2.247) 7.962 6.530 ( -3.708 0.583 6.309) 7.342 6.920 ( 5.555 0.148 -5.754) 7.999 7.303 ( 1.095 -8.334 5.094) 9.829 7.416 ( -2.412 8.137 -0.983) 8.544 7.871 ( -3.777 -2.866 0.686) 4.791 8.325 ( 7.510 7.550 -1.428) 10.744 8.409 ( 5.282 5.113 -0.940) 7.411 8.809 ( -6.042 -1.935 -0.633) 6.376 9.190 ( 13.238 -10.552 1.289) 16.979 9.799 ( 5.315 3.899 2.325) 6.990 10.155 ( 4.131 -5.947 1.550) 7.405 10.408 ( -7.117 11.559 -1.583) 13.666 10.965 ( -12.380 -6.722 -1.790) 14.200 11.438 ( -3.036 4.044 2.013) 5.443 11.474 ( -2.482 3.271 -1.553) 4.390 11.795 ( 0.696 -3.165 -0.429) 3.268 11.980 ( -3.389 -9.109 -2.969) 10.163 12.540 ( 3.794 -0.578 2.789) 4.744 12.715 ( 0.696 -3.634 0.937) 3.817 13.181 ( 3.631 8.217 2.440) 9.309 13.428 ( 2.747 1.721 -0.179) 3.247 17.839 ( 1.627 2.343 -0.557) 2.906 18.085 ( -4.101 -4.654 0.189) 6.206 22.887 ( -3.299 4.442 0.880) 5.603 23.314 ( -5.643 -6.168 0.901) 8.408 23.680 ( -4.723 6.766 -2.351) 8.580 24.152 ( -9.948 -12.353 -6.466) 17.129 25.624 ( 12.043 13.493 -1.915) 18.187 26.223 ( 11.920 -9.166 5.907) 16.155 ======================= Grid point 274 (147/185) ======================= q-point: (-0.56 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 6.080 11.145 -0.128) 12.696 2.064 ( -0.033 11.561 4.159) 12.286 2.213 ( 3.231 7.104 -6.142) 9.931 2.443 ( -0.459 1.930 4.088) 4.544 2.473 ( -2.389 0.446 0.118) 2.433 2.593 ( 3.169 5.757 3.127) 7.277 2.740 ( -1.173 -0.132 -5.472) 5.598 2.928 ( -4.194 -5.895 0.078) 7.235 3.109 ( -0.856 -3.809 1.640) 4.235 3.262 ( 0.168 -1.912 -0.948) 2.141 3.440 ( 0.403 7.638 -1.815) 7.861 3.757 ( -1.767 6.244 0.660) 6.523 3.866 ( 0.760 -3.855 3.626) 5.347 4.020 ( 1.087 -2.977 0.614) 3.228 4.132 ( -1.874 4.769 6.114) 7.977 4.312 ( 6.781 1.246 0.736) 6.934 4.517 ( 3.904 8.050 2.168) 9.206 4.886 ( -3.916 0.536 -3.936) 5.578 5.024 ( 0.286 6.031 1.051) 6.128 5.258 ( -1.783 2.977 -6.872) 7.699 5.546 ( -5.212 -4.507 -3.381) 7.675 5.582 ( -0.540 -4.031 -1.823) 4.457 5.676 ( -0.992 -10.762 -1.027) 10.856 6.033 ( -0.399 -5.008 1.820) 5.343 6.112 ( -3.497 6.335 2.589) 7.685 6.531 ( 1.424 0.550 1.037) 1.845 6.923 ( 1.553 2.705 -6.935) 7.604 7.351 ( -1.477 6.926 4.925) 8.626 7.466 ( 6.996 -7.260 2.886) 10.487 7.787 ( -5.631 -5.116 -0.161) 7.610 8.422 ( 4.347 9.067 -1.276) 10.136 8.512 ( 6.041 3.119 -0.945) 6.864 8.682 ( -7.011 4.341 -0.853) 8.290 9.375 ( 6.533 -10.411 0.200) 12.292 9.935 ( 7.432 2.973 1.119) 8.082 10.179 ( -2.460 3.933 1.858) 4.997 10.364 ( 3.511 -0.529 -1.583) 3.887 10.758 ( -8.533 -6.536 -1.666) 10.877 11.379 ( -2.971 3.657 -0.892) 4.796 11.448 ( -1.315 1.280 1.568) 2.414 11.792 ( -0.731 -3.467 -0.209) 3.549 11.920 ( -0.663 -6.174 -3.143) 6.959 12.618 ( 2.419 -2.045 2.994) 4.359 12.713 ( -1.494 -3.551 0.439) 3.877 13.247 ( 1.203 8.858 3.164) 9.483 13.469 ( 2.063 2.535 -0.542) 3.312 17.865 ( 1.409 0.804 -0.496) 1.696 18.022 ( -2.733 -3.516 0.152) 4.456 22.854 ( -1.172 3.598 0.633) 3.836 23.247 ( -2.202 -7.272 0.259) 7.603 23.609 ( -1.694 6.012 -1.637) 6.457 23.962 ( -6.517 -9.357 -4.031) 12.094 25.767 ( 5.612 14.357 -1.965) 15.539 26.425 ( 6.583 -9.779 3.675) 12.348 ======================= Grid point 275 (148/185) ======================= q-point: (-0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -5.070 9.352 4.680) 11.622 2.135 ( -4.683 16.649 -3.337) 17.614 2.193 ( 4.248 10.660 -0.722) 11.497 2.416 ( -5.294 4.282 3.932) 7.863 2.460 ( 2.728 -0.771 -1.376) 3.151 2.641 ( 1.406 1.002 -0.069) 1.728 2.747 ( 4.640 3.291 -5.060) 7.613 2.903 ( 2.021 -4.022 0.860) 4.583 3.140 ( 3.365 -3.664 -0.819) 5.042 3.257 ( 0.115 0.123 -1.968) 1.975 3.447 ( 2.664 7.543 -1.562) 8.150 3.724 ( -2.149 4.928 1.054) 5.479 3.907 ( -0.258 -0.926 3.822) 3.941 4.032 ( -1.098 -6.847 2.074) 7.238 4.124 ( -3.327 2.751 3.916) 5.828 4.434 ( 4.669 -5.983 1.561) 7.749 4.566 ( -0.055 5.701 0.328) 5.711 4.773 ( -4.239 9.446 -4.384) 11.243 5.061 ( 2.573 2.467 2.716) 4.481 5.196 ( -0.226 3.431 -5.780) 6.726 5.443 ( -2.273 -1.503 -1.673) 3.198 5.556 ( -1.297 -6.227 -0.585) 6.387 5.674 ( -0.186 -10.100 0.868) 10.139 6.016 ( -3.151 -3.063 3.949) 5.908 6.066 ( -3.704 5.414 1.986) 6.854 6.597 ( 5.195 -4.347 -0.849) 6.827 6.904 ( 2.616 6.971 -6.567) 9.928 7.358 ( -1.217 9.197 3.947) 10.081 7.593 ( 1.761 -9.853 -1.333) 10.097 7.712 ( 0.223 -5.319 3.199) 6.211 8.441 ( -2.601 12.981 -2.846) 13.541 8.487 ( -6.036 3.929 0.426) 7.214 8.671 ( 5.661 2.409 -0.367) 6.164 9.415 ( -1.658 -10.727 -1.256) 10.926 9.982 ( -2.379 3.374 -0.721) 4.191 10.231 ( 7.070 2.416 -0.914) 7.527 10.388 ( 0.050 -1.334 -2.451) 2.791 10.714 ( 5.493 -6.048 0.261) 8.174 11.338 ( -1.476 2.755 0.518) 3.168 11.450 ( 0.386 -0.596 1.889) 2.018 11.776 ( -0.942 -1.701 0.686) 2.062 11.903 ( 0.942 -4.595 -2.892) 5.510 12.662 ( -1.628 -4.115 2.863) 5.271 12.677 ( -1.106 -1.721 0.300) 2.068 13.264 ( -1.830 9.168 2.678) 9.725 13.487 ( 0.683 2.251 -1.297) 2.686 17.862 ( -1.416 0.758 -0.416) 1.660 18.014 ( 1.671 -3.565 0.497) 3.969 22.853 ( 0.509 3.621 0.777) 3.738 23.247 ( 1.993 -7.702 0.252) 7.959 23.596 ( 1.280 5.964 -1.082) 6.195 23.881 ( -0.368 -7.026 -0.845) 7.086 25.784 ( -1.849 14.540 -2.478) 14.865 26.498 ( -0.211 -11.511 0.501) 11.524 ======================= Grid point 276 (149/185) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -11.356 11.828 1.002) 16.428 1.988 ( -8.022 17.613 -0.766) 19.369 2.187 ( -1.744 11.305 -2.796) 11.776 2.398 ( -1.394 2.003 2.806) 3.719 2.524 ( 5.378 -0.353 -1.825) 5.690 2.681 ( 3.002 -3.567 1.128) 4.796 2.799 ( 6.248 7.217 -5.310) 10.923 2.970 ( 2.457 -3.179 2.201) 4.581 3.204 ( 4.920 1.519 -0.902) 5.228 3.250 ( 0.741 0.822 -0.356) 1.162 3.511 ( 4.831 7.663 -0.658) 9.082 3.699 ( -2.310 2.693 2.060) 4.103 3.903 ( -2.528 3.338 3.037) 5.173 4.007 ( -2.002 -3.841 -3.774) 5.745 4.094 ( -1.515 1.407 2.942) 3.595 4.410 ( -4.930 -2.148 -4.738) 7.168 4.552 ( -0.223 0.369 -1.801) 1.852 4.750 ( 0.600 7.449 5.620) 9.350 5.140 ( 3.506 1.106 2.662) 4.539 5.155 ( 0.957 2.047 -5.978) 6.391 5.448 ( 1.167 -0.250 3.088) 3.311 5.512 ( -4.898 -7.979 2.698) 9.743 5.705 ( 3.897 -10.208 0.118) 10.927 5.987 ( -3.365 -6.769 2.353) 7.917 6.024 ( -2.466 9.274 3.138) 10.096 6.651 ( -0.201 -11.249 0.714) 11.274 6.935 ( 6.724 11.101 -7.048) 14.769 7.364 ( -1.421 7.216 3.012) 7.948 7.519 ( -2.119 -3.238 -5.260) 6.531 7.838 ( 6.954 -8.282 3.489) 11.363 8.280 ( -10.582 13.820 -0.332) 17.409 8.429 ( -2.611 5.652 -1.865) 6.500 8.769 ( 4.845 -1.228 0.742) 5.053 9.298 ( -9.594 -12.377 -3.122) 15.968 9.917 ( -2.834 3.093 -2.384) 4.825 10.221 ( -5.363 -5.363 -1.337) 7.702 10.478 ( 11.918 7.468 -5.439) 15.080 10.897 ( 12.683 -6.311 1.487) 14.244 11.336 ( 0.117 2.258 2.366) 3.272 11.494 ( 2.493 -1.400 2.493) 3.794 11.777 ( 0.336 0.765 0.639) 1.052 11.905 ( 1.449 -4.032 -1.416) 4.512 12.594 ( -5.403 -2.201 0.497) 5.855 12.687 ( -1.066 -2.929 2.390) 3.928 13.229 ( -3.514 8.972 1.112) 9.699 13.473 ( -0.765 1.208 -2.182) 2.609 17.828 ( -1.765 2.297 -0.142) 2.900 18.068 ( 3.408 -4.841 0.890) 5.987 22.891 ( 3.255 4.471 0.901) 5.603 23.317 ( 5.224 -7.574 1.050) 9.260 23.637 ( 4.163 6.876 -0.702) 8.069 23.933 ( 5.205 -5.941 2.299) 8.226 25.669 ( -8.469 13.920 -3.281) 16.621 26.423 ( -7.298 -14.028 -2.909) 16.079 ======================= Grid point 277 (150/185) ======================= q-point: (-0.22 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -12.558 14.962 -0.186) 19.534 1.820 ( -10.354 17.286 0.521) 20.156 2.168 ( 0.437 11.766 -1.040) 11.820 2.370 ( -0.949 -4.451 -2.558) 5.221 2.593 ( 3.744 0.178 -3.768) 5.315 2.706 ( -0.667 -4.333 -1.856) 4.761 2.908 ( 7.186 7.182 -0.059) 10.160 3.005 ( 1.113 -0.959 0.878) 1.712 3.275 ( 1.322 3.244 0.903) 3.618 3.310 ( 6.247 6.302 2.561) 9.235 3.573 ( 2.121 6.447 -0.255) 6.792 3.667 ( -2.643 -2.596 2.382) 4.405 3.845 ( -5.114 8.301 -1.650) 9.888 3.992 ( 5.192 -3.197 -1.989) 6.414 4.076 ( -3.772 10.677 1.199) 11.387 4.343 ( 3.796 -0.050 -4.989) 6.269 4.523 ( -1.717 -0.518 -1.066) 2.087 4.777 ( -3.711 4.621 4.309) 7.327 5.154 ( 4.220 -2.480 -4.183) 6.439 5.231 ( 3.784 -1.873 4.086) 5.875 5.432 ( -6.066 -7.640 3.681) 10.427 5.499 ( 0.636 -0.371 4.313) 4.376 5.790 ( 3.240 -11.882 1.994) 12.477 5.946 ( -0.910 -4.776 -0.001) 4.862 6.028 ( -0.231 7.535 3.438) 8.286 6.593 ( -7.253 -10.159 2.343) 12.700 6.989 ( 4.466 5.827 -8.349) 11.118 7.343 ( -1.592 -1.232 0.317) 2.038 7.529 ( 7.431 6.282 -3.670) 10.400 7.961 ( 4.897 -5.703 -0.037) 7.517 8.099 ( -10.038 12.195 1.329) 15.850 8.366 ( -2.481 5.204 -1.707) 6.012 8.848 ( 2.953 -4.543 2.060) 5.797 9.050 ( -14.764 -12.689 -3.575) 19.793 9.852 ( -1.921 2.040 -3.953) 4.845 10.114 ( -5.035 -5.164 -1.420) 7.350 10.641 ( 10.967 11.063 -5.948) 16.675 11.141 ( 13.123 -5.429 1.273) 14.259 11.378 ( 1.851 2.256 4.068) 5.006 11.557 ( 2.488 -0.334 1.371) 2.860 11.765 ( -2.009 -0.171 -1.257) 2.376 11.963 ( 4.702 -5.711 2.497) 7.807 12.492 ( -6.246 -0.225 0.534) 6.273 12.668 ( -2.832 -2.521 1.812) 4.202 13.166 ( -3.394 8.061 -1.067) 8.811 13.434 ( -1.340 -0.239 -2.815) 3.127 17.805 ( -0.779 3.893 0.156) 3.973 18.135 ( 3.038 -5.935 1.193) 6.774 22.975 ( 5.210 4.991 0.515) 7.234 23.444 ( 7.373 -7.733 2.933) 11.079 23.734 ( 7.807 8.874 -0.820) 11.848 24.070 ( 6.953 -4.074 3.447) 8.765 25.456 ( -11.954 11.991 -3.822) 17.358 26.209 ( -13.143 -16.827 -4.972) 21.923 ======================= Grid point 278 (151/185) ======================= q-point: (-0.11 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -7.173 14.959 4.159) 17.103 1.675 ( -5.790 16.128 1.403) 17.193 2.141 ( -2.968 10.420 -1.180) 10.898 2.368 ( 3.321 -7.495 -3.416) 8.881 2.557 ( -1.850 1.569 -10.048) 10.337 2.661 ( -2.238 -3.933 -1.858) 4.892 2.965 ( 0.622 2.352 -4.147) 4.808 3.053 ( 1.618 2.196 3.646) 4.553 3.277 ( -0.945 3.577 -0.353) 3.717 3.466 ( 6.856 9.913 6.511) 13.699 3.594 ( 1.421 3.036 0.130) 3.354 3.669 ( -0.026 -5.045 3.404) 6.086 3.785 ( 0.290 11.155 -1.403) 11.247 3.961 ( -5.403 10.841 0.443) 12.121 4.137 ( 7.269 6.242 -0.625) 9.601 4.437 ( 8.491 -1.049 -4.200) 9.531 4.470 ( -3.690 2.534 0.627) 4.520 4.683 ( -7.792 6.099 -0.176) 9.897 5.227 ( 5.490 -9.741 -1.320) 11.260 5.335 ( 3.869 -0.755 5.365) 6.657 5.360 ( -4.353 -7.216 2.214) 8.713 5.534 ( -0.200 -3.129 4.240) 5.273 5.801 ( -2.599 -8.667 2.006) 9.268 5.975 ( 2.563 -6.398 -1.045) 6.971 6.075 ( 3.535 5.538 2.596) 7.064 6.462 ( -8.546 -5.554 2.772) 10.563 6.957 ( -0.214 -0.194 -9.330) 9.335 7.340 ( 1.050 -7.598 -0.107) 7.671 7.685 ( 11.589 8.264 -2.488) 14.449 7.949 ( -5.727 12.052 -0.268) 13.346 7.997 ( -2.068 -1.348 -1.172) 2.732 8.333 ( -0.160 1.639 -0.434) 1.704 8.774 ( -12.607 -9.939 -1.843) 16.160 8.905 ( 1.151 -7.357 3.398) 8.185 9.790 ( -1.448 1.343 -4.692) 5.091 10.032 ( -3.053 -5.255 -1.233) 6.202 10.766 ( 7.659 15.793 -5.229) 18.315 11.336 ( 7.093 -0.507 -0.194) 7.113 11.460 ( 3.565 2.227 4.271) 5.993 11.597 ( 2.044 0.641 0.054) 2.143 11.712 ( -2.809 -2.655 1.168) 4.038 12.056 ( 1.942 -13.545 2.796) 13.966 12.406 ( -3.213 2.877 0.740) 4.375 12.624 ( -3.013 -1.605 0.978) 3.551 13.101 ( -2.175 6.827 -2.915) 7.735 13.391 ( -0.935 -1.526 -2.832) 3.350 17.801 ( -0.016 4.964 0.260) 4.970 18.187 ( 1.689 -6.504 1.283) 6.841 23.057 ( 3.231 4.929 0.228) 5.898 23.590 ( 3.984 -9.152 5.886) 11.588 23.914 ( 14.488 10.252 -2.723) 17.956 24.187 ( 3.653 2.840 0.375) 4.642 25.234 ( -8.871 7.444 -3.088) 11.985 25.920 ( -14.653 -19.462 -3.746) 24.648 ======================= Grid point 279 (152/185) ======================= q-point: ( 0.00 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.281 11.445 3.769) 12.053 1.871 ( -1.458 5.698 0.500) 5.903 2.099 ( -0.903 0.662 -6.213) 6.313 2.255 ( 0.692 -9.866 -6.346) 11.752 2.440 ( -1.399 3.517 -10.171) 10.853 2.524 ( -0.692 -4.372 -4.532) 6.335 2.984 ( -0.579 4.368 0.274) 4.415 3.069 ( -0.876 -3.421 2.098) 4.108 3.375 ( -1.478 7.838 1.144) 8.058 3.535 ( -2.172 -8.191 2.406) 8.809 3.668 ( -0.139 3.838 1.242) 4.037 3.709 ( 3.519 -0.380 0.403) 3.563 4.006 ( 0.146 7.482 3.740) 8.366 4.078 ( -1.225 1.045 1.106) 1.953 4.375 ( -1.071 7.782 3.770) 8.713 4.462 ( 1.070 2.992 0.789) 3.274 4.599 ( -7.476 6.496 1.954) 10.095 4.700 ( 6.340 3.542 -2.729) 7.759 5.059 ( -2.451 -7.183 3.069) 8.187 5.134 ( 4.345 -11.524 -0.535) 12.328 5.526 ( 1.841 6.045 3.195) 7.081 5.557 ( 1.001 7.330 -0.555) 7.419 5.659 ( 1.659 -6.759 2.014) 7.246 5.781 ( 0.069 -13.689 -3.858) 14.223 6.246 ( 1.478 4.648 3.248) 5.860 6.324 ( -0.354 -3.601 3.672) 5.155 6.914 ( -2.467 7.586 -7.532) 10.971 7.113 ( -0.982 -12.374 -4.397) 13.169 7.928 ( 1.474 2.998 -1.330) 3.596 7.959 ( -1.066 0.721 -0.804) 1.517 8.112 ( 1.292 10.581 -0.711) 10.684 8.293 ( 0.812 -6.777 -0.963) 6.893 8.584 ( -1.297 4.801 0.724) 5.025 8.749 ( -0.336 -10.259 1.246) 10.339 9.788 ( -0.985 3.968 -2.498) 4.792 9.882 ( -0.823 -5.567 -1.458) 5.813 11.167 ( 3.082 16.589 -2.152) 17.010 11.386 ( 0.671 -3.748 -0.730) 3.877 11.604 ( 2.579 3.241 2.982) 5.104 11.614 ( -1.800 0.177 2.196) 2.845 11.661 ( 1.736 -2.330 2.126) 3.600 11.733 ( -4.643 -12.996 -0.422) 13.807 12.466 ( -0.312 4.028 0.643) 4.091 12.543 ( -0.646 -3.658 0.768) 3.793 13.186 ( -0.132 6.955 -3.339) 7.716 13.302 ( -0.083 -4.657 -2.636) 5.352 17.927 ( 0.128 7.152 0.510) 7.171 18.071 ( -0.024 -7.575 0.924) 7.631 23.221 ( -1.251 9.459 2.250) 9.803 23.432 ( -2.174 -11.816 4.836) 12.952 24.236 ( 3.384 6.946 -3.006) 8.291 24.331 ( 8.024 -2.068 -5.600) 10.001 25.231 ( -1.999 6.865 -1.606) 7.328 25.400 ( -4.551 -11.205 -0.567) 12.107 ======================= Grid point 280 (153/185) ======================= q-point: ( 0.11 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 4.019 6.166 3.616) 8.201 1.907 ( 3.740 3.717 3.175) 6.155 2.058 ( 2.131 3.028 -5.887) 6.955 2.224 ( 2.153 -9.604 -5.871) 11.460 2.392 ( 1.994 7.442 -3.937) 8.652 2.523 ( 3.100 -5.987 -2.243) 7.106 2.944 ( -4.279 4.641 0.459) 6.329 3.039 ( -4.217 -4.516 1.948) 6.478 3.353 ( -2.434 6.283 2.207) 7.090 3.473 ( -6.313 -5.292 2.339) 8.563 3.660 ( -1.524 5.626 0.061) 5.829 3.748 ( 0.738 -3.308 -1.220) 3.603 4.027 ( -1.123 5.039 2.439) 5.710 4.064 ( -1.531 1.061 2.023) 2.750 4.310 ( -6.998 5.874 3.021) 9.623 4.386 ( -9.264 -1.497 -1.006) 9.438 4.548 ( 1.997 17.072 2.043) 17.309 4.805 ( 5.763 -6.109 -1.725) 8.574 5.076 ( 2.640 3.214 0.421) 4.180 5.251 ( 7.217 -10.834 -0.224) 13.020 5.486 ( -2.726 4.456 0.399) 5.239 5.643 ( 3.981 4.341 -0.448) 5.907 5.659 ( -1.468 -8.578 -0.097) 8.703 5.768 ( 0.631 -10.413 -2.389) 10.702 6.304 ( 3.228 5.188 0.786) 6.160 6.390 ( 4.273 -3.978 2.836) 6.490 6.840 ( -0.722 8.919 -3.078) 9.462 7.070 ( -1.196 -14.153 -1.797) 14.316 7.847 ( -6.447 6.251 -1.750) 9.149 7.927 ( -2.791 -1.429 -0.176) 3.141 8.204 ( 8.190 9.049 -1.275) 12.271 8.354 ( 5.707 -4.300 -1.728) 7.351 8.611 ( 4.014 2.732 1.471) 5.073 8.756 ( 0.255 -9.833 1.015) 9.889 9.773 ( 0.829 4.708 -0.745) 4.838 9.881 ( 1.493 -6.273 -0.225) 6.452 11.084 ( -9.002 15.672 -3.723) 18.453 11.291 ( -9.491 -4.875 -1.102) 10.727 11.568 ( -3.701 2.399 3.061) 5.369 11.653 ( -0.859 1.189 0.627) 1.595 11.679 ( 2.509 -2.617 1.260) 3.838 11.778 ( 4.384 -10.655 0.752) 11.546 12.477 ( 0.898 4.071 0.879) 4.261 12.557 ( 1.359 -4.011 1.161) 4.391 13.188 ( 2.581 7.151 -1.892) 7.834 13.304 ( 2.124 -4.546 -1.491) 5.234 17.926 ( -0.501 6.812 0.187) 6.832 18.064 ( -1.389 -7.271 0.574) 7.425 23.181 ( -4.989 9.483 2.269) 10.953 23.385 ( -6.617 -10.800 3.954) 13.268 24.148 ( -7.841 9.109 -4.336) 12.777 24.318 ( -4.182 -8.575 -7.009) 11.838 25.329 ( 12.772 7.960 -0.419) 15.055 25.487 ( 12.066 -8.988 2.045) 15.184 ======================= Grid point 281 (154/185) ======================= q-point: ( 0.22 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 4.996 5.663 1.302) 7.663 2.032 ( 5.847 -0.560 5.535) 8.070 2.109 ( 7.512 5.370 -3.786) 9.980 2.265 ( 6.080 -6.667 -2.471) 9.355 2.441 ( 4.364 8.113 0.890) 9.255 2.568 ( 2.183 -5.246 -0.460) 5.701 2.853 ( -5.826 2.644 0.563) 6.422 2.950 ( -6.902 -6.452 0.715) 9.475 3.303 ( -5.764 2.879 2.160) 6.796 3.353 ( -8.951 -2.032 1.597) 9.317 3.626 ( -2.273 7.744 1.611) 8.230 3.745 ( 0.694 -3.982 0.139) 4.045 3.988 ( -4.293 3.993 0.621) 5.895 4.045 ( -3.223 -1.017 1.718) 3.792 4.223 ( -3.402 4.692 -0.160) 5.797 4.266 ( -2.472 0.609 0.179) 2.552 4.613 ( 3.674 15.567 0.388) 15.999 4.869 ( 3.011 -9.883 -1.931) 10.510 5.117 ( 1.650 10.013 -0.711) 10.173 5.335 ( 1.801 -11.204 -1.549) 11.453 5.472 ( 1.762 5.650 0.141) 5.920 5.635 ( -0.256 -2.555 -1.132) 2.806 5.686 ( 1.321 -7.344 -3.155) 8.102 5.745 ( -0.670 -6.048 -0.502) 6.106 6.349 ( 1.726 7.770 -2.442) 8.326 6.470 ( 1.602 -4.691 2.414) 5.513 6.866 ( 4.442 6.745 1.306) 8.181 7.058 ( 0.257 -12.322 2.134) 12.509 7.713 ( -6.731 9.228 -1.858) 11.572 7.859 ( -4.598 -5.483 -0.556) 7.178 8.348 ( 8.668 8.316 -1.165) 12.068 8.428 ( 4.014 1.346 -1.460) 4.478 8.751 ( 8.211 -3.951 0.668) 9.136 8.785 ( 4.627 -6.638 0.616) 8.115 9.808 ( 2.971 5.525 1.172) 6.382 9.930 ( 3.691 -6.950 1.058) 7.940 10.860 ( -12.448 13.069 -2.855) 18.273 11.067 ( -13.493 -8.345 -1.989) 15.989 11.548 ( -2.435 5.326 3.738) 6.947 11.613 ( -3.104 1.359 -1.225) 3.603 11.727 ( 1.885 -0.816 -0.001) 2.054 11.823 ( 0.757 -9.905 -0.577) 9.951 12.512 ( 2.057 4.023 1.442) 4.742 12.598 ( 1.890 -4.620 1.359) 5.173 13.245 ( 4.522 7.049 -0.047) 8.375 13.351 ( 3.793 -3.653 -0.164) 5.269 17.914 ( -0.737 5.748 -0.151) 5.797 18.034 ( -2.309 -6.382 0.184) 6.789 23.093 ( -6.189 8.864 1.809) 10.962 23.278 ( -7.654 -9.503 2.373) 12.430 23.963 ( -8.683 8.292 -3.886) 12.619 24.140 ( -9.130 -10.485 -5.739) 15.041 25.599 ( 16.462 9.592 -0.370) 19.057 25.768 ( 16.205 -8.418 2.541) 18.438 ======================= Grid point 282 (155/185) ======================= q-point: ( 0.33 0.44 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 7.697 7.469 1.941) 10.900 2.153 ( 3.649 -1.940 3.675) 5.530 2.246 ( 9.097 8.427 -1.721) 12.520 2.379 ( 7.103 -3.731 -0.548) 8.042 2.537 ( 4.610 3.830 1.494) 6.176 2.557 ( -3.181 0.357 0.053) 3.202 2.777 ( -4.009 -2.388 1.654) 4.950 2.830 ( -5.520 -7.104 1.123) 9.066 3.194 ( -8.590 0.513 2.607) 8.992 3.214 ( -6.033 -2.044 2.113) 6.711 3.616 ( -1.158 9.512 2.682) 9.951 3.774 ( 0.405 -5.472 1.629) 5.723 3.912 ( -2.131 4.421 -3.249) 5.886 3.978 ( -4.080 -2.403 0.108) 4.737 4.214 ( 0.861 4.450 0.882) 4.617 4.260 ( 1.064 -0.187 0.347) 1.134 4.676 ( 3.380 13.653 -0.171) 14.066 4.883 ( 0.703 -6.789 -2.170) 7.162 5.130 ( 0.391 7.117 -0.458) 7.143 5.302 ( -1.716 -8.891 -3.300) 9.638 5.540 ( 3.956 5.621 0.715) 6.911 5.598 ( -3.178 2.887 -2.375) 4.907 5.618 ( -2.645 -5.030 -6.150) 8.374 5.792 ( 3.452 -12.326 1.940) 12.946 6.325 ( -1.916 9.064 -1.978) 9.474 6.476 ( -2.002 -5.937 1.146) 6.369 6.975 ( 5.311 5.817 1.390) 7.999 7.126 ( 3.983 -9.209 5.593) 11.487 7.598 ( -4.825 9.562 -1.016) 10.759 7.764 ( -5.330 -7.430 -0.763) 9.176 8.471 ( 5.709 4.987 -0.654) 7.609 8.485 ( 3.798 2.420 -1.038) 4.622 8.817 ( 3.501 4.255 -0.985) 5.598 8.978 ( 11.523 -10.889 0.137) 15.854 9.894 ( 5.317 5.928 2.273) 8.281 10.022 ( 5.319 -7.124 1.990) 9.111 10.630 ( -11.042 10.879 -1.995) 15.629 10.819 ( -12.540 -8.620 -1.920) 15.337 11.516 ( -3.678 3.549 1.049) 5.218 11.536 ( -3.869 2.048 -1.697) 4.695 11.747 ( 0.692 -0.576 -0.057) 0.903 11.816 ( -0.353 -7.170 -0.701) 7.213 12.563 ( 2.081 2.733 1.831) 3.893 12.634 ( 0.943 -4.306 1.192) 4.566 13.331 ( 4.270 6.691 1.214) 8.030 13.422 ( 3.714 -2.543 0.572) 4.537 17.902 ( -0.419 4.102 -0.346) 4.137 17.991 ( -2.444 -4.960 -0.084) 5.530 23.006 ( -4.638 7.741 1.160) 9.098 23.169 ( -5.898 -8.548 1.126) 10.446 23.805 ( -6.174 6.422 -2.936) 9.380 23.946 ( -7.970 -8.793 -4.359) 12.643 25.859 ( 12.696 10.905 -0.360) 16.740 26.049 ( 12.908 -9.116 2.170) 15.951 ======================= Grid point 283 (156/185) ======================= q-point: (-0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 3.942 6.165 1.263) 7.426 2.218 ( 4.198 3.943 1.100) 5.863 2.352 ( 3.507 6.301 -0.009) 7.211 2.449 ( -2.064 -3.421 0.724) 4.060 2.492 ( 0.147 4.542 -0.293) 4.554 2.621 ( 1.989 -6.459 -1.284) 6.879 2.716 ( -0.814 4.888 2.482) 5.542 2.836 ( 2.307 -5.329 2.547) 6.341 3.097 ( -3.114 2.439 1.755) 4.327 3.184 ( 0.344 -5.618 2.222) 6.051 3.611 ( -0.887 9.447 1.059) 9.548 3.765 ( -1.699 -5.345 2.298) 6.061 3.855 ( -3.113 2.921 -2.105) 4.760 3.929 ( -2.260 -4.946 0.807) 5.497 4.229 ( -0.396 4.833 1.384) 5.043 4.302 ( 3.478 -2.361 -1.689) 4.530 4.730 ( 2.508 11.426 0.504) 11.709 4.879 ( 0.612 -3.069 -1.119) 3.323 5.119 ( -1.126 4.925 -0.079) 5.053 5.258 ( -0.307 -6.151 -3.777) 7.225 5.484 ( -4.551 -0.129 -4.420) 6.345 5.533 ( -1.355 -4.057 -6.132) 7.477 5.610 ( 0.303 9.082 3.078) 9.594 5.849 ( 0.585 -12.752 2.266) 12.965 6.274 ( -2.698 9.309 0.309) 9.697 6.445 ( -1.314 -7.768 0.091) 7.879 7.056 ( 3.857 9.681 -0.562) 10.436 7.254 ( 5.278 -10.189 4.875) 12.468 7.535 ( -2.368 7.541 0.820) 7.947 7.671 ( -4.570 -6.596 -0.169) 8.026 8.535 ( 2.300 2.284 -0.507) 3.281 8.546 ( 3.570 0.610 -0.979) 3.751 8.859 ( 1.790 13.460 -1.855) 13.704 9.136 ( 5.944 -14.114 -0.975) 15.345 10.017 ( 5.959 5.405 1.751) 8.233 10.131 ( 4.454 -5.889 2.183) 7.700 10.466 ( -5.078 8.122 -1.874) 9.760 10.621 ( -7.510 -7.663 -1.567) 10.843 11.441 ( -3.796 2.566 -1.044) 4.699 11.467 ( -3.266 0.028 -0.268) 3.277 11.758 ( 0.666 0.568 0.253) 0.911 11.814 ( 0.825 -4.690 -0.871) 4.841 12.605 ( 0.914 0.904 2.005) 2.381 12.646 ( -0.416 -3.086 0.954) 3.257 13.399 ( 1.919 6.310 1.563) 6.778 13.478 ( 1.955 -1.814 0.534) 2.720 17.896 ( -0.014 2.398 -0.334) 2.422 17.953 ( -1.502 -3.427 -0.082) 3.743 22.955 ( -1.939 6.671 0.789) 6.992 23.099 ( -2.497 -7.919 0.580) 8.324 23.709 ( -2.523 4.744 -1.983) 5.727 23.811 ( -4.048 -6.297 -2.921) 8.035 26.021 ( 5.850 11.975 -0.743) 13.348 26.233 ( 6.290 -10.279 1.040) 12.096 ======================= Grid point 284 (157/185) ======================= q-point: (-0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -3.345 8.452 1.089) 9.154 2.280 ( -0.537 0.413 -2.258) 2.358 2.414 ( 3.525 5.925 3.020) 7.527 2.443 ( 2.968 -0.832 -0.995) 3.239 2.459 ( -5.667 3.547 0.591) 6.712 2.587 ( -2.507 -6.755 -0.136) 7.207 2.789 ( 5.586 6.405 -1.111) 8.571 2.902 ( 3.984 -2.163 -1.047) 4.653 3.126 ( 4.798 3.791 0.966) 6.191 3.230 ( 3.322 -4.125 -0.796) 5.356 3.619 ( 2.017 9.674 0.176) 9.883 3.770 ( -4.337 -0.419 3.671) 5.698 3.799 ( 1.870 -5.463 1.613) 5.995 3.881 ( -4.369 -7.932 1.813) 9.236 4.217 ( -1.831 6.078 0.387) 6.360 4.331 ( 1.036 -5.437 -1.776) 5.813 4.755 ( -0.469 11.045 -0.286) 11.059 4.879 ( -0.384 -0.236 -0.703) 0.835 5.114 ( 0.495 4.273 1.471) 4.546 5.223 ( -0.012 -3.167 -4.731) 5.693 5.405 ( -1.940 -1.580 -0.695) 2.597 5.480 ( 0.131 -5.646 -3.841) 6.830 5.607 ( -2.980 9.342 3.008) 10.257 5.843 ( -3.059 -12.262 2.631) 12.908 6.240 ( -2.034 10.187 1.538) 10.501 6.438 ( 0.068 -10.013 0.145) 10.015 7.114 ( 4.407 12.626 -3.080) 13.723 7.354 ( 2.600 -11.577 0.811) 11.893 7.523 ( 0.044 5.280 1.564) 5.507 7.620 ( -1.186 -4.636 2.321) 5.318 8.545 ( -0.507 2.874 -0.842) 3.037 8.582 ( 1.271 -0.038 -2.133) 2.483 8.841 ( -2.148 15.644 -1.595) 15.871 9.156 ( -2.429 -15.674 -2.045) 15.992 10.066 ( -1.780 5.387 -0.269) 5.680 10.178 ( -1.096 -5.677 0.314) 5.791 10.458 ( 6.087 6.437 -1.738) 9.028 10.589 ( 5.674 -6.812 -0.300) 8.871 11.387 ( -2.021 2.388 0.885) 3.251 11.428 ( -1.242 -1.756 1.279) 2.502 11.778 ( 1.633 1.726 -0.163) 2.381 11.829 ( 1.833 -3.274 -1.746) 4.139 12.618 ( -1.481 -0.378 1.838) 2.390 12.638 ( -1.067 -1.992 1.074) 2.502 13.416 ( -1.069 6.228 1.020) 6.400 13.494 ( -0.388 -1.796 -0.075) 1.839 17.891 ( -0.335 2.255 -0.158) 2.285 17.946 ( 0.669 -3.324 0.227) 3.398 22.952 ( 0.981 6.532 0.897) 6.666 23.095 ( 1.463 -7.954 0.716) 8.119 23.689 ( 1.602 4.073 -1.154) 4.526 23.769 ( 1.228 -4.679 -1.284) 5.005 26.046 ( -2.103 12.641 -1.661) 12.922 26.277 ( -1.572 -11.568 -0.783) 11.700 ======================= Grid point 285 (158/185) ======================= q-point: (-0.33 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -7.539 9.723 0.333) 12.307 2.242 ( -0.887 -1.814 -1.925) 2.790 2.315 ( -9.217 9.301 -1.489) 13.179 2.419 ( -3.748 -0.034 -1.473) 4.027 2.527 ( 5.977 1.514 -0.810) 6.218 2.601 ( 3.660 -4.849 0.377) 6.087 2.863 ( 4.655 3.550 -2.606) 6.408 2.947 ( 3.593 -2.524 -4.951) 6.618 3.249 ( 7.629 3.436 0.769) 8.402 3.280 ( 4.084 0.863 -1.853) 4.567 3.677 ( 1.142 7.433 2.104) 7.809 3.701 ( -5.477 0.704 3.830) 6.721 3.836 ( 0.582 -6.053 1.462) 6.254 3.911 ( 7.023 -7.513 2.713) 10.636 4.175 ( -2.874 7.313 0.544) 7.877 4.316 ( -1.495 -6.522 -0.510) 6.710 4.704 ( -3.850 11.694 -1.656) 12.422 4.850 ( -2.020 -0.797 -0.668) 2.272 5.148 ( 0.889 2.254 1.883) 3.068 5.200 ( 0.701 -0.836 -2.594) 2.814 5.384 ( -2.485 -1.170 3.049) 4.104 5.488 ( 1.975 -6.370 0.263) 6.674 5.579 ( -1.130 7.232 1.649) 7.503 5.799 ( -3.307 -12.040 2.019) 12.649 6.221 ( -2.004 10.826 2.557) 11.303 6.434 ( -1.559 -11.180 1.419) 11.377 7.153 ( 2.971 10.944 -5.575) 12.636 7.339 ( -2.337 -7.690 -3.516) 8.772 7.563 ( 3.674 5.930 1.080) 7.059 7.686 ( 5.403 -7.069 3.597) 9.596 8.501 ( -4.215 6.622 -1.418) 7.976 8.542 ( -3.084 3.918 -3.565) 6.129 8.785 ( -2.553 6.562 -0.248) 7.045 9.028 ( -9.595 -15.044 -2.627) 18.035 9.997 ( -3.962 5.161 -1.948) 6.792 10.108 ( -4.911 -6.076 -1.571) 7.969 10.623 ( 12.662 7.556 -1.871) 14.864 10.766 ( 12.808 -7.180 0.397) 14.688 11.386 ( 0.033 2.970 3.460) 4.560 11.447 ( 1.068 -3.156 3.908) 5.135 11.806 ( 1.818 1.988 -1.931) 3.314 11.848 ( 2.063 -2.341 -2.216) 3.827 12.582 ( -3.490 1.060 1.223) 3.847 12.626 ( -1.756 -3.125 1.679) 3.958 13.380 ( -3.111 6.382 -0.321) 7.108 13.465 ( -2.276 -2.339 -1.105) 3.445 17.888 ( 0.082 3.892 0.201) 3.898 17.973 ( 1.863 -4.852 0.636) 5.236 23.004 ( 3.972 7.179 1.235) 8.297 23.158 ( 4.656 -8.489 1.528) 9.802 23.747 ( 5.726 4.785 -0.619) 7.488 23.833 ( 6.391 -4.541 0.157) 7.842 25.925 ( -9.489 12.700 -2.817) 16.101 26.167 ( -9.274 -12.678 -2.796) 15.955 ======================= Grid point 286 (159/185) ======================= q-point: (-0.22 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -9.747 12.735 -0.281) 16.040 2.114 ( -9.958 3.518 -1.727) 10.702 2.236 ( 0.351 1.062 -4.798) 4.927 2.326 ( -3.548 0.375 -3.116) 4.737 2.605 ( 3.552 1.212 -3.633) 5.224 2.640 ( 0.696 -2.303 -2.884) 3.756 2.938 ( 5.473 -1.271 -1.370) 5.784 2.961 ( 3.232 -2.998 -5.329) 6.916 3.346 ( 4.291 3.642 -0.770) 5.681 3.386 ( 6.914 0.358 -0.401) 6.935 3.630 ( -4.238 1.702 4.995) 6.768 3.674 ( -3.075 0.945 4.075) 5.192 3.951 ( 7.241 2.995 1.873) 8.056 4.021 ( 1.594 2.888 2.292) 4.016 4.180 ( 5.577 2.578 -0.433) 6.159 4.292 ( -0.073 -5.817 0.614) 5.850 4.624 ( -3.323 11.425 -1.166) 11.956 4.808 ( -2.717 -4.322 0.386) 5.119 5.133 ( -3.001 1.903 -0.316) 3.568 5.211 ( -0.952 -4.374 2.921) 5.345 5.360 ( -1.576 4.552 3.254) 5.813 5.529 ( 0.978 -6.449 2.606) 7.024 5.600 ( 1.573 2.410 0.895) 3.014 5.778 ( 0.347 -10.740 0.093) 10.746 6.208 ( -2.154 9.895 3.855) 10.836 6.399 ( -4.219 -9.981 3.171) 11.291 7.119 ( -0.880 7.302 -7.939) 10.822 7.255 ( -2.671 -6.474 -5.582) 8.956 7.675 ( 8.145 7.793 0.211) 11.274 7.822 ( 6.991 -7.556 1.632) 10.422 8.357 ( -9.547 12.180 -1.701) 15.569 8.460 ( -3.909 2.513 -2.604) 5.327 8.756 ( -1.058 -3.616 0.434) 3.793 8.814 ( -11.392 -10.198 -1.964) 15.416 9.914 ( -3.282 4.289 -3.050) 6.203 10.010 ( -4.337 -5.441 -2.244) 7.311 10.841 ( 13.281 9.734 -1.964) 16.583 11.013 ( 14.276 -7.905 0.507) 16.327 11.435 ( 1.556 3.685 5.500) 6.801 11.512 ( 1.881 -3.850 5.542) 7.005 11.791 ( -1.228 2.951 -3.875) 5.024 11.866 ( 1.133 -4.518 -1.987) 5.064 12.525 ( -3.686 3.210 1.123) 5.015 12.599 ( -2.538 -4.136 1.481) 5.074 13.310 ( -3.509 6.526 -2.102) 7.702 13.405 ( -2.848 -3.137 -2.248) 4.797 17.898 ( 0.652 5.600 0.544) 5.664 18.015 ( 1.979 -6.352 0.982) 6.726 23.100 ( 5.201 7.903 1.509) 9.581 23.271 ( 5.865 -9.501 2.905) 11.538 23.880 ( 9.998 6.353 -0.684) 11.866 23.986 ( 10.252 -4.777 0.512) 11.322 25.686 ( -14.334 11.841 -3.643) 18.945 25.922 ( -14.978 -13.160 -4.064) 20.348 ======================= Grid point 287 (160/185) ======================= q-point: (-0.11 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -6.302 14.083 1.377) 15.490 1.949 ( -6.786 5.707 -1.325) 8.965 2.174 ( -1.893 -1.395 -6.553) 6.962 2.278 ( 0.548 -3.341 -3.893) 5.160 2.560 ( -1.862 0.058 -10.290) 10.458 2.595 ( -2.087 -3.043 -5.202) 6.378 2.971 ( 2.361 1.422 -2.477) 3.706 3.034 ( 3.385 -3.596 1.349) 5.119 3.383 ( 0.312 6.493 -0.087) 6.501 3.492 ( 5.091 -4.415 0.615) 6.766 3.649 ( 1.172 1.524 4.451) 4.849 3.661 ( -1.268 1.481 2.861) 3.462 3.989 ( -2.356 9.262 5.080) 10.823 4.078 ( 1.349 1.300 0.586) 1.963 4.299 ( 6.138 6.235 1.130) 8.822 4.376 ( 7.773 -3.832 0.215) 8.669 4.592 ( 1.076 10.074 -0.570) 10.148 4.749 ( -4.961 -2.001 0.645) 5.388 5.074 ( -2.887 -2.823 1.543) 4.322 5.167 ( -5.700 -9.727 2.411) 11.529 5.415 ( 4.479 6.980 3.233) 8.901 5.564 ( 0.917 -0.297 1.767) 2.013 5.621 ( 0.250 -2.480 1.148) 2.744 5.794 ( 1.449 -11.145 -2.176) 11.447 6.210 ( -0.865 7.225 4.452) 8.530 6.344 ( -4.554 -6.614 3.997) 8.970 7.022 ( -2.371 6.305 -9.096) 11.318 7.173 ( -1.555 -8.863 -5.938) 10.781 7.827 ( 8.685 6.458 -0.798) 10.853 7.935 ( 4.699 -4.650 -0.382) 6.621 8.187 ( -7.822 11.834 -0.630) 14.199 8.356 ( -5.614 -3.234 -1.466) 6.643 8.645 ( -6.191 -0.506 -0.376) 6.223 8.748 ( -0.518 -8.315 0.849) 8.374 9.840 ( -2.317 3.779 -3.321) 5.539 9.929 ( -2.853 -5.221 -2.212) 6.348 11.045 ( 10.899 13.112 -1.627) 17.128 11.255 ( 12.158 -8.027 0.345) 14.573 11.517 ( 2.715 3.443 5.829) 7.294 11.584 ( 1.351 -2.929 5.252) 6.163 11.710 ( -4.502 3.644 -3.081) 6.561 11.834 ( -3.441 -9.027 -1.939) 9.853 12.480 ( -2.032 4.375 0.870) 4.902 12.564 ( -2.277 -4.085 0.938) 4.770 13.236 ( -2.356 6.685 -3.416) 7.868 13.342 ( -1.935 -4.028 -2.916) 5.336 17.915 ( 0.666 6.739 0.663) 6.804 18.052 ( 1.266 -7.279 1.091) 7.469 23.189 ( 2.983 8.758 1.869) 9.439 23.386 ( 3.348 -11.168 4.313) 12.431 24.080 ( 13.047 6.995 -1.779) 14.911 24.180 ( 11.256 -3.147 -1.135) 11.742 25.403 ( -13.434 9.712 -3.410) 16.924 25.614 ( -15.466 -12.804 -3.522) 20.386 ======================= Grid point 324 (161/185) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 -0.000) 0.000 1.844 ( -0.000 0.000 0.000) 0.000 2.000 ( -0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 -0.000) 0.000 2.665 ( -0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.348 ( -0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.957 ( -0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.616 ( -0.000 0.000 -0.000) 0.000 5.617 ( 0.000 0.000 0.000) 0.000 5.749 ( -0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.211 ( -0.000 0.000 0.000) 0.000 6.816 ( -0.000 0.000 0.000) 0.000 7.172 ( -0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.522 ( -0.000 0.000 0.000) 0.000 7.734 ( -0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 8.519 ( -0.000 0.000 0.000) 0.000 8.928 ( -0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 -0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 9.800 ( -0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 11.229 ( -0.000 0.000 0.000) 0.000 11.412 ( 0.000 0.000 0.000) 0.000 11.693 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 12.309 ( -0.000 0.000 0.000) 0.000 12.451 ( 0.000 0.000 0.000) 0.000 12.552 ( 0.000 0.000 0.000) 0.000 13.386 ( -0.000 0.000 -0.000) 0.000 13.414 ( 0.000 0.000 0.000) 0.000 17.677 ( 0.000 0.000 0.000) 0.000 18.424 ( 0.000 0.000 0.000) 0.000 23.003 ( 0.000 0.000 0.000) 0.000 23.084 ( -0.000 0.000 0.000) 0.000 23.655 ( -0.000 0.000 0.000) 0.000 24.036 ( 0.000 0.000 0.000) 0.000 25.176 ( -0.000 0.000 0.000) 0.000 26.892 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 326 (162/185) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 7.971 0.000 9.733) 12.580 1.813 ( 4.295 0.000 -11.911) 12.662 1.950 ( -0.663 0.000 -10.024) 10.046 2.010 ( 13.770 0.000 5.859) 14.965 2.219 ( 0.799 0.000 -0.218) 0.828 2.543 ( -5.455 0.000 -12.306) 13.461 2.783 ( -2.477 0.000 -1.031) 2.683 2.911 ( -8.433 0.000 0.589) 8.453 3.087 ( 0.671 0.000 1.928) 2.042 3.238 ( 4.085 0.000 -1.887) 4.500 3.405 ( 3.519 0.000 2.046) 4.070 3.503 ( -0.250 0.000 