----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:52:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207501850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.587259359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.223371709999999 Atomic positions (fractional): *1 O 0.33483492954129 0.46204444461297 0.22170554685189 15.999 2 O 0.16516507045871 0.53795555538703 0.72170554685189 15.999 3 O 0.66516507045871 0.96204444461297 0.77829445314811 15.999 4 O 0.83483492954129 0.03795555538703 0.27829445314811 15.999 5 O 0.66516507045871 0.53795555538703 0.77829445314811 15.999 6 O 0.83483492954129 0.46204444461297 0.27829445314811 15.999 7 O 0.33483492954129 0.03795555538703 0.22170554685189 15.999 8 O 0.16516507045871 0.96204444461297 0.72170554685189 15.999 *9 O 0.45217126261280 0.75000000000000 0.78972739298624 15.999 10 O 0.04782873738720 0.25000000000000 0.28972739298624 15.999 11 O 0.54782873738720 0.25000000000000 0.21027260701376 15.999 12 O 0.95217126261280 0.75000000000000 0.71027260701376 15.999 *13 O 0.09706840224487 0.75000000000000 0.23130118969159 15.999 14 O 0.40293159775513 0.25000000000000 0.73130118969159 15.999 15 O 0.90293159775513 0.25000000000000 0.76869881030841 15.999 16 O 0.59706840224487 0.75000000000000 0.26869881030841 15.999 *17 Ge 0.59817948904583 0.75000000000000 0.93356031122160 72.640 18 Ge 0.90182051095417 0.25000000000000 0.43356031122160 72.640 19 Ge 0.40182051095417 0.25000000000000 0.06643968877840 72.640 20 Ge 0.09817948904583 0.75000000000000 0.56643968877840 72.640 *21 Cd 0.77997192539562 0.75000000000000 0.48908834288822 112.411 22 Cd 0.72002807460438 0.25000000000000 0.98908834288822 112.411 23 Cd 0.22002807460438 0.25000000000000 0.51091165711178 112.411 24 Cd 0.27997192539562 0.75000000000000 0.01091165711178 112.411 *25 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 26 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 27 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 28 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.207501850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.587259359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.223371709999999 Atomic positions (fractional): *1 O 0.33483492954129 0.46204444461297 0.22170554685189 15.999 > 1 2 O 0.16516507045871 0.53795555538703 0.72170554685189 15.999 > 2 3 O 0.66516507045871 0.96204444461297 0.77829445314811 15.999 > 3 4 O 0.83483492954129 0.03795555538703 0.27829445314811 15.999 > 4 5 O 0.66516507045871 0.53795555538703 0.77829445314811 15.999 > 5 6 O 0.83483492954129 0.46204444461297 0.27829445314811 15.999 > 6 7 O 0.33483492954129 0.03795555538703 0.22170554685189 15.999 > 7 8 O 0.16516507045871 0.96204444461297 0.72170554685189 15.999 > 8 *9 O 0.45217126261280 0.75000000000000 0.78972739298624 15.999 > 9 10 O 0.04782873738720 0.25000000000000 0.28972739298624 15.999 > 10 11 O 0.54782873738720 0.25000000000000 0.21027260701376 15.999 > 11 12 O 0.95217126261280 0.75000000000000 0.71027260701376 15.999 > 12 *13 O 0.09706840224487 0.75000000000000 0.23130118969159 15.999 > 13 14 O 0.40293159775513 0.25000000000000 0.73130118969159 15.999 > 14 15 O 0.90293159775513 0.25000000000000 0.76869881030841 15.999 > 15 16 O 0.59706840224487 0.75000000000000 0.26869881030841 15.999 > 16 *17 Ge 0.59817948904583 0.75000000000000 0.93356031122160 72.640 > 17 18 Ge 0.90182051095417 0.25000000000000 0.43356031122160 72.640 > 18 19 Ge 0.40182051095417 0.25000000000000 0.06643968877840 72.640 > 19 20 Ge 0.09817948904583 0.75000000000000 0.56643968877840 72.640 > 20 *21 Cd 0.77997192539562 0.75000000000000 0.48908834288822 112.411 > 21 22 Cd 0.72002807460438 0.25000000000000 0.98908834288822 112.411 > 22 23 Cd 0.22002807460438 0.25000000000000 0.51091165711178 