0.407) 0.478 3.558 ( 5.184 0.000 9.058) 10.436 3.865 ( -8.382 0.000 -0.317) 8.388 3.975 ( 1.076 0.000 -0.235) 1.101 4.186 ( 3.767 0.000 4.671) 6.001 4.355 ( -6.394 0.000 3.186) 7.144 4.691 ( 5.007 0.000 -3.572) 6.151 5.276 ( -1.628 0.000 1.645) 2.315 5.620 ( 2.656 0.000 -4.289) 5.045 5.629 ( 0.654 0.000 1.196) 1.363 5.731 ( -0.205 0.000 0.177) 0.271 5.884 ( 5.389 0.000 2.201) 5.821 5.901 ( -12.116 0.000 -4.744) 13.012 6.367 ( 4.547 0.000 1.488) 4.785 6.929 ( 13.581 0.000 -0.495) 13.590 6.981 ( -19.326 0.000 2.610) 19.502 7.351 ( -10.150 0.000 -1.982) 10.341 7.547 ( 2.573 0.000 0.282) 2.589 7.658 ( -2.671 0.000 -11.877) 12.173 7.864 ( 2.171 0.000 6.770) 7.110 8.504 ( -1.711 0.000 -0.065) 1.713 9.132 ( 16.855 0.000 7.817) 18.579 9.260 ( -5.506 0.000 -5.871) 8.049 9.666 ( -0.333 0.000 4.932) 4.943 9.800 ( -0.062 0.000 0.190) 0.200 10.214 ( 2.880 0.000 -0.422) 2.911 11.227 ( -0.350 0.000 0.225) 0.416 11.416 ( 0.294 0.000 0.323) 0.437 11.632 ( -5.564 0.000 -1.606) 5.791 11.788 ( 0.197 0.000 -0.219) 0.295 12.374 ( 5.520 0.000 0.330) 5.530 12.441 ( -1.055 0.000 0.193) 1.073 12.566 ( 1.470 0.000 -0.244) 1.491 13.191 ( -8.984 0.000 -9.261) 12.903 13.496 ( -1.485 0.000 8.237) 8.369 17.689 ( 1.583 0.000 -0.449) 1.645 18.402 ( -2.514 0.000 0.014) 2.514 22.968 ( -3.191 0.000 0.046) 3.191 23.092 ( 0.929 0.000 -0.091) 0.934 23.645 ( -1.099 0.000 0.151) 1.109 24.154 ( 15.235 0.000 -8.479) 17.435 25.157 ( -2.121 0.000 -1.158) 2.416 26.861 ( -6.512 0.000 9.238) 11.302 ======================= Grid point 327 (163/185) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 11.295 0.000 11.963) 16.453 1.746 ( 0.046 0.000 -18.861) 18.861 1.859 ( 1.138 0.000 -13.851) 13.898 2.225 ( -0.007 0.000 -1.211) 1.211 2.293 ( 12.537 0.000 -12.062) 17.398 2.453 ( 2.621 0.000 12.798) 13.063 2.723 ( -0.648 0.000 -4.134) 4.185 2.724 ( -11.316 0.000 -0.560) 11.330 3.126 ( 3.622 0.000 -0.266) 3.632 3.329 ( 6.009 0.000 -0.638) 6.042 3.460 ( 0.453 0.000 0.533) 0.700 3.502 ( 1.402 0.000 -1.524) 2.070 3.698 ( -9.600 0.000 0.947) 9.646 3.758 ( 7.565 0.000 10.739) 13.136 3.994 ( 0.369 0.000 2.137) 2.169 4.257 ( -7.086 0.000 3.401) 7.860 4.304 ( 4.924 0.000 6.956) 8.523 4.745 ( 4.269 0.000 -4.499) 6.202 5.241 ( -4.098 0.000 0.464) 4.124 5.653 ( 0.486 0.000 2.420) 2.469 5.659 ( 4.651 0.000 -2.504) 5.282 5.703 ( -5.926 0.000 -3.577) 6.922 5.753 ( 3.804 0.000 -3.032) 4.864 5.978 ( 2.561 0.000 0.817) 2.688 6.373 ( -2.674 0.000 -1.342) 2.992 6.618 ( -23.039 0.000 4.638) 23.501 7.089 ( -14.806 0.000 -4.971) 15.618 7.250 ( 21.231 0.000 0.392) 21.234 7.479 ( -6.759 0.000 -11.629) 13.451 7.608 ( 3.836 0.000 0.280) 3.846 7.981 ( 4.671 0.000 6.296) 7.839 8.458 ( -3.154 0.000 -0.695) 3.229 9.075 ( -9.867 0.000 -6.726) 11.941 9.512 ( 15.059 0.000 11.696) 19.068 9.693 ( -0.903 0.000 4.958) 5.039 9.800 ( -0.183 0.000 0.378) 0.419 10.287 ( 5.772 0.000 -0.283) 5.779 11.220 ( -0.640 0.000 0.331) 0.721 11.422 ( -1.292 0.000 -0.318) 1.330 11.488 ( -8.526 0.000 -0.259) 8.530 11.802 ( 2.552 0.000 -1.501) 2.960 12.424 ( -0.970 0.000 0.265) 1.006 12.437 ( 1.314 0.000 -1.640) 2.101 12.593 ( 1.641 0.000 -0.327) 1.673 13.037 ( 0.360 0.000 -6.680) 6.689 13.489 ( -5.129 0.000 6.246) 8.082 17.728 ( 3.368 0.000 -0.633) 3.427 18.338 ( -4.713 0.000 -0.007) 4.713 22.917 ( -1.967 0.000 -0.591) 2.054 23.114 ( 1.570 0.000 -0.147) 1.577 23.620 ( -1.832 0.000 0.238) 1.847 24.354 ( 13.906 0.000 -12.830) 18.920 25.077 ( -5.050 0.000 -1.179) 5.186 26.844 ( -4.583 0.000 13.949) 14.682 ======================= Grid point 328 (164/185) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 11.949 0.000 10.476) 15.891 1.553 ( -2.992 0.000 -21.131) 21.341 1.800 ( 3.931 0.000 -13.262) 13.832 2.160 ( -7.564 0.000 -1.419) 7.696 2.349 ( 3.433 0.000 0.605) 3.486 2.552 ( -3.661 0.000 3.173) 4.845 2.570 ( -4.510 0.000 0.403) 4.528 2.831 ( 12.905 0.000 -1.464) 12.988 3.220 ( 6.358 0.000 1.075) 6.448 3.358 ( -8.092 0.000 -1.766) 8.282 3.425 ( 2.168 0.000 0.698) 2.278 3.544 ( 5.687 0.000 -3.455) 6.655 3.618 ( -0.330 0.000 0.427) 0.540 3.908 ( -0.231 0.000 6.536) 6.541 4.054 ( 4.229 0.000 4.919) 6.487 4.183 ( -2.729 0.000 3.442) 4.393 4.469 ( 7.090 0.000 8.741) 11.255 4.775 ( 2.730 0.000 -3.584) 4.505 5.114 ( -8.303 0.000 -4.728) 9.555 5.644 ( 0.260 0.000 -1.523) 1.545 5.691 ( 1.028 0.000 4.997) 5.102 5.724 ( 2.205 0.000 1.545) 2.692 5.808 ( 4.448 0.000 -7.156) 8.425 5.917 ( -7.141 0.000 -3.275) 7.856 6.288 ( -4.448 0.000 -3.007) 5.370 6.345 ( -11.162 0.000 7.673) 13.545 6.807 ( -11.232 0.000 -6.308) 12.882 7.282 ( -6.743 0.000 -7.199) 9.864 7.626 ( 16.547 0.000 1.447) 16.610 7.687 ( 8.202 0.000 -0.118) 8.203 8.104 ( 4.116 0.000 5.413) 6.800 8.385 ( -3.909 0.000 -1.981) 4.382 8.824 ( -13.254 0.000 -5.457) 14.334 9.708 ( -0.875 0.000 3.218) 3.334 9.771 ( 5.395 0.000 8.833) 10.350 9.800 ( -0.227 0.000 0.365) 0.429 10.411 ( 8.097 0.000 0.261) 8.101 11.211 ( -0.664 0.000 0.277) 0.719 11.213 ( -14.698 0.000 -3.097) 15.021 11.484 ( 1.399 0.000 2.409) 2.786 11.863 ( 5.420 0.000 -1.039) 5.519 12.412 ( -0.540 0.000 0.234) 0.588 12.428 ( 0.454 0.000 -2.149) 2.197 12.615 ( 1.162 0.000 -0.274) 1.194 13.085 ( 7.682 0.000 -3.802) 8.571 13.422 ( -6.835 0.000 4.474) 8.169 17.797 ( 4.897 0.000 -0.480) 4.920 18.242 ( -5.976 0.000 -0.039) 5.976 22.895 ( -0.179 0.000 -0.597) 0.623 23.142 ( 1.582 0.000 -0.141) 1.588 23.589 ( -1.814 0.000 0.219) 1.827 24.379 ( -0.039 0.000 -12.301) 12.301 25.029 ( 0.683 0.000 0.698) 0.976 26.901 ( -0.587 0.000 11.233) 11.248 ======================= Grid point 329 (165/185) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -1.555 0.000 -8.929) 9.063 1.475 ( 7.429 0.000 6.311) 9.748 1.808 ( 7.750 0.000 -9.916) 12.585 1.960 ( -13.195 0.000 1.713) 13.306 2.421 ( 2.508 0.000 3.233) 4.091 2.492 ( -2.855 0.000 -1.561) 3.254 2.558 ( 0.819 0.000 0.534) 0.978 2.979 ( 4.431 0.000 -0.822) 4.507 3.202 ( -5.586 0.000 -0.651) 5.624 3.315 ( 2.164 0.000 1.412) 2.584 3.463 ( 1.138 0.000 -0.025) 1.138 3.629 ( 0.579 0.000 -0.067) 0.582 3.632 ( 5.527 0.000 -3.199) 6.386 3.902 ( -2.836 0.000 3.796) 4.739 4.105 ( 0.109 0.000 0.750) 0.758 4.258 ( 4.292 0.000 3.222) 5.367 4.678 ( 8.837 0.000 9.005) 12.617 4.787 ( 0.794 0.000 -1.518) 1.713 4.905 ( -9.447 0.000 -7.818) 12.262 5.632 ( -8.461 0.000 -1.772) 8.644 5.646 ( 0.326 0.000 -0.441) 0.548 5.754 ( 1.515 0.000 3.157) 3.501 5.768 ( 0.764 0.000 -0.451) 0.887 5.933 ( 4.270 0.000 -2.086) 4.752 6.199 ( -2.551 0.000 -2.070) 3.285 6.275 ( -3.165 0.000 3.054) 4.398 6.634 ( -4.115 0.000 -2.623) 4.880 7.161 ( -2.597 0.000 -2.293) 3.464 7.709 ( 1.287 0.000 0.153) 1.296 7.992 ( 14.447 0.000 1.316) 14.507 8.206 ( 3.426 0.000 4.491) 5.649 8.297 ( -3.691 0.000 -3.381) 5.006 8.555 ( -11.541 0.000 -2.922) 11.905 9.713 ( -0.349 0.000 1.094) 1.149 9.798 ( -0.100 0.000 0.142) 0.174 9.859 ( 0.610 0.000 3.013) 3.074 10.555 ( 6.652 0.000 0.397) 6.664 10.961 ( -9.672 0.000 -1.741) 9.828 11.203 ( -0.288 0.000 0.106) 0.306 11.514 ( 0.543 0.000 0.757) 0.932 11.949 ( 3.265 0.000 0.315) 3.280 12.408 ( -0.159 0.000 0.095) 0.186 12.427 ( 0.377 0.000 -0.829) 0.911 12.628 ( 0.413 0.000 -0.107) 0.427 13.205 ( 8.340 0.000 -3.174) 8.924 13.322 ( -7.732 0.000 3.467) 8.474 17.878 ( 3.630 0.000 -0.166) 3.634 18.145 ( -4.025 0.000 -0.023) 4.025 22.895 ( 0.263 0.000 -0.185) 0.321 23.162 ( 0.698 0.000 -0.060) 0.700 23.566 ( -0.790 0.000 0.091) 0.795 24.266 ( -2.653 0.000 -4.751) 5.441 25.068 ( 1.710 0.000 0.334) 1.743 26.960 ( 0.226 0.000 4.088) 4.095 ======================= Grid point 334 (166/185) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.000 18.597 0.000) 18.597 1.818 ( 0.000 1.310 -0.000) 1.310 1.839 ( -0.000 1.090 0.000) 1.090 2.182 ( -0.000 13.419 0.000) 13.419 2.203 ( 0.000 -1.098 -0.000) 1.098 2.659 ( -0.000 -0.686 0.000) 0.686 2.782 ( 0.000 -0.702 0.000) 0.702 3.101 ( 0.000 3.216 0.000) 3.216 3.111 ( -0.000 12.873 0.000) 12.873 3.248 ( 0.000 0.641 0.000) 0.641 3.418 ( 0.000 -2.458 -0.000) 2.458 3.446 ( -0.000 8.197 0.000) 8.197 3.535 ( 0.000 2.919 0.000) 2.919 3.928 ( -0.000 -3.593 -0.000) 3.593 4.010 ( -0.000 4.936 -0.000) 4.936 4.141 ( 0.000 2.155 0.000) 2.155 4.414 ( 0.000 0.874 0.000) 0.874 4.615 ( 0.000 -3.447 -0.000) 3.447 5.339 ( -0.000 4.560 -0.000) 4.560 5.600 ( -0.000 -2.080 0.000) 2.080 5.606 ( -0.000 -1.670 -0.000) 1.670 5.753 ( -0.000 1.529 0.000) 1.529 5.780 ( 0.000 -2.254 -0.000) 2.254 6.058 ( 0.000 -7.561 0.000) 7.561 6.227 ( -0.000 1.212 0.000) 1.212 6.680 ( 0.000 -9.285 0.000) 9.285 7.287 ( -0.000 -14.380 0.000) 14.380 7.348 ( 0.000 13.620 -0.000) 13.620 7.571 ( -0.000 4.947 0.000) 4.947 7.724 ( -0.000 0.380 -0.000) 0.380 7.784 ( 0.000 -4.190 0.000) 4.190 8.479 ( 0.000 -3.834 0.000) 3.834 8.889 ( -0.000 -4.026 0.000) 4.026 9.293 ( 0.000 -4.503 -0.000) 4.503 9.648 ( -0.000 0.237 0.000) 0.237 9.978 ( -0.000 16.466 0.000) 16.466 10.167 ( -0.000 -2.376 0.000) 2.376 11.247 ( -0.000 1.790 0.000) 1.790 11.425 ( 0.000 1.557 0.000) 1.557 11.688 ( 0.000 -0.476 0.000) 0.476 11.781 ( 0.000 -0.808 0.000) 0.808 12.315 ( -0.000 0.700 0.000) 0.700 12.501 ( 0.000 4.480 -0.000) 4.480 12.559 ( 0.000 -0.184 0.000) 0.184 13.221 ( -0.000 -14.708 -0.000) 14.708 13.397 ( 0.000 -1.496 0.000) 1.496 17.687 ( 0.000 1.104 0.000) 1.104 18.401 ( -0.000 -2.428 0.000) 2.428 23.003 ( 0.000 0.182 0.000) 0.182 23.318 ( -0.000 21.857 0.000) 21.857 23.700 ( -0.000 4.352 0.000) 4.352 24.026 ( 0.000 -1.049 0.000) 1.049 25.158 ( -0.000 -1.737 0.000) 1.737 26.681 ( 0.000 -20.505 0.000) 20.505 ======================= Grid point 336 (167/185) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 9.073 18.231 4.910) 20.948 1.773 ( -1.642 -5.653 -7.961) 9.901 1.872 ( 9.047 3.115 -13.773) 16.770 2.188 ( -1.861 7.382 6.220) 9.831 2.286 ( 7.996 6.048 3.838) 10.735 2.614 ( -2.104 7.894 -8.906) 12.085 2.752 ( -2.014 -2.214 -0.279) 3.006 3.023 ( -9.095 9.941 0.440) 13.481 3.086 ( -0.873 1.154 1.182) 1.868 3.300 ( 4.959 5.217 -3.279) 7.909 3.404 ( 2.112 -2.615 -3.758) 5.042 3.536 ( 2.719 1.954 10.443) 10.967 3.544 ( 1.494 4.034 0.315) 4.314 3.906 ( -4.200 0.662 -0.975) 4.362 3.950 ( -2.156 0.182 0.737) 2.286 4.212 ( 3.170 2.697 6.085) 7.372 4.349 ( -7.315 -0.411 3.748) 8.229 4.672 ( 6.532 -1.608 -4.277) 7.971 5.325 ( -1.833 3.949 0.411) 4.373 5.585 ( -1.307 -3.863 0.654) 4.130 5.608 ( 1.180 -2.169 -2.374) 3.425 5.746 ( 0.088 1.619 -2.019) 2.589 5.836 ( 1.310 -3.369 2.401) 4.340 5.903 ( -5.076 -0.579 -2.915) 5.882 6.340 ( 3.780 -3.006 0.048) 4.830 6.751 ( 7.281 -9.251 -0.910) 11.808 7.102 ( -15.422 -1.825 3.554) 15.932 7.306 ( -6.048 1.792 -1.739) 6.544 7.595 ( 2.266 4.703 -0.108) 5.221 7.660 ( -2.208 -0.624 -10.481) 10.729 7.864 ( 5.019 0.855 6.485) 8.245 8.461 ( -1.880 -4.057 -0.251) 4.479 9.052 ( 13.784 -6.809 5.668) 16.385 9.229 ( -4.617 -3.487 -4.846) 7.547 9.671 ( 0.159 0.211 4.882) 4.889 9.979 ( -0.554 16.219 1.422) 16.290 10.190 ( 2.795 -2.529 -0.283) 3.780 11.245 ( -0.532 1.761 0.467) 1.898 11.426 ( 0.078 1.104 -0.207) 1.126 11.622 ( -6.124 -0.845 -1.309) 6.319 11.784 ( 0.525 -0.426 -0.158) 0.694 12.354 ( 2.524 -0.783 -0.346) 2.666 12.513 ( 1.682 5.673 0.199) 5.921 12.559 ( 0.128 -1.855 -0.508) 1.927 13.111 ( -5.909 -7.658 -5.644) 11.198 13.435 ( -0.510 -4.481 5.439) 7.066 17.697 ( 1.416 0.965 -0.417) 1.764 18.379 ( -2.462 -2.400 -0.032) 3.438 22.966 ( -3.950 0.167 0.321) 3.966 23.273 ( -3.481 16.322 0.846) 16.711 23.682 ( -2.332 3.346 0.252) 4.086 24.171 ( 17.352 1.884 -9.284) 19.769 25.140 ( -1.860 -1.450 -0.889) 2.521 26.673 ( -3.744 -18.186 8.598) 20.461 ======================= Grid point 337 (168/185) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 11.098 16.273 6.899) 20.870 1.665 ( 0.600 -4.004 -16.500) 16.989 1.926 ( 8.239 3.085 -14.143) 16.656 2.200 ( -0.818 4.690 1.680) 5.049 2.455 ( -2.639 1.904 6.665) 7.417 2.524 ( 3.910 11.627 -2.702) 12.561 2.748 ( 5.819 4.483 -3.739) 8.243 2.822 ( -11.853 8.401 -1.156) 14.574 3.113 ( 2.659 -0.134 0.745) 2.765 3.365 ( 3.994 2.683 -1.502) 5.041 3.408 ( 1.608 -4.593 -3.028) 5.732 3.560 ( -1.369 3.151 -0.021) 3.436 3.637 ( -0.602 1.871 3.565) 4.070 3.872 ( 1.913 5.811 8.355) 10.356 3.952 ( 1.119 -3.938 0.723) 4.157 4.245 ( -7.123 -0.933 3.835) 8.144 4.325 ( 3.562 2.217 8.287) 9.288 4.742 ( 5.142 -0.064 -5.295) 7.381 5.271 ( -4.815 2.250 -0.747) 5.367 5.540 ( -5.251 -9.591 2.575) 11.233 5.634 ( 3.321 -1.544 -3.035) 4.757 5.697 ( -1.225 -0.640 -2.639) 2.979 5.815 ( 3.521 3.826 -4.664) 6.985 5.967 ( 4.163 -0.592 2.548) 4.917 6.313 ( -3.729 -6.309 -4.526) 8.613 6.661 ( -18.708 3.916 4.276) 19.586 7.020 ( -2.341 -7.857 0.845) 8.242 7.226 ( 4.865 0.923 -3.662) 6.159 7.507 ( -3.548 0.699 -7.242) 8.095 7.666 ( 4.196 5.782 -0.050) 7.144 8.013 ( 6.490 3.206 4.828) 8.701 8.411 ( -3.216 -4.399 -1.041) 5.548 9.058 ( -9.034 -1.954 -5.611) 10.813 9.373 ( 13.718 -9.573 7.216) 18.218 9.716 ( 0.294 0.671 5.960) 6.005 9.977 ( -1.694 14.541 3.079) 14.959 10.263 ( 5.697 -2.503 -0.052) 6.223 11.230 ( -1.810 0.701 0.299) 1.964 11.415 ( -2.923 -0.602 -1.651) 3.410 11.483 ( -6.818 -0.210 0.915) 6.883 11.801 ( 2.225 -0.114 -1.373) 2.617 12.326 ( -3.772 -5.396 -3.400) 7.410 12.552 ( 2.278 5.069 -0.461) 5.577 12.585 ( 2.941 0.244 1.232) 3.198 13.032 ( 2.175 -0.226 -4.401) 4.914 13.436 ( -3.728 -4.262 4.919) 7.501 17.732 ( 3.056 0.556 -0.589) 3.162 18.316 ( -4.583 -2.284 -0.085) 5.122 22.896 ( -3.449 -0.880 -0.104) 3.561 23.243 ( -0.453 10.941 0.180) 10.952 23.627 ( -3.793 0.485 -0.073) 3.824 24.370 ( 11.839 0.792 -13.332) 17.847 25.089 ( -2.127 1.961 -0.043) 2.893 26.709 ( -1.062 -13.041 12.882) 18.362 ======================= Grid point 338 (169/185) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 11.305 11.541 4.127) 16.674 1.569 ( 0.951 4.928 -11.514) 12.560 1.931 ( 4.888 7.867 -14.672) 17.351 2.159 ( -4.763 4.357 -1.128) 6.553 2.425 ( -1.287 5.619 3.336) 6.660 2.534 ( -3.114 -1.163 2.092) 3.928 2.643 ( -6.931 6.207 0.721) 9.332 2.910 ( 9.961 7.149 -2.452) 12.504 3.195 ( 5.416 -1.871 1.837) 6.017 3.346 ( -5.402 -0.894 -1.827) 5.772 3.447 ( 3.249 -4.705 -0.697) 5.760 3.490 ( -1.457 1.422 -1.184) 2.355 3.661 ( 3.216 6.383 -1.205) 7.248 3.956 ( -0.268 2.037 3.730) 4.258 4.057 ( 5.093 0.603 6.134) 7.995 4.190 ( -0.307 1.272 5.009) 5.177 4.474 ( 6.083 0.265 8.935) 10.812 4.775 ( 2.723 0.210 -4.066) 4.898 5.132 ( -8.238 1.633 -4.820) 9.683 5.452 ( -7.354 -14.772 2.255) 16.654 5.634 ( 0.512 -1.099 -1.863) 2.223 5.720 ( 2.599 -1.883 -1.191) 3.423 5.879 ( 7.954 3.933 -6.021) 10.723 6.016 ( -0.069 2.947 -0.312) 2.965 6.185 ( -4.983 -7.527 -6.138) 10.916 6.379 ( -16.345 5.329 8.338) 19.107 6.916 ( -5.981 7.510 0.007) 9.601 7.209 ( -3.641 -5.574 -8.723) 10.973 7.597 ( 12.658 -2.893 2.298) 13.186 7.748 ( 5.399 5.881 0.774) 8.021 8.159 ( 6.676 4.726 3.405) 8.860 8.334 ( -3.946 -4.466 -2.694) 6.540 8.830 ( -12.215 0.345 -4.298) 12.954 9.590 ( 5.879 -7.708 3.729) 10.386 9.774 ( 1.976 1.321 4.377) 4.981 9.960 ( -3.580 10.552 4.340) 11.958 10.385 ( 7.847 -2.602 0.460) 8.280 11.142 ( -10.332 -4.270 -1.586) 11.292 11.270 ( -4.730 3.059 -1.471) 5.821 11.478 ( 0.602 -0.421 2.597) 2.699 11.848 ( 4.452 -1.364 -1.543) 4.905 12.234 ( -2.804 -9.402 -3.277) 10.344 12.600 ( 2.963 6.685 0.175) 7.314 12.638 ( 1.721 3.301 1.085) 3.877 13.093 ( 6.787 0.592 -3.392) 7.610 13.387 ( -5.399 -2.423 3.977) 7.130 17.796 ( 4.502 -0.066 -0.440) 4.523 18.222 ( -5.745 -2.014 -0.119) 6.089 22.856 ( -0.894 -2.248 -0.343) 2.444 23.250 ( 0.871 8.863 -0.005) 8.906 23.558 ( -3.582 -2.710 -0.142) 4.494 24.342 ( -2.542 -4.388 -11.753) 12.800 25.113 ( 3.847 8.702 1.085) 9.576 26.809 ( 1.568 -8.967 10.326) 13.766 ======================= Grid point 339 (170/185) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.415 9.412 -6.297) 11.579 1.605 ( 5.390 12.073 5.573) 14.348 1.905 ( 3.399 6.551 -10.299) 12.671 2.024 ( -8.285 8.753 1.441) 12.138 2.444 ( 0.376 1.715 1.718) 2.456 2.500 ( -1.398 1.378 0.604) 2.054 2.595 ( -0.545 3.351 0.880) 3.507 3.000 ( 2.750 1.721 -1.562) 3.600 3.211 ( -4.396 0.885 -0.045) 4.484 3.296 ( 1.596 -1.667 1.204) 2.603 3.484 ( 1.157 -9.197 -0.088) 9.270 3.495 ( 1.156 1.829 -1.116) 2.435 3.713 ( 2.872 7.012 -1.609) 7.747 3.966 ( -0.811 3.728 2.281) 4.445 4.106 ( 0.429 0.804 1.264) 1.559 4.320 ( 5.523 6.060 4.277) 9.248 4.652 ( 6.348 -3.719 4.847) 8.810 4.788 ( 1.099 0.279 2.105) 2.391 4.933 ( -8.175 2.662 -7.845) 11.639 5.326 ( -5.672 -16.134 0.004) 17.102 5.648 ( 1.265 -1.328 0.140) 1.839 5.725 ( -0.463 -4.663 -1.368) 4.881 5.976 ( 5.209 3.549 -1.885) 6.579 6.001 ( 0.513 0.362 -0.469) 0.784 6.066 ( -3.314 4.966 -5.432) 8.072 6.239 ( -6.573 -3.444 6.654) 9.967 6.847 ( -1.869 15.901 -0.057) 16.011 7.099 ( -2.239 -5.868 -3.288) 7.089 7.736 ( 2.244 1.521 0.205) 2.718 7.922 ( 9.179 -4.452 3.591) 10.815 8.234 ( -3.997 -3.215 -3.149) 6.019 8.302 ( 7.083 5.896 1.052) 9.276 8.591 ( -10.734 2.713 -1.785) 11.215 9.660 ( 1.039 -4.442 1.014) 4.673 9.842 ( 3.293 3.861 0.304) 5.084 9.918 ( -4.047 5.176 3.086) 7.258 10.526 ( 6.364 -2.972 0.519) 7.043 10.926 ( -8.965 -3.352 -1.535) 9.694 11.231 ( -0.654 2.604 -0.175) 2.691 11.500 ( 0.248 -1.275 0.869) 1.563 11.917 ( 3.038 -2.992 -0.073) 4.265 12.183 ( -1.120 -11.209 -1.298) 11.340 12.645 ( 1.683 7.961 0.182) 8.139 12.659 ( 0.072 4.643 0.375) 4.659 13.188 ( 5.775 -2.408 -2.651) 6.796 13.315 ( -5.048 1.037 2.838) 5.883 17.870 ( 3.335 -0.716 -0.142) 3.414 18.129 ( -3.795 -1.601 -0.066) 4.120 22.850 ( 0.119 -2.868 -0.135) 2.874 23.265 ( 0.612 8.571 0.005) 8.592 23.509 ( -1.592 -5.147 -0.055) 5.388 24.212 ( -2.992 -5.580 -4.430) 7.728 25.184 ( 2.371 11.223 0.403) 11.478 26.888 ( 0.889 -7.138 3.766) 8.119 ======================= Grid point 344 (171/185) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.000 20.057 0.000) 20.057 1.841 ( 0.000 -1.199 0.000) 1.199 1.914 ( -0.000 7.821 0.000) 7.821 2.184 ( -0.000 0.005 -0.000) 0.005 2.392 ( 0.000 5.822 -0.000) 5.822 2.635 ( -0.000 -2.052 0.000) 2.052 2.818 ( 0.000 3.860 0.000) 3.860 3.131 ( 0.000 -1.675 0.000) 1.675 3.231 ( -0.000 0.756 0.000) 0.756 3.411 ( 0.000 15.402 0.000) 15.402 3.497 ( -0.000 10.130 0.000) 10.130 3.615 ( 0.000 9.911 -0.000) 9.911 3.629 ( -0.000 6.766 0.000) 6.766 3.840 ( -0.000 -5.039 -0.000) 5.039 4.135 ( -0.000 7.954 -0.000) 7.954 4.202 ( 0.000 4.180 0.000) 4.180 4.453 ( -0.000 3.418 0.000) 3.418 4.539 ( 0.000 -3.599 -0.000) 3.599 5.402 ( -0.000 0.543 -0.000) 0.543 5.522 ( 0.000 -5.235 -0.000) 5.235 5.523 ( -0.000 -7.461 0.000) 7.461 5.726 ( 0.000 -4.132 0.000) 4.132 5.857 ( -0.000 8.957 -0.000) 8.957 5.880 ( 0.000 -8.708 0.000) 8.708 6.228 ( -0.000 -2.148 0.000) 2.148 6.531 ( 0.000 -6.068 0.000) 6.068 6.961 ( -0.000 -16.471 -0.000) 16.471 7.574 ( 0.000 1.353 -0.000) 1.353 7.689 ( 0.000 1.711 -0.000) 1.711 7.705 ( -0.000 8.689 0.000) 8.689 7.763 ( -0.000 3.311 -0.000) 3.311 8.394 ( 0.000 -4.268 0.000) 4.268 8.779 ( -0.000 -7.038 0.000) 7.038 9.167 ( -0.000 -8.396 -0.000) 8.396 9.658 ( 0.000 0.969 0.000) 0.969 10.090 ( -0.000 -4.634 0.000) 4.634 10.363 ( -0.000 21.087 0.000) 21.087 11.295 ( -0.000 3.094 0.000) 3.094 11.476 ( 0.000 3.613 0.000) 3.613 11.677 ( 0.000 -0.627 0.000) 0.627 11.758 ( 0.000 -1.487 0.000) 1.487 12.336 ( -0.000 1.024 0.000) 1.024 12.459 ( 0.000 -12.364 0.000) 12.364 12.585 ( 0.000 3.201 -0.000) 3.201 12.987 ( -0.000 -5.089 -0.000) 5.089 13.368 ( 0.000 -1.343 0.000) 1.343 17.725 ( 0.000 2.993 0.000) 2.993 18.332 ( -0.000 -4.711 0.000) 4.711 23.019 ( 0.000 1.826 0.000) 1.826 23.788 ( 0.000 2.753 -0.000) 2.753 23.795 ( -0.000 24.324 0.000) 24.324 24.004 ( 0.000 -0.102 0.000) 0.102 25.121 ( -0.000 -1.540 0.000) 1.540 26.191 ( 0.000 -27.656 0.000) 27.656 ======================= Grid point 346 (172/185) ======================= q-point: ( 0.11 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 10.388 19.068 -0.554) 21.721 1.709 ( -2.086 -0.642 -12.608) 12.795 1.989 ( 5.546 8.276 -6.477) 11.883 2.267 ( 0.227 1.638 12.716) 12.823 2.374 ( 0.250 1.886 3.285) 3.796 2.702 ( 3.258 -2.146 0.443) 3.926 2.814 ( 1.121 8.462 0.139) 8.537 3.093 ( -3.944 -0.317 -2.160) 4.508 3.208 ( -2.294 5.239 2.125) 6.101 3.403 ( -4.242 6.627 -4.423) 9.026 3.430 ( -0.358 8.083 -1.403) 8.211 3.637 ( 2.488 6.520 -2.495) 7.411 3.669 ( 3.448 9.646 4.342) 11.126 3.851 ( 2.006 -2.387 -3.833) 4.941 4.021 ( -8.233 4.563 1.676) 9.561 4.291 ( 1.755 5.332 7.739) 9.561 4.347 ( -8.379 0.354 4.711) 9.619 4.654 ( 9.679 0.501 -5.042) 10.925 5.354 ( -4.530 -3.230 -0.160) 5.566 5.484 ( -3.649 -4.814 -1.769) 6.294 5.542 ( 3.181 -4.841 -2.195) 6.194 5.701 ( -2.502 -5.851 -2.213) 6.737 5.878 ( 2.548 -0.084 2.830) 3.809 5.883 ( 1.293 6.046 -0.755) 6.228 6.240 ( -0.387 -7.743 -3.698) 8.590 6.609 ( 10.123 -5.593 -2.151) 11.764 6.910 ( -7.978 -11.563 5.930) 15.249 7.463 ( -10.791 9.687 1.211) 14.551 7.570 ( -3.736 -7.410 -6.588) 10.596 7.739 ( 3.313 8.793 0.432) 9.406 7.921 ( 8.974 4.592 2.531) 10.394 8.374 ( -1.910 -4.154 -0.647) 4.617 8.902 ( 11.060 -8.543 3.716) 14.461 9.124 ( -3.246 -7.258 -2.982) 8.492 9.679 ( 0.723 0.928 3.655) 3.840 10.117 ( 2.891 -4.686 0.190) 5.510 10.339 ( -3.459 19.505 1.973) 19.907 11.289 ( -1.556 2.552 0.995) 3.151 11.463 ( -0.725 2.843 -1.461) 3.278 11.604 ( -6.881 -0.925 -0.731) 6.981 11.769 ( 1.302 -1.125 -0.252) 1.739 12.351 ( -2.452 -0.926 -2.079) 3.345 12.428 ( 1.144 -11.153 -0.219) 11.214 12.614 ( 3.171 3.733 -0.085) 4.899 12.994 ( 1.081 -1.638 0.639) 2.064 13.375 ( -0.060 -1.614 1.555) 