112.411 > 23 24 Cd 0.27997192539562 0.75000000000000 0.01091165711178 112.411 > 24 *25 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 25 26 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 26 27 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 27 28 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.207501850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.174518719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.446743419999997 Atomic positions (fractional): *1 O 0.33483492954129 0.23102222230648 0.11085277342594 15.999 > 1 2 O 0.33483492954129 0.73102222230648 0.11085277342594 15.999 > 1 3 O 0.33483492954129 0.23102222230648 0.61085277342594 15.999 > 1 4 O 0.33483492954129 0.73102222230648 0.61085277342594 15.999 > 1 5 O 0.16516507045871 0.26897777769352 0.36085277342594 15.999 > 2 6 O 0.16516507045871 0.76897777769352 0.36085277342594 15.999 > 2 7 O 0.16516507045871 0.26897777769352 0.86085277342594 15.999 > 2 8 O 0.16516507045871 0.76897777769352 0.86085277342594 15.999 > 2 9 O 0.66516507045871 0.48102222230648 0.38914722657406 15.999 > 3 10 O 0.66516507045871 0.98102222230648 0.38914722657406 15.999 > 3 11 O 0.66516507045871 0.48102222230648 0.88914722657406 15.999 > 3 12 O 0.66516507045871 0.98102222230648 0.88914722657406 15.999 > 3 13 O 0.83483492954129 0.01897777769352 0.13914722657406 15.999 > 4 14 O 0.83483492954129 0.51897777769352 0.13914722657406 15.999 > 4 15 O 0.83483492954129 0.01897777769352 0.63914722657406 15.999 > 4 16 O 0.83483492954129 0.51897777769352 0.63914722657406 15.999 > 4 17 O 0.66516507045871 0.26897777769352 0.38914722657406 15.999 > 5 18 O 0.66516507045871 0.76897777769352 0.38914722657406 15.999 > 5 19 O 0.66516507045871 0.26897777769352 0.88914722657406 15.999 > 5 20 O 0.66516507045871 0.76897777769352 0.88914722657406 15.999 > 5 21 O 0.83483492954129 0.23102222230648 0.13914722657406 15.999 > 6 22 O 0.83483492954129 0.73102222230648 0.13914722657406 15.999 > 6 23 O 0.83483492954129 0.23102222230648 0.63914722657406 15.999 > 6 24 O 0.83483492954129 0.73102222230648 0.63914722657406 15.999 > 6 25 O 0.33483492954129 0.01897777769352 0.11085277342594 15.999 > 7 26 O 0.33483492954129 0.51897777769352 0.11085277342594 15.999 > 7 27 O 0.33483492954129 0.01897777769352 0.61085277342594 15.999 > 7 28 O 0.33483492954129 0.51897777769352 0.61085277342594 15.999 > 7 29 O 0.16516507045871 0.48102222230648 0.36085277342594 15.999 > 8 30 O 0.16516507045871 0.98102222230648 0.36085277342594 15.999 > 8 31 O 0.16516507045871 0.48102222230648 0.86085277342594 15.999 > 8 32 O 0.16516507045871 0.98102222230648 0.86085277342594 15.999 > 8 *33 O 0.45217126261280 0.37500000000000 0.39486369649312 15.999 > 9 34 O 0.45217126261280 0.87500000000000 0.39486369649312 15.999 > 9 35 O 0.45217126261280 0.37500000000000 0.89486369649312 15.999 > 9 36 O 0.45217126261280 0.87500000000000 0.89486369649312 15.999 > 9 37 O 0.04782873738720 0.12500000000000 0.14486369649312 15.999 > 10 38 O 0.04782873738720 0.62500000000000 0.14486369649312 15.999 > 10 39 O 0.04782873738720 0.12500000000000 0.64486369649312 15.999 > 10 40 O 0.04782873738720 0.62500000000000 0.64486369649312 15.999 > 10 41 O 0.54782873738720 0.12500000000000 0.10513630350688 15.999 > 11 42 O 0.54782873738720 0.62500000000000 0.10513630350688 15.999 > 11 43 O 0.54782873738720 0.12500000000000 0.60513630350688 15.999 > 11 44 O 0.54782873738720 0.62500000000000 0.60513630350688 15.999 > 11 45 O 0.95217126261280 0.37500000000000 0.35513630350688 15.999 > 12 46 O 0.95217126261280 0.87500000000000 0.35513630350688 15.999 > 12 47 O 0.95217126261280 0.37500000000000 0.85513630350688 15.999 > 12 48 O 0.95217126261280 0.87500000000000 0.85513630350688 15.999 > 12 *49 O 0.09706840224487 