2.242 17.731 ( 0.931 2.718 -0.343) 2.894 18.311 ( -2.289 -4.631 -0.155) 5.168 22.984 ( -3.995 1.976 0.523) 4.487 23.598 ( -13.468 13.711 3.772) 19.586 23.745 ( -3.949 3.161 -1.706) 5.338 24.228 ( 17.919 3.588 -10.180) 20.919 25.123 ( 0.730 0.550 0.165) 0.929 26.243 ( 3.000 -23.993 7.367) 25.277 ======================= Grid point 347 (173/185) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 10.638 16.312 -2.564) 19.642 1.660 ( 6.486 4.358 -7.962) 11.156 2.012 ( 3.798 6.871 -8.125) 11.298 2.315 ( 0.019 4.362 5.457) 6.986 2.469 ( 1.413 -0.115 8.549) 8.665 2.656 ( -6.525 2.808 0.127) 7.104 2.904 ( 2.966 5.264 -3.232) 6.852 2.961 ( -3.069 6.308 -2.406) 7.416 3.185 ( -2.228 7.338 1.097) 7.747 3.315 ( -1.018 -2.336 -3.392) 4.243 3.416 ( -1.678 3.377 0.164) 3.775 3.654 ( 0.161 7.241 -2.065) 7.532 3.775 ( 4.295 7.880 1.215) 9.057 3.847 ( 0.854 -1.775 0.397) 2.009 3.970 ( 2.002 3.051 4.572) 5.850 4.234 ( -6.622 0.008 4.670) 8.103 4.389 ( 1.015 4.068 8.919) 9.856 4.760 ( 6.721 2.597 -5.581) 9.114 5.259 ( -6.200 -6.323 -0.242) 8.859 5.375 ( -6.451 -4.510 -2.453) 8.245 5.597 ( 4.310 -3.056 -1.991) 5.646 5.642 ( -1.169 -4.376 -3.263) 5.583 5.902 ( 3.475 5.406 -3.700) 7.415 5.977 ( 3.787 1.060 3.538) 5.290 6.135 ( -5.251 -11.566 -7.547) 14.775 6.740 ( -7.391 3.910 4.184) 9.350 6.829 ( 3.799 -10.594 2.383) 11.504 7.315 ( -5.049 7.730 -1.237) 9.315 7.468 ( -2.348 -4.890 -2.744) 6.079 7.814 ( 4.061 8.962 1.263) 9.920 8.084 ( 8.085 3.096 0.848) 8.699 8.326 ( -2.293 -2.860 -1.183) 3.852 8.993 ( -6.567 -4.796 -3.102) 8.704 9.187 ( 13.680 -9.944 4.790) 17.577 9.732 ( 1.497 1.259 4.880) 5.257 10.189 ( 4.462 -4.154 0.514) 6.118 10.278 ( -5.235 15.069 3.566) 16.346 11.228 ( -6.682 -1.433 -0.192) 6.837 11.416 ( -3.514 1.266 -3.559) 5.159 11.492 ( -4.130 1.279 2.579) 5.034 11.795 ( 1.941 -0.722 -1.002) 2.301 12.203 ( -7.570 -7.883 -5.452) 12.214 12.516 ( 5.585 -3.339 1.460) 6.669 12.681 ( 3.991 3.924 0.140) 5.598 13.043 ( 3.719 1.997 0.387) 4.239 13.382 ( -0.792 -0.565 2.235) 2.438 17.755 ( 2.151 1.921 -0.489) 2.925 18.251 ( -4.168 -4.334 -0.281) 6.019 22.904 ( -4.787 1.929 0.424) 5.179 23.449 ( -6.067 7.879 1.647) 10.080 23.641 ( -5.852 2.011 -1.798) 6.444 24.336 ( 3.112 -5.155 -12.607) 13.971 25.189 ( 6.594 8.720 1.589) 11.048 26.400 ( 6.505 -17.388 10.361) 21.260 ======================= Grid point 348 (174/185) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 9.950 12.943 -4.130) 16.840 1.780 ( 6.858 14.541 1.950) 16.195 2.013 ( 3.361 3.710 -8.198) 9.606 2.352 ( 1.140 10.010 -1.791) 10.233 2.509 ( -2.071 -0.840 3.581) 4.221 2.538 ( -6.283 6.371 2.945) 9.420 2.745 ( -7.835 2.670 -1.854) 8.482 3.034 ( 1.683 3.668 -2.350) 4.670 3.187 ( 2.220 0.317 2.627) 3.454 3.288 ( 0.176 -4.663 -3.797) 6.016 3.361 ( -4.911 1.564 1.240) 5.301 3.618 ( -1.214 8.676 -1.187) 8.841 3.827 ( 4.133 9.526 -2.042) 10.583 3.939 ( 4.994 -2.780 2.150) 6.107 4.083 ( 2.988 1.872 4.549) 5.756 4.235 ( 4.200 2.733 8.102) 9.527 4.475 ( 1.927 0.045 7.698) 7.935 4.802 ( 2.233 3.142 -5.116) 6.405 5.126 ( -7.608 -4.975 -2.202) 9.353 5.240 ( -6.622 -3.955 -1.909) 7.946 5.594 ( -0.112 -3.237 -4.252) 5.345 5.655 ( 1.562 -4.419 -1.385) 4.887 5.933 ( -4.136 -6.463 -2.671) 8.125 5.964 ( 4.708 1.231 -5.639) 7.448 6.091 ( 3.071 -1.750 -0.611) 3.587 6.548 ( -14.967 10.106 6.867) 19.321 6.913 ( 2.330 -7.600 -0.266) 7.954 7.229 ( -2.978 8.124 -4.266) 9.647 7.521 ( 7.396 -4.984 3.530) 9.592 7.879 ( 1.098 5.843 2.149) 6.322 8.204 ( 5.307 -0.952 -3.366) 6.357 8.308 ( 2.461 4.151 0.278) 4.834 8.824 ( -9.775 -1.209 -2.343) 10.124 9.433 ( 9.391 -8.960 3.683) 13.492 9.806 ( 3.403 2.061 3.871) 5.551 10.167 ( -7.555 10.073 3.805) 13.154 10.320 ( 6.660 -3.489 1.057) 7.592 11.047 ( -11.926 -5.524 -1.776) 13.262 11.332 ( -2.624 3.269 -2.230) 4.748 11.478 ( -1.109 0.719 2.769) 3.069 11.820 ( 2.279 -1.482 -1.805) 3.263 12.062 ( -3.970 -8.341 -4.136) 10.121 12.617 ( 4.378 -1.449 1.482) 4.843 12.741 ( 2.411 2.539 0.020) 3.501 13.115 ( 4.124 2.966 -0.360) 5.093 13.382 ( -1.014 2.262 2.155) 3.285 17.800 ( 3.363 0.725 -0.357) 3.459 18.166 ( -5.046 -3.721 -0.307) 6.277 22.842 ( -2.254 1.040 0.025) 2.483 23.391 ( -2.109 2.228 0.993) 3.224 23.529 ( -5.104 2.506 -1.510) 5.883 24.206 ( -5.753 -9.221 -9.613) 14.509 25.343 ( 8.091 14.123 1.336) 16.331 26.588 ( 6.012 -12.999 8.121) 16.464 ======================= Grid point 349 (175/185) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 7.405 16.563 -0.959) 18.169 1.877 ( 1.513 14.946 3.754) 15.485 1.994 ( -0.051 4.249 -5.248) 6.752 2.300 ( -2.109 16.811 -4.209) 17.457 2.458 ( -1.847 -0.159 0.007) 1.854 2.535 ( -0.514 1.363 3.864) 4.130 2.663 ( -1.691 2.574 0.491) 3.118 3.008 ( -0.953 -1.925 -1.464) 2.600 3.221 ( -1.360 -3.374 0.313) 3.652 3.263 ( 0.273 -1.603 0.029) 1.626 3.315 ( -0.666 -1.203 0.008) 1.376 3.606 ( 0.055 7.786 -0.493) 7.802 3.872 ( 1.787 8.153 -1.249) 8.439 4.005 ( 1.247 0.761 0.791) 1.662 4.152 ( 2.613 3.256 1.612) 4.475 4.451 ( 9.581 5.158 9.209) 14.255 4.559 ( 2.007 -4.879 2.880) 6.010 4.728 ( -6.298 -5.130 -5.949) 10.068 5.007 ( -2.871 4.544 -1.407) 5.556 5.135 ( -3.134 -2.854 -1.033) 4.363 5.562 ( -0.241 -7.947 -3.317) 8.614 5.631 ( -1.830 -3.393 -0.358) 3.872 5.864 ( -1.062 -6.964 -0.252) 7.049 6.054 ( 6.657 1.471 -2.969) 7.436 6.117 ( 0.278 -1.872 -1.408) 2.359 6.370 ( -8.794 13.731 4.597) 16.941 6.930 ( 0.294 -8.238 -0.020) 8.243 7.166 ( -1.248 13.771 -1.740) 13.936 7.693 ( 7.186 -5.932 2.657) 9.690 7.868 ( -3.241 -3.102 0.811) 4.559 8.226 ( 1.404 4.899 -2.506) 5.680 8.418 ( 7.706 5.257 -0.170) 9.330 8.635 ( -9.464 1.735 -0.366) 9.629 9.556 ( 2.770 -6.586 1.148) 7.237 9.908 ( 5.576 2.680 0.897) 6.251 10.053 ( -7.389 8.486 2.362) 11.497 10.447 ( 5.619 -4.957 0.763) 7.531 10.841 ( -7.975 -5.211 -1.324) 9.618 11.292 ( -0.810 3.412 -0.679) 3.572 11.478 ( -0.511 -0.792 0.898) 1.302 11.849 ( 1.770 -3.671 -0.839) 4.161 11.996 ( -1.402 -7.979 -1.282) 8.202 12.683 ( 1.829 0.293 0.776) 2.009 12.763 ( 0.384 0.097 -0.226) 0.456 13.169 ( 1.932 2.992 -0.346) 3.578 13.380 ( -0.535 4.807 1.001) 4.939 17.857 ( 2.530 -0.483 -0.097) 2.578 18.085 ( -3.165 -2.902 -0.158) 4.297 22.822 ( -0.341 0.213 -0.048) 0.405 23.378 ( -0.381 -4.824 0.616) 4.878 23.453 ( -2.167 6.867 -0.785) 7.244 24.065 ( -3.205 -8.989 -3.565) 10.187 25.454 ( 3.239 15.661 0.477) 16.000 26.706 ( 2.276 -11.091 2.971) 11.705 ======================= Grid point 354 (176/185) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.000 18.297 -0.000) 18.297 1.818 ( 0.000 -0.050 0.000) 0.050 2.069 ( -0.000 6.328 0.000) 6.328 2.190 ( -0.000 -0.822 -0.000) 0.822 2.370 ( 0.000 -5.668 -0.000) 5.668 2.575 ( 0.000 -4.123 0.000) 4.123 2.899 ( 0.000 4.174 0.000) 4.174 3.131 ( -0.000 1.093 0.000) 1.093 3.262 ( -0.000 3.096 0.000) 3.096 3.598 ( 0.000 5.218 -0.000) 5.218 3.666 ( 0.000 5.031 -0.000) 5.031 3.706 ( -0.000 -5.840 0.000) 5.840 3.835 ( -0.000 13.842 0.000) 13.842 3.905 ( 0.000 14.261 -0.000) 14.261 4.299 ( -0.000 7.747 -0.000) 7.747 4.309 ( 0.000 7.341 0.000) 7.341 4.525 ( -0.000 3.916 0.000) 3.916 4.539 ( 0.000 4.957 -0.000) 4.957 5.295 ( 0.000 -10.233 -0.000) 10.233 5.327 ( -0.000 -11.887 0.000) 11.887 5.491 ( -0.000 1.827 -0.000) 1.827 5.605 ( 0.000 -6.311 0.000) 6.311 5.775 ( 0.000 -3.933 0.000) 3.933 5.974 ( 0.000 -4.851 0.000) 4.851 6.165 ( 0.000 2.006 0.000) 2.006 6.437 ( -0.000 -4.073 0.000) 4.073 6.761 ( -0.000 -2.864 -0.000) 2.864 7.365 ( 0.000 -15.062 0.000) 15.062 7.838 ( 0.000 4.237 0.000) 4.237 7.867 ( 0.000 8.530 -0.000) 8.530 7.895 ( -0.000 10.708 0.000) 10.708 8.337 ( 0.000 -1.456 0.000) 1.456 8.635 ( -0.000 -7.001 0.000) 7.001 8.978 ( -0.000 -10.892 0.000) 10.892 9.691 ( 0.000 2.635 0.000) 2.635 9.985 ( -0.000 -6.031 0.000) 6.031 10.767 ( -0.000 20.485 0.000) 20.485 11.359 ( -0.000 3.155 0.000) 3.155 11.555 ( 0.000 4.343 0.000) 4.343 11.660 ( 0.000 -1.282 0.000) 1.282 11.726 ( 0.000 -1.809 0.000) 1.809 12.088 ( -0.000 -20.591 -0.000) 20.591 12.400 ( -0.000 3.176 0.000) 3.176 12.603 ( 0.000 -1.243 0.000) 1.243 13.017 ( -0.000 5.708 0.000) 5.708 13.340 ( 0.000 -1.997 0.000) 1.997 17.806 ( 0.000 5.484 0.000) 5.484 18.221 ( -0.000 -6.652 0.000) 6.652 23.088 ( 0.000 5.634 0.000) 5.634 23.720 ( -0.000 -9.380 0.000) 9.380 24.076 ( -0.000 6.630 0.000) 6.630 24.161 ( 0.000 12.372 0.000) 12.372 25.123 ( -0.000 2.299 0.000) 2.299 25.707 ( 0.000 -21.104 -0.000) 21.104 ======================= Grid point 356 (177/185) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 8.696 16.443 -3.410) 18.911 1.749 ( 0.157 4.861 -6.956) 8.488 2.153 ( 5.006 6.850 -2.545) 8.858 2.260 ( -0.117 -3.419 14.755) 15.146 2.347 ( 0.381 -2.790 2.129) 3.530 2.630 ( 3.322 -5.039 1.077) 6.131 2.898 ( -0.635 1.710 2.311) 2.944 3.110 ( -2.198 0.812 -1.238) 2.650 3.268 ( 0.593 3.265 0.537) 3.362 3.522 ( -10.179 2.723 -0.922) 10.577 3.577 ( -3.285 6.257 2.320) 7.438 3.739 ( 0.571 -0.944 -2.844) 3.051 3.841 ( 3.815 13.316 -5.426) 14.876 3.964 ( 5.206 9.895 0.089) 11.181 4.138 ( -9.595 9.441 -1.260) 13.519 4.357 ( -9.321 0.915 3.501) 9.999 4.414 ( 0.975 6.776 6.098) 9.168 4.715 ( 10.985 5.634 -3.278) 12.773 5.196 ( -7.017 -10.304 1.581) 12.566 5.404 ( 4.924 -8.300 -1.352) 9.745 5.448 ( -1.997 -1.057 -6.276) 6.670 5.603 ( 0.616 -3.076 -1.994) 3.717 5.814 ( 3.557 -5.647 1.478) 6.835 5.963 ( -1.929 -8.301 -0.412) 8.532 6.132 ( -1.316 5.110 -3.760) 6.479 6.509 ( 7.985 -5.299 -1.296) 9.670 6.783 ( -0.756 -0.636 6.972) 7.042 7.345 ( -1.614 -13.322 -0.364) 13.425 7.666 ( -10.679 9.345 -0.612) 14.203 7.913 ( 1.418 6.959 2.344) 7.478 8.013 ( 8.421 5.640 -1.699) 10.276 8.334 ( 0.093 0.536 -0.567) 0.786 8.732 ( 9.366 -8.550 2.406) 12.908 8.957 ( -1.730 -9.859 -1.401) 10.108 9.713 ( 1.294 2.711 2.622) 3.987 10.011 ( 2.638 -6.044 0.738) 6.636 10.707 ( -6.641 18.388 0.740) 19.565 11.327 ( -5.209 0.622 0.784) 5.304 11.532 ( -1.371 4.134 -2.544) 5.044 11.592 ( -5.587 -0.107 0.032) 5.588 11.738 ( 1.744 -2.170 -0.812) 2.900 12.093 ( -0.903 -17.439 -0.840) 17.482 12.412 ( 2.173 3.182 0.046) 3.853 12.632 ( 2.915 -1.653 0.138) 3.354 13.049 ( 2.741 6.003 1.759) 6.829 13.354 ( 1.177 -1.357 0.845) 1.985 17.806 ( 0.192 5.109 -0.293) 5.121 18.203 ( -1.948 -6.475 -0.284) 6.768 23.055 ( -3.813 5.609 0.507) 6.801 23.630 ( -9.870 -7.158 2.023) 12.359 23.906 ( -9.304 10.492 -1.963) 14.160 24.265 ( 4.996 -0.661 -7.605) 9.123 25.190 ( 7.769 6.445 1.364) 10.185 25.826 ( 9.937 -18.290 5.672) 21.574 ======================= Grid point 357 (178/185) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 8.216 12.264 -5.139) 15.631 1.830 ( 11.107 11.903 -0.073) 16.281 2.171 ( -1.175 7.717 -0.820) 7.849 2.320 ( 3.378 -3.696 2.529) 5.610 2.466 ( 2.694 0.398 9.117) 9.515 2.652 ( -1.747 -2.880 1.743) 3.793 2.907 ( -2.006 -2.234 1.533) 3.372 3.030 ( -4.306 -0.545 -2.102) 4.823 3.283 ( -0.496 2.192 0.914) 2.427 3.347 ( -8.000 3.429 -1.530) 8.838 3.531 ( -4.313 8.032 3.752) 9.859 3.718 ( 1.519 -0.624 -3.272) 3.661 3.887 ( 4.197 11.959 -4.968) 13.613 3.952 ( -5.283 1.545 1.673) 5.753 4.089 ( 4.009 9.891 -0.182) 10.674 4.246 ( -4.972 1.810 4.485) 6.937 4.466 ( -0.016 4.140 5.094) 6.564 4.853 ( 7.312 5.936 -3.858) 10.178 5.095 ( -5.742 -7.152 1.982) 9.383 5.339 ( -3.828 -0.673 -6.714) 7.758 5.486 ( 5.229 -7.119 -1.387) 8.941 5.588 ( -0.006 -1.362 -3.891) 4.122 5.851 ( -4.205 -13.615 -4.441) 14.926 5.924 ( 2.592 -5.187 2.351) 6.257 6.098 ( 1.025 8.931 -3.917) 9.806 6.636 ( 4.908 -9.291 -0.380) 10.515 6.825 ( -0.583 5.404 6.596) 8.547 7.328 ( 0.058 -9.090 1.544) 9.221 7.496 ( -7.429 10.258 -0.135) 12.666 7.936 ( -1.679 0.089 2.031) 2.637 8.146 ( 9.088 7.025 -2.801) 11.824 8.347 ( 1.896 4.190 0.229) 4.605 8.879 ( -2.601 -6.739 -0.800) 7.268 8.986 ( 12.524 -10.864 2.693) 16.796 9.772 ( 2.558 3.069 3.838) 5.540 10.085 ( 4.741 -6.078 1.359) 7.827 10.567 ( -9.730 14.413 1.655) 17.468 11.166 ( -12.029 -5.036 -1.174) 13.093 11.466 ( -2.472 3.596 -4.644) 6.373 11.534 ( -2.784 3.076 2.920) 5.073 11.766 ( 1.848 -2.263 -0.750) 3.016 12.020 ( -4.894 -10.549 -2.974) 12.003 12.486 ( 5.032 0.611 1.125) 5.193 12.688 ( 2.885 -2.656 -0.183) 3.926 13.131 ( 4.481 6.691 2.218) 8.353 13.391 ( 1.992 0.353 1.323) 2.417 17.811 ( 0.779 4.029 -0.431) 4.126 18.152 ( -3.405 -5.892 -0.472) 6.821 22.974 ( -5.243 5.422 0.541) 7.562 23.461 ( -9.538 -5.390 0.976) 10.999 23.752 ( -6.547 7.945 -2.234) 10.534 24.191 ( -4.994 -8.673 -8.585) 13.186 25.398 ( 12.871 11.923 1.926) 17.650 26.086 ( 12.729 -14.629 7.201) 20.686 ======================= Grid point 358 (179/185) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 10.271 14.509 1.032) 17.806 2.031 ( 10.453 10.812 -1.661) 15.130 2.137 ( -1.750 8.654 1.092) 8.896 2.421 ( 5.841 -1.399 0.933) 6.078 2.500 ( -2.665 0.443 0.824) 2.825 2.644 ( -1.428 -0.007 5.477) 5.660 2.778 ( -8.977 3.637 -3.973) 10.469 2.992 ( -1.722 -6.641 0.095) 6.861 3.201 ( -6.896 2.441 0.375) 7.325 3.263 ( -1.640 -0.592 -1.448) 2.266 3.476 ( -4.449 9.414 2.185) 10.639 3.747 ( 2.249 2.520 -2.591) 4.257 3.892 ( 0.865 -0.863 5.882) 6.008 3.980 ( 3.528 4.967 -3.456) 7.005 4.123 ( 2.738 1.569 0.070) 3.157 4.290 ( 3.245 3.025 6.152) 7.585 4.502 ( 0.921 4.439 3.507) 5.732 4.880 ( -0.671 2.663 -6.452) 7.012 5.051 ( -1.136 1.093 4.141) 4.431 5.226 ( -3.421 0.218 -5.889) 6.815 5.533 ( -0.962 -1.571 -4.645) 4.998 5.564 ( 2.556 -5.224 -2.529) 6.342 5.714 ( -5.612 -12.152 -1.447) 13.463 6.004 ( 3.833 -5.311 0.175) 6.552 6.103 ( 2.553 7.048 -3.707) 8.363 6.638 ( -5.260 -5.625 3.525) 8.469 6.847 ( 0.064 6.628 0.054) 6.629 7.386 ( 2.984 -0.730 1.904) 3.614 7.428 ( 0.030 3.059 2.843) 4.176 7.878 ( -5.105 -5.426 -0.467) 7.465 8.292 ( 8.991 10.082 -1.540) 13.596 8.405 ( 4.171 4.990 0.529) 6.526 8.788 ( -5.823 -2.057 -1.206) 6.292 9.234 ( 11.166 -11.783 3.058) 16.519 9.859 ( 4.223 3.586 3.366) 6.483 10.189 ( 5.069 -5.619 1.835) 7.787 10.408 ( -9.128 10.433 1.726) 13.970 10.929 ( -12.648 -6.703 -1.811) 14.428 11.396 ( -1.804 3.440 -3.480) 5.216 11.504 ( -2.769 1.608 1.514) 3.542 11.785 ( 0.748 -2.161 -0.439) 2.329 11.920 ( -3.184 -6.228 -2.612) 7.466 12.583 ( 4.545 -1.306 1.480) 4.955 12.719 ( 0.855 -3.451 -0.700) 3.623 13.225 ( 4.263 7.391 1.570) 8.675 13.436 ( 1.806 2.196 1.206) 3.088 17.830 ( 1.650 2.420 -0.325) 2.947 18.082 ( -3.873 -4.847 -0.469) 6.222 22.898 ( -3.410 4.659 0.170) 5.776 23.326 ( -6.212 -6.422 0.148) 8.936 23.644 ( -4.140 6.633 -1.275) 7.922 24.019 ( -6.831 -9.280 -6.306) 13.136 25.621 ( 10.166 14.137 1.424) 17.471 26.337 ( 9.543 -12.659 5.521) 16.787 ======================= Grid point 359 (180/185) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 6.793 13.863 3.475) 15.824 2.093 ( 2.488 6.144 -4.200) 7.847 2.171 ( 0.019 15.518 3.265) 15.858 2.442 ( -2.396 -1.034 -0.409) 2.642 2.518 ( 4.800 -0.341 -2.313) 5.339 2.612 ( -6.365 9.740 -0.040) 11.636 2.672 ( 0.826 -0.289 1.803) 2.004 2.921 ( -4.231 -5.324 -0.789) 6.846 3.127 ( -2.031 -3.216 0.472) 3.833 3.243 ( -0.016 -0.747 -0.330) 0.817 3.425 ( -1.960 8.815 0.441) 9.041 3.749 ( 0.214 5.599 -1.210) 5.732 3.951 ( 0.284 -2.143 2.436) 3.257 4.002 ( 1.563 -1.431 -0.255) 2.134 4.205 ( 4.573 2.159 -1.137) 5.183 4.380 ( 0.808 -7.883 5.827) 9.836 4.555 ( 2.349 5.932 1.575) 6.572 4.784 ( -3.017 8.051 -5.019) 9.955 5.086 ( 0.412 3.419 4.870) 5.965 5.140 ( -1.501 1.449 -5.099) 5.509 5.457 ( -2.261 -1.158 -3.431) 4.269 5.555 ( -1.076 -4.848 -0.675) 5.012 5.685 ( 0.707 -10.500 0.221) 10.526 6.051 ( 1.407 -5.455 -0.048) 5.634 6.123 ( 1.855 5.402 -2.125) 6.094 6.560 ( -4.332 0.969 2.300) 5.000 6.840 ( -0.069 4.300 -0.747) 4.365 7.395 ( -0.123 9.758 0.142) 9.760 7.543 ( 5.374 -9.430 3.692) 11.464 7.771 ( -4.923 -5.933 -1.940) 7.951 8.407 ( 3.421 11.317 0.262) 11.825 8.498 ( 6.177 3.180 -0.590) 6.973 8.668 ( -6.426 2.745 -0.277) 6.993 9.388 ( 4.089 -11.208 1.153) 11.986 9.961 ( 4.455 3.442 1.340) 5.787 10.208 ( -4.806 5.365 1.250) 7.310 10.357 ( 2.783 -2.422 0.759) 3.767 10.730 ( -7.289 -6.377 -1.191) 9.757 11.356 ( -0.627 3.212 -1.237) 3.499 11.469 ( -1.428 -0.329 0.147) 1.473 11.788 ( 0.141 -2.369 -0.328) 2.396 11.876 ( -0.730 -4.668 -0.671) 4.772 12.660 ( 2.964 -2.262 1.365) 3.971 12.708 ( -1.214 -3.491 -1.096) 3.856 13.290 ( 1.810 7.671 0.525) 7.899 13.466 ( 0.661 3.285 0.501) 3.388 17.859 ( 1.396 0.837 -0.088) 1.630 18.021 ( -2.246 -3.636 -0.221) 4.279 22.861 ( -0.933 3.768 -0.012) 3.881 23.250 ( -2.290 -7.270 0.001) 7.622 23.590 ( -1.371 5.978 -0.367) 6.144 23.894 ( -2.970 -8.091 -2.345) 8.932 25.754 ( 3.741 14.935 0.526) 15.406 26.482 ( 3.419 -11.815 2.030) 12.466 ======================= Grid point 364 (181/185) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 13.452 -0.000) 13.452 1.868 ( -0.000 5.218 0.000) 5.218 2.049 ( -0.000 -6.716 0.000) 6.716 2.108 ( 0.000 -7.907 -0.000) 7.907 2.360 ( -0.000 5.349 -0.000) 5.349 2.478 ( 0.000 -5.891 0.000) 5.891 2.987 ( 0.000 5.290 0.000) 5.290 3.091 ( -0.000 -4.746 0.000) 4.746 3.389 ( -0.000 8.863 0.000) 8.863 3.560 ( 0.000 -8.340 -0.000) 8.340 3.679 ( 0.000 3.028 -0.000) 3.028 3.712 ( -0.000 0.071 0.000) 0.071 4.047 ( -0.000 6.747 0.000) 6.747 4.085 ( 0.000 3.173 -0.000) 3.173 4.422 ( 0.000 5.935 -0.000) 5.935 4.465 ( 0.000 4.947 0.000) 4.947 4.626 ( -0.000 5.040 0.000) 5.040 4.663 ( 0.000 5.666 -0.000) 5.666 5.097 ( 0.000 -7.457 -0.000) 7.457 5.120 ( -0.000 -8.209 0.000) 8.209 5.558 ( -0.000 2.844 0.000) 2.844 5.560 ( 0.000 5.169 -0.000) 5.169 5.679 ( 0.000 -6.046 0.000) 6.046 5.732 ( -0.000 -13.636 -0.000) 13.636 6.280 ( -0.000 5.701 0.000) 5.701 6.365 ( 0.000 -3.636 0.000) 3.636 6.832 ( -0.000 9.063 0.000) 9.063 7.069 ( 0.000 -14.667 0.000) 14.667 7.915 ( 0.000 3.405 0.000) 3.405 7.951 ( 0.000 0.408 0.000) 0.408 8.105 ( -0.000 10.767 0.000) 10.767 8.284 ( -0.000 -6.456 0.000) 6.456 8.591 ( 0.000 4.556 0.000) 4.556 8.761 ( -0.000 -11.080 0.000) 11.080 9.762 ( 0.000 4.672 0.000) 4.672 9.867 ( -0.000 -6.016 0.000) 6.016 11.143 ( -0.000 17.984 0.000) 17.984 11.378 ( -0.000 -3.691 0.000) 3.691 11.631 ( 0.000 3.129 0.000) 3.129 11.633 ( -0.000 -0.730 -0.000) 0.730 11.689 ( 0.000 -2.104 0.000) 2.104 11.734 ( -0.000 -13.251 -0.000) 13.251 12.473 ( -0.000 4.116 0.000) 4.116 12.551 ( 0.000 -3.736 0.000) 3.736 13.150 ( -0.000 7.276 0.000) 7.276 13.274 ( 0.000 -5.099 0.000) 5.099 17.932 ( 0.000 7.390 0.000) 7.390 18.081 ( -0.000 -7.754 0.000) 7.754 23.245 ( 0.000 10.687 0.000) 10.687 23.485 ( -0.000 -13.505 0.000) 13.505 24.204 ( -0.000 5.822 0.000) 5.822 24.270 ( 0.000 -0.061 0.000) 0.061 25.215 ( -0.000 7.046 0.000) 7.046 25.394 ( 0.000 -11.961 0.000) 11.961 ======================= Grid point 366 (182/185) ======================= q-point: ( 0.11 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 4.093 10.252 -5.122) 12.170 1.913 ( 5.118 11.257 2.949) 12.713 2.097 ( 2.424 -9.520 2.960) 10.260 2.150 ( 2.449 -7.549 5.043) 9.403 2.401 ( 3.211 6.593 4.117) 8.410 2.525 ( 3.354 -5.885 2.155) 7.109 2.951 ( -4.031 4.399 0.387) 5.979 3.055 ( -4.064 -5.436 -0.313) 6.794 3.380 ( -1.452 7.116 0.505) 7.280 3.499 ( -6.232 -4.453 0.299) 7.665 3.672 ( -0.776 3.665 0.608) 3.795 3.718 ( 1.078 -1.343 -2.170) 2.770 4.055 ( 0.860 6.495 -0.529) 6.573 4.077 ( -1.624 2.913 -0.049) 3.336 4.331 ( -8.117 6.065 -1.532) 10.248 4.368 ( -8.542 0.165 0.528) 8.560 4.579 ( 0.084 11.277 0.964) 11.318 4.772 ( 5.874 -4.509 -1.512) 7.557 5.081 ( 1.289 2.186 0.216) 2.548 5.222 ( 7.555 -9.479 -2.616) 12.401 5.474 ( -3.659 4.394 -2.124) 6.100 5.604 ( 1.123 0.519 -2.476) 2.768 5.647 ( -0.493 -7.425 -1.308) 7.556 5.756 ( 0.220 -9.504 1.246) 9.588 6.283 ( 1.472 7.443 -2.692) 8.050 6.406 ( 4.549 -5.558 -1.603) 7.359 6.867 ( 1.503 8.495 5.654) 10.315 7.082 ( 0.461 -13.160 2.960) 13.496 7.825 ( -7.356 6.968 -0.521) 10.146 7.928 ( -3.345 -3.442 0.247) 4.806 8.186 ( 7.790 10.282 -0.494) 12.909 8.339 ( 5.064 -3.493 0.131) 6.153 8.633 ( 4.820 1.071 0.822) 5.005 8.761 ( 0.243 -9.753 -0.349) 9.762 9.786 ( 1.824 4.781 1.940) 5.473 9.892 ( 2.286 -6.086 1.349) 6.640 11.037 ( -9.979 15.422 -0.949) 18.393 11.269 ( -10.965 -7.639 -1.034) 13.403 11.615 ( -1.719 3.172 -3.166) 4.800 11.621 ( -0.879 4.271 1.110) 4.500 11.690 ( 2.056 -2.177 -0.748) 3.087 11.798 ( 3.096 -12.058 1.506) 12.540 12.487 ( 1.650 4.352 0.135) 4.656 12.571 ( 2.025 -4.143 0.224) 4.617 13.183 ( 2.948 7.102 1.495) 7.833 13.300 ( 2.351 -4.570 1.119) 5.260 17.925 ( -0.645 7.006 -0.311) 7.043 18.067 ( -1.396 -7.455 -0.337) 7.592 23.207 ( -4.219 10.138 0.219) 10.983 23.430 ( -5.967 -12.198 0.162) 13.580 24.082 ( -9.679 7.726 -2.031) 12.550 24.205 ( -6.219 -5.038 -3.875) 8.893 25.347 ( 12.629 9.173 2.092) 15.748 25.543 ( 13.302 -11.693 3.538) 18.061 ======================= Grid point 367 (183/185) ======================= q-point: ( 0.22 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 7.537 11.635 -0.501) 13.872 2.069 ( 9.586 11.411 2.674) 15.141 2.158 ( 1.900 -8.231 3.008) 8.967 2.252 ( 5.514 -4.589 3.057) 7.798 2.508 ( 3.250 4.056 5.343) 7.454 2.587 ( 0.894 -3.556 2.040) 4.196 2.875 ( -4.664 0.581 2.093) 5.145 2.950 ( -6.853 -5.937 -0.460) 9.079 3.333 ( -4.746 2.901 0.972) 5.647 3.373 ( -8.031 -0.802 0.619) 8.095 3.670 ( -0.237 5.658 1.655) 5.900 3.732 ( 2.936 -0.152 -2.120) 3.624 3.978 ( -8.057 3.717 -1.148) 8.947 4.057 ( -2.609 -0.260 -0.701) 2.714 4.187 ( -3.330 5.962 -1.776) 7.056 4.289 ( -1.324 -1.586 0.990) 2.291 4.614 ( 3.073 11.798 -0.018) 12.192 4.831 ( 2.590 -8.717 -1.762) 9.263 5.117 ( 1.549 7.982 0.744) 8.164 5.281 ( 0.642 -7.688 -3.683) 