0.37500000000000 0.11565059484579 15.999 > 13 50 O 0.09706840224487 0.87500000000000 0.11565059484579 15.999 > 13 51 O 0.09706840224487 0.37500000000000 0.61565059484579 15.999 > 13 52 O 0.09706840224487 0.87500000000000 0.61565059484579 15.999 > 13 53 O 0.40293159775513 0.12500000000000 0.36565059484579 15.999 > 14 54 O 0.40293159775513 0.62500000000000 0.36565059484579 15.999 > 14 55 O 0.40293159775513 0.12500000000000 0.86565059484579 15.999 > 14 56 O 0.40293159775513 0.62500000000000 0.86565059484579 15.999 > 14 57 O 0.90293159775513 0.12500000000000 0.38434940515421 15.999 > 15 58 O 0.90293159775513 0.62500000000000 0.38434940515421 15.999 > 15 59 O 0.90293159775513 0.12500000000000 0.88434940515421 15.999 > 15 60 O 0.90293159775513 0.62500000000000 0.88434940515421 15.999 > 15 61 O 0.59706840224487 0.37500000000000 0.13434940515420 15.999 > 16 62 O 0.59706840224487 0.87500000000000 0.13434940515420 15.999 > 16 63 O 0.59706840224487 0.37500000000000 0.63434940515421 15.999 > 16 64 O 0.59706840224487 0.87500000000000 0.63434940515421 15.999 > 16 *65 Ge 0.59817948904583 0.37500000000000 0.46678015561080 72.640 > 17 66 Ge 0.59817948904583 0.87500000000000 0.46678015561080 72.640 > 17 67 Ge 0.59817948904583 0.37500000000000 0.96678015561080 72.640 > 17 68 Ge 0.59817948904583 0.87500000000000 0.96678015561080 72.640 > 17 69 Ge 0.90182051095417 0.12500000000000 0.21678015561080 72.640 > 18 70 Ge 0.90182051095417 0.62500000000000 0.21678015561080 72.640 > 18 71 Ge 0.90182051095417 0.12500000000000 0.71678015561080 72.640 > 18 72 Ge 0.90182051095417 0.62500000000000 0.71678015561080 72.640 > 18 73 Ge 0.40182051095417 0.12500000000000 0.03321984438920 72.640 > 19 74 Ge 0.40182051095417 0.62500000000000 0.03321984438920 72.640 > 19 75 Ge 0.40182051095417 0.12500000000000 0.53321984438920 72.640 > 19 76 Ge 0.40182051095417 0.62500000000000 0.53321984438920 72.640 > 19 77 Ge 0.09817948904583 0.37500000000000 0.28321984438920 72.640 > 20 78 Ge 0.09817948904583 0.87500000000000 0.28321984438920 72.640 > 20 79 Ge 0.09817948904583 0.37500000000000 0.78321984438920 72.640 > 20 80 Ge 0.09817948904583 0.87500000000000 0.78321984438920 72.640 > 20 *81 Cd 0.77997192539562 0.37500000000000 0.24454417144411 112.411 > 21 82 Cd 0.77997192539562 0.87500000000000 0.24454417144411 112.411 > 21 83 Cd 0.77997192539562 0.37500000000000 0.74454417144411 112.411 > 21 84 Cd 0.77997192539562 0.87500000000000 0.74454417144411 112.411 > 21 85 Cd 0.72002807460438 0.12500000000000 0.49454417144411 112.411 > 22 86 Cd 0.72002807460438 0.62500000000000 0.49454417144411 112.411 > 22 87 Cd 0.72002807460438 0.12500000000000 0.99454417144411 112.411 > 22 88 Cd 0.72002807460438 0.62500000000000 0.99454417144411 112.411 > 22 89 Cd 0.22002807460438 0.12500000000000 0.25545582855589 112.411 > 23 90 Cd 0.22002807460438 0.62500000000000 0.25545582855589 112.411 > 23 91 Cd 0.22002807460438 0.12500000000000 0.75545582855589 112.411 > 23 92 Cd 0.22002807460438 0.62500000000000 0.75545582855589 112.411 > 23 93 Cd 0.27997192539562 0.37500000000000 0.00545582855589 112.411 > 24 94 Cd 0.27997192539562 0.87500000000000 0.00545582855589 112.411 > 24 95 Cd 0.27997192539562 0.37500000000000 0.50545582855589 112.411 > 24 96 Cd 0.27997192539562 0.87500000000000 0.50545582855589 112.411 > 24 *97 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 25 98 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 25 99 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 25 100 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 25 101 Cd 0.00000000000000 0.25000000000000 0.00000000000000 112.411 > 26 102 Cd 0.00000000000000 0.75000000000000 0.00000000000000 112.411 > 26 103 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 26 104 