8.549 5.439 ( 3.222 5.073 -3.702) 7.058 5.588 ( -0.260 -4.818 -3.365) 5.883 5.621 ( -1.937 -1.747 -1.895) 3.225 5.765 ( 0.872 -10.135 1.355) 10.262 6.286 ( 1.434 9.724 -3.848) 10.556 6.464 ( 3.081 -8.851 -2.710) 9.755 6.958 ( 2.625 8.390 7.543) 11.584 7.139 ( 2.381 -10.022 5.703) 11.774 7.688 ( -6.966 9.290 -0.944) 11.650 7.847 ( -5.322 -7.107 -0.846) 8.919 8.337 ( 8.889 9.841 0.199) 13.263 8.423 ( 3.726 1.784 0.917) 4.231 8.760 ( 3.138 -4.315 0.197) 5.339 8.791 ( 8.688 -7.839 0.399) 11.708 9.852 ( 3.438 5.130 3.038) 6.883 9.964 ( 4.189 -6.305 2.254) 7.898 10.826 ( -12.571 12.294 -0.483) 17.590 11.032 ( -13.822 -8.876 -1.478) 16.493 11.543 ( -2.463 4.066 -5.082) 6.959 11.587 ( -2.934 0.889 -1.048) 3.239 11.733 ( 1.819 0.650 1.365) 2.365 11.830 ( -0.489 -8.355 1.398) 8.485 12.531 ( 2.955 3.700 0.409) 4.752 12.613 ( 2.275 -4.472 0.084) 5.018 13.266 ( 4.642 6.641 2.032) 8.354 13.366 ( 3.726 -3.321 1.565) 5.231 17.908 ( -0.797 5.885 -0.475) 5.957 18.030 ( -2.261 -6.546 -0.534) 6.946 23.114 ( -5.995 8.934 0.170) 10.760 23.303 ( -7.767 -9.960 -0.112) 12.631 23.898 ( -8.546 7.079 -2.409) 11.355 24.034 ( -8.541 -7.390 -4.402) 12.122 25.622 ( 15.151 11.220 2.528) 19.021 25.837 ( 15.313 -11.540 4.300) 19.650 ======================= Grid point 368 (184/185) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 8.217 8.998 1.205) 12.244 2.199 ( 1.335 1.270 2.062) 2.765 2.272 ( 9.233 7.386 3.197) 12.248 2.377 ( 6.260 -2.449 1.032) 6.801 2.528 ( -3.138 2.669 -0.617) 4.166 2.596 ( -0.749 -3.106 1.479) 3.520 2.814 ( -5.205 0.023 2.289) 5.686 2.868 ( -1.858 -5.293 2.885) 6.308 3.234 ( -8.056 1.115 1.491) 8.268 3.253 ( -4.855 -0.629 1.749) 5.198 3.669 ( -2.788 9.323 2.154) 9.967 3.785 ( 4.451 1.014 -2.736) 5.322 3.847 ( -3.970 -0.971 -1.127) 4.240 3.963 ( -4.394 -6.779 -1.877) 8.294 4.197 ( 3.445 6.056 -1.679) 7.167 4.291 ( -0.514 -3.031 1.864) 3.595 4.679 ( 3.816 11.593 0.680) 12.224 4.852 ( 1.397 -5.265 -0.848) 5.513 5.138 ( -0.054 5.442 1.412) 5.622 5.230 ( -1.793 -1.972 -3.929) 4.747 5.468 ( 1.403 -2.136 -5.535) 6.097 5.522 ( -3.871 -6.020 -3.059) 7.784 5.597 ( 1.464 7.823 -0.001) 7.959 5.817 ( 3.644 -12.405 0.261) 12.932 6.277 ( 0.595 9.816 -2.881) 10.247 6.467 ( -0.477 -9.814 -1.635) 9.961 7.041 ( 0.673 10.951 5.171) 12.130 7.240 ( 3.596 -9.436 5.881) 11.686 7.586 ( -3.512 8.440 -0.760) 9.173 7.742 ( -5.007 -7.786 -1.853) 9.441 8.476 ( 5.538 5.617 1.010) 7.953 8.489 ( 2.982 3.327 1.518) 4.718 8.793 ( 2.632 4.926 -1.084) 5.689 8.989 ( 10.242 -13.022 1.190) 16.610 9.948 ( 4.811 5.587 2.923) 7.931 10.067 ( 5.334 -6.564 2.416) 8.796 10.608 ( -11.544 9.965 -0.244) 15.252 10.785 ( -12.551 -8.359 -1.430) 15.148 11.464 ( -2.273 3.491 -4.149) 5.880 11.515 ( -3.359 -1.155 -2.385) 4.278 11.763 ( 0.148 0.787 1.857) 2.022 11.818 ( -1.358 -4.417 0.872) 4.703 12.588 ( 2.774 1.845 0.569) 3.379 12.645 ( 1.251 -3.757 -0.178) 3.964 13.361 ( 4.145 6.020 1.540) 7.469 13.441 ( 3.247 -2.009 1.234) 4.013 17.894 ( -0.338 4.177 -0.398) 4.210 17.985 ( -2.262 -5.077 -0.491) 5.580 23.018 ( -4.564 7.602 -0.057) 8.867 23.177 ( -5.869 -8.512 -0.296) 10.343 23.758 ( -5.535 5.362 -1.650) 7.881 23.867 ( -6.650 -6.470 -3.253) 9.832 25.876 ( 11.073 12.343 1.934) 16.694 26.104 ( 11.059 -11.667 3.299) 16.411 ======================= Grid point 369 (185/185) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.683 5.217 -1.365) 6.023 2.235 ( 2.350 4.322 2.095) 5.347 2.397 ( 1.157 4.065 3.519) 5.500 2.456 ( -3.166 1.602 -0.770) 3.631 2.473 ( 4.369 0.945 -0.991) 4.579 2.596 ( 1.462 -5.771 -1.041) 6.043 2.761 ( -2.638 6.069 1.895) 6.884 2.874 ( -0.331 -2.893 1.577) 3.312 3.125 ( -4.410 3.878 0.948) 5.948 3.212 ( -1.171 -3.221 0.920) 3.548 3.615 ( -2.481 10.506 0.001) 10.795 3.804 ( -1.205 -4.086 -0.234) 4.266 3.830 ( 1.358 -2.517 -0.057) 2.861 3.919 ( 0.450 -6.416 -1.755) 6.667 4.244 ( 2.884 2.143 -1.722) 3.984 4.287 ( -1.628 -2.556 2.036) 3.651 4.742 ( 2.075 10.905 0.779) 11.128 4.873 ( 0.930 -0.998 0.148) 1.372 5.142 ( -0.608 2.918 2.404) 3.830 5.174 ( -0.982 1.237 -3.952) 4.256 5.424 ( -1.222 -4.196 -2.108) 4.852 5.450 ( -1.762 -5.408 -1.431) 5.865 5.640 ( 1.944 9.209 -0.122) 9.413 5.871 ( 1.902 -12.155 -0.137) 12.304 6.268 ( 0.169 8.717 -1.039) 8.780 6.442 ( -0.985 -8.952 -0.272) 9.010 7.062 ( -0.527 14.248 1.589) 14.346 7.327 ( 1.863 -12.756 2.786) 13.189 7.550 ( -0.632 6.507 -0.192) 6.540 7.662 ( -2.236 -5.457 -1.304) 6.040 8.534 ( 1.678 2.038 0.289) 2.655 8.548 ( 1.197 1.071 1.165) 1.984 8.829 ( 1.659 14.172 -0.648) 14.284 9.128 ( 4.112 -15.375 0.512) 15.924 10.050 ( 3.880 5.634 1.411) 6.985 10.167 ( 3.288 -6.043 1.349) 7.010 10.444 ( -5.664 7.968 -0.268) 9.780 10.596 ( -6.712 -7.517 -0.907) 10.118 11.413 ( -0.876 2.620 -1.587) 3.185 11.454 ( -1.580 -1.468 -1.156) 2.447 11.770 ( -0.273 0.596 0.769) 1.010 11.806 ( -0.477 -2.848 0.287) 2.901 12.630 ( 1.491 -0.183 0.479) 1.577 12.653 ( -0.041 -2.231 -0.332) 2.256 13.422 ( 1.655 5.505 0.544) 5.774 13.488 ( 1.241 -1.155 0.457) 1.756 17.891 ( 0.125 2.484 -0.140) 2.491 17.950 ( -1.125 -3.540 -0.208) 3.720 22.962 ( -1.573 6.563 -0.080) 6.750 23.103 ( -2.160 -7.766 -0.141) 8.062 23.683 ( -1.926 4.099 -0.556) 4.563 23.767 ( -2.516 -5.125 -1.202) 5.834 26.021 ( 3.995 12.860 0.723) 13.485 26.256 ( 3.951 -11.748 1.225) 12.455 =================== 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 3/34992 10.0 310.174 377.466 309.859 0.000 41.427 0.000 3/34992 20.0 47.889 64.587 49.080 0.000 5.181 0.000 3/34992 30.0 18.031 26.070 19.802 0.000 1.632 0.000 3/34992 40.0 10.050 15.073 11.303 0.000 0.858 0.000 3/34992 50.0 6.793 10.391 7.666 0.000 0.557 0.000 3/34992 60.0 5.117 7.913 5.742 0.000 0.405 0.000 3/34992 70.0 4.121 6.409 4.579 0.000 0.315 0.000 3/34992 80.0 3.469 5.407 3.808 0.000 0.257 0.000 3/34992 90.0 3.010 4.693 3.263 0.000 0.216 0.000 3/34992 100.0 2.670 4.158 2.858 0.000 0.186 0.000 3/34992 110.0 2.407 3.741 2.546 0.000 0.162 0.000 3/34992 120.0 2.197 3.407 2.298 0.000 0.144 0.000 3/34992 130.0 2.026 3.133 2.097 0.000 0.129 0.000 3/34992 140.0 1.882 2.903 1.930 0.000 0.116 0.000 3/34992 150.0 1.760 2.708 1.789 0.000 0.105 0.000 3/34992 160.0 1.656 2.539 1.669 0.000 0.096 0.000 3/34992 170.0 1.565 2.393 1.565 0.000 0.087 0.000 3/34992 180.0 1.485 2.264 1.475 0.000 0.080 0.000 3/34992 190.0 1.415 2.149 1.395 0.000 0.073 0.000 3/34992 200.0 1.352 2.047 1.324 0.000 0.066 0.000 3/34992 210.0 1.295 1.955 1.261 0.000 0.060 0.000 3/34992 220.0 1.244 1.872 1.204 0.000 0.055 0.000 3/34992 230.0 1.198 1.796 1.153 0.000 0.050 0.000 3/34992 240.0 1.156 1.727 1.106 0.000 0.045 0.000 3/34992 250.0 1.117 1.663 1.063 0.000 0.041 0.000 3/34992 260.0 1.081 1.604 1.024 0.000 0.037 0.000 3/34992 270.0 1.048 1.550 0.988 0.000 0.034 0.000 3/34992 280.0 1.017 1.499 0.954 0.000 0.030 0.000 3/34992 290.0 0.988 1.452 0.923 0.000 0.027 0.000 3/34992 300.0 0.961 1.408 0.894 0.000 0.024 0.000 3/34992 310.0 0.936 1.366 0.867 0.000 0.022 0.000 3/34992 320.0 0.912 1.327 0.842 0.000 0.019 0.000 3/34992 330.0 0.889 1.291 0.818 0.000 0.017 0.000 3/34992 340.0 0.868 1.256 0.796 0.000 0.015 0.000 3/34992 350.0 0.847 1.223 0.775 0.000 0.013 0.000 3/34992 360.0 0.828 1.192 0.755 0.000 0.011 0.000 3/34992 370.0 0.809 1.163 0.736 0.000 0.010 0.000 3/34992 380.0 0.792 1.135 0.718 0.000 0.008 0.000 3/34992 390.0 0.775 1.108 0.701 0.000 0.007 0.000 3/34992 400.0 0.759 1.083 0.685 0.000 0.006 0.000 3/34992 410.0 0.743 1.059 0.669 0.000 0.004 0.000 3/34992 420.0 0.729 1.036 0.654 0.000 0.003 0.000 3/34992 430.0 0.714 1.013 0.640 0.000 0.002 0.000 3/34992 440.0 0.701 0.992 0.627 0.000 0.001 0.000 3/34992 450.0 0.688 0.972 0.614 0.000 0.001 0.000 3/34992 460.0 0.675 0.952 0.601 0.000 -0.000 0.000 3/34992 470.0 0.663 0.934 0.589 0.000 -0.001 0.000 3/34992 480.0 0.651 0.916 0.578 0.000 -0.002 0.000 3/34992 490.0 0.639 0.898 0.567 0.000 -0.002 0.000 3/34992 500.0 0.628 0.881 0.556 0.000 -0.003 0.000 3/34992 510.0 0.618 0.865 0.546 0.000 -0.003 0.000 3/34992 520.0 0.607 0.850 0.536 0.000 -0.004 0.000 3/34992 530.0 0.597 0.835 0.527 0.000 -0.004 0.000 3/34992 540.0 0.588 0.820 0.518 0.000 -0.004 0.000 3/34992 550.0 0.578 0.806 0.509 0.000 -0.005 0.000 3/34992 560.0 0.569 0.793 0.500 0.000 -0.005 0.000 3/34992 570.0 0.561 0.780 0.492 0.000 -0.006 0.000 3/34992 580.0 0.552 0.767 0.484 0.000 -0.006 0.000 3/34992 590.0 0.544 0.755 0.476 0.000 -0.006 0.000 3/34992 600.0 0.536 0.743 0.469 0.000 -0.006 0.000 3/34992 610.0 0.528 0.731 0.461 0.000 -0.007 0.000 3/34992 620.0 0.520 0.720 0.454 0.000 -0.007 0.000 3/34992 630.0 0.513 0.709 0.448 0.000 -0.007 0.000 3/34992 640.0 0.506 0.699 0.441 0.000 -0.007 0.000 3/34992 650.0 0.499 0.689 0.434 0.000 -0.007 0.000 3/34992 660.0 0.492 0.679 0.428 0.000 -0.007 0.000 3/34992 670.0 0.485 0.669 0.422 0.000 -0.007 0.000 3/34992 680.0 0.479 0.660 0.416 0.000 -0.008 0.000 3/34992 690.0 0.472 0.651 0.410 0.000 -0.008 0.000 3/34992 700.0 0.466 0.642 0.405 0.000 -0.008 0.000 3/34992 710.0 0.460 0.633 0.399 0.000 -0.008 0.000 3/34992 720.0 0.454 0.625 0.394 0.000 -0.008 0.000 3/34992 730.0 0.449 0.616 0.389 0.000 -0.008 0.000 3/34992 740.0 0.443 0.608 0.384 0.000 -0.008 0.000 3/34992 750.0 0.438 0.601 0.379 0.000 -0.008 0.000 3/34992 760.0 0.432 0.593 0.374 0.000 -0.008 0.000 3/34992 770.0 0.427 0.586 0.369 0.000 -0.008 0.000 3/34992 780.0 0.422 0.578 0.365 0.000 -0.008 0.000 3/34992 790.0 0.417 0.571 0.360 0.000 -0.008 0.000 3/34992 800.0 0.412 0.565 0.356 0.000 -0.008 0.000 3/34992 810.0 0.407 0.558 0.352 0.000 -0.008 0.000 3/34992 820.0 0.403 0.551 0.348 0.000 -0.008 0.000 3/34992 830.0 0.398 0.545 0.344 0.000 -0.008 0.000 3/34992 840.0 0.394 0.539 0.340 0.000 -0.008 0.000 3/34992 850.0 0.390 0.532 0.336 0.000 -0.008 0.000 3/34992 860.0 0.385 0.526 0.332 0.000 -0.008 0.000 3/34992 870.0 0.381 0.521 0.328 0.000 -0.008 0.000 3/34992 880.0 0.377 0.515 0.325 0.000 -0.008 0.000 3/34992 890.0 0.373 0.509 0.321 0.000 -0.008 0.000 3/34992 900.0 0.369 0.504 0.318 0.000 -0.008 0.000 3/34992 910.0 0.365 0.498 0.314 0.000 -0.008 0.000 3/34992 920.0 0.362 0.493 0.311 0.000 -0.008 0.000 3/34992 930.0 0.358 0.488 0.308 0.000 -0.008 0.000 3/34992 940.0 0.354 0.483 0.305 0.000 -0.008 0.000 3/34992 950.0 0.351 0.478 0.302 0.000 -0.008 0.000 3/34992 960.0 0.347 0.473 0.299 0.000 -0.008 0.000 3/34992 970.0 0.344 0.468 0.296 0.000 -0.008 0.000 3/34992 980.0 0.341 0.464 0.293 0.000 -0.008 0.000 3/34992 990.0 0.337 0.459 0.290 0.000 -0.008 0.000 3/34992 1000.0 0.334 0.455 0.287 0.000 -0.008 0.000 3/34992 Thermal conductivity related properties were written into "kappa-m998.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:35:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|