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 26 105 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 27 106 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 27 107 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 27 108 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 27 109 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 28 110 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 28 111 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 28 112 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2280327 0.0000000 0.0000000 0.0000000 4.4639411 0.0000000 0.0000000 0.0000000 4.5328764 -------------------------- Born effective charges -------------------------- 1 O -1.7503389 0.2374010 0.0893947 0.3153164 -2.2737958 -0.0588992 0.0200112 0.0541270 -1.8153939 2 O -1.7503389 0.2374010 -0.0893947 0.3153164 -2.2737958 0.0588992 -0.0200112 -0.0541270 -1.8153939 3 O -1.7503389 -0.2374010 0.0893947 -0.3153164 -2.2737958 0.0588992 0.0200112 -0.0541270 -1.8153939 4 O -1.7503389 -0.2374010 -0.0893947 -0.3153164 -2.2737958 -0.0588992 -0.0200112 0.0541270 -1.8153939 5 O -1.7503389 0.2374010 0.0893947 0.3153164 -2.2737958 -0.0588992 0.0200112 0.0541270 -1.8153939 6 O -1.7503389 0.2374010 -0.0893947 0.3153164 -2.2737958 0.0588992 -0.0200112 -0.0541270 -1.8153939 7 O -1.7503389 -0.2374010 0.0893947 -0.3153164 -2.2737958 0.0588992 0.0200112 -0.0541270 -1.8153939 8 O -1.7503389 -0.2374010 -0.0893947 -0.3153164 -2.2737958 -0.0588992 -0.0200112 0.0541270 -1.8153939 9 O -2.2475140 0.0000000 -0.0196802 0.0000000 -1.7089711 0.0000000 -0.0519844 0.0000000 -1.8572371 10 O -2.2475140 0.0000000 0.0196802 0.0000000 -1.7089711 0.0000000 0.0519844 0.0000000 -1.8572371 11 O -2.2475140 0.0000000 -0.0196802 0.0000000 -1.7089711 0.0000000 -0.0519844 0.0000000 -1.8572371 12 O -2.2475140 0.0000000 0.0196802 0.0000000 -1.7089711 0.0000000 0.0519844 0.0000000 -1.8572371 13 O -1.5347870 0.0000000 -0.0303664 0.0000000 -1.5817204 0.0000000 -0.0235242 0.0000000 -2.7783913 14 O -1.5347870 0.0000000 0.0303664 0.0000000 -1.5817204 0.0000000 0.0235242 0.0000000 -2.7783913 15 O -1.5347870 0.0000000 -0.0303664 0.0000000 -1.5817204 0.0000000 -0.0235242 0.0000000 -2.7783913 16 O -1.5347870 0.0000000 0.0303664 0.0000000 -1.5817204 0.0000000 0.0235242 0.0000000 -2.7783913 17 Ge 2.5202880 0.0000000 0.0068550 0.0000000 2.9334210 0.0000000 0.0945296 0.0000000 3.4528237 18 Ge 2.5202880 0.0000000 -0.0068550 0.0000000 2.9334210 0.0000000 -0.0945296 0.0000000 3.4528237 19 Ge 2.5202880 0.0000000 0.0068550 0.0000000 2.9334210 0.0000000 0.0945296 0.0000000 3.4528237 20 Ge 2.5202880 0.0000000 -0.0068550 0.0000000 2.9334210 0.0000000 -0.0945296 0.0000000 3.4528237 21 Cd 2.7680280 0.0000000 -0.1365874 0.0000000 2.5443593 0.0000000 0.0176525 0.0000000 2.2260686 22 Cd 2.7680280 0.0000000 0.1365874 0.0000000 2.5443593 0.0000000 -0.0176525 0.0000000 2.2260686 23 Cd 2.7680280 0.0000000 -0.1365874 0.0000000 2.5443593 0.0000000 0.0176525 0.0000000 2.2260686 24 Cd 2.7680280 0.0000000 0.1365874 0.0000000 2.5443593 0.0000000 -0.0176525 0.0000000 2.2260686 25 Cd 1.9946629 0.3883442 0.1087179 0.3885985 2.3605027 0.2574264 0.0664695 0.0937087 2.5875238 26 Cd 1.9946629 0.3883442 -0.1087179 0.3885985 2.3605027 -0.2574264 -0.0664695 -0.0937087 2.5875238 27 Cd 1.9946629 -0.3883442 0.1087179 -0.3885985 2.3605027 -0.2574264 0.0664695 -0.0937087 2.5875238 28 Cd 1.9946629 -0.3883442 -0.1087179 -0.3885985 2.3605027 0.2574264 -0.0664695 0.0937087 2.5875238 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.043 Solver_block: 200 / 480 - Time: 3.034 Solver_block: 300 / 480 - Time: 3.036 Solver_block: 400 / 480 - Time: 3.026 Solver_block: 480 / 480 - Time: 2.452 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.639 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:52:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:52:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207501850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.587259359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.223371709999999 Atomic positions (fractional): 1 O 0.33483492954129 0.46204444461297 0.22170554685189 15.999 2 O 0.16516507045871 0.53795555538703 0.72170554685189 15.999 3 O 0.66516507045871 0.96204444461297 0.77829445314811 15.999 4 O 0.83483492954129 0.03795555538703 0.27829445314811 15.999 5 O 0.66516507045871 0.53795555538703 0.77829445314811 15.999 6 O 0.83483492954129 0.46204444461297 0.27829445314811 15.999 7 O 0.33483492954129 0.03795555538703 0.22170554685189 15.999 8 O 0.16516507045871 0.96204444461297 0.72170554685189 15.999 9 O 0.45217126261280 0.75000000000000 0.78972739298624 15.999 10 O 0.04782873738720 0.25000000000000 0.28972739298624 15.999 11 O 0.54782873738720 0.25000000000000 0.21027260701376 15.999 12 O 0.95217126261280 0.75000000000000 0.71027260701376 15.999 13 O 0.09706840224487 0.75000000000000 0.23130118969159 15.999 14 O 0.40293159775513 0.25000000000000 0.73130118969159 15.999 15 O 0.90293159775513 0.25000000000000 0.76869881030841 15.999 16 O 0.59706840224487 0.75000000000000 0.26869881030841 15.999 17 Ge 0.59817948904583 0.75000000000000 0.93356031122160 72.640 18 Ge 0.90182051095417 0.25000000000000 0.43356031122160 72.640 19 Ge 0.40182051095417 0.25000000000000 0.06643968877840 72.640 20 Ge 0.09817948904583 0.75000000000000 0.56643968877840 72.640 21 Cd 0.77997192539562 0.75000000000000 0.48908834288822 112.411 22 Cd 0.72002807460438 0.25000000000000 0.98908834288822 112.411 23 Cd 0.22002807460438 0.25000000000000 0.51091165711178 112.411 24 Cd 0.27997192539562 0.75000000000000 0.01091165711178 112.411 25 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 26 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 27 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 28 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.207501850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.174518719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.446743419999997 Atomic positions (fractional): 1 O 0.33483492954129 0.23102222230648 0.11085277342594 15.999 > 1 2 O 0.33483492954129 0.73102222230648 0.11085277342594 15.999 > 1 3 O 0.33483492954129 0.23102222230648 0.61085277342594 15.999 > 1 4 O 0.33483492954129 0.73102222230648 0.61085277342594 15.999 > 1 5 O 0.16516507045871 0.26897777769352 0.36085277342594 15.999 > 5 6 O 0.16516507045871 0.76897777769352 0.36085277342594 15.999 > 5 7 O 0.16516507045871 0.26897777769352 0.86085277342594 15.999 > 5 8 O 0.16516507045871 0.76897777769352 0.86085277342594 15.999 > 5 9 O 0.66516507045871 0.48102222230648 0.38914722657406 15.999 > 9 10 O 0.66516507045871 0.98102222230648 0.38914722657406 15.999 > 9 11 O 0.66516507045871 0.48102222230648 0.88914722657406 15.999 > 9 12 O 0.66516507045871 0.98102222230648 0.88914722657406 15.999 > 9 13 O 0.83483492954129 0.01897777769352 0.13914722657406 15.999 > 13 14 O 0.83483492954129 0.51897777769352 0.13914722657406 15.999 > 13 15 O 0.83483492954129 0.01897777769352 0.63914722657406 15.999 > 13 16 O 0.83483492954129 0.51897777769352 0.63914722657406 15.999 > 13 17 O 0.66516507045871 0.26897777769352 0.38914722657406 15.999 > 17 18 O 0.66516507045871 0.76897777769352 0.38914722657406 15.999 > 17 19 O 0.66516507045871 0.26897777769352 0.88914722657406 15.999 > 17 20 O 0.66516507045871 0.76897777769352 0.88914722657406 15.999 > 17 21 O 0.83483492954129 0.23102222230648 0.13914722657406 15.999 > 21 22 O 0.83483492954129 0.73102222230648 0.13914722657406 15.999 > 21 23 O 0.83483492954129 0.23102222230648 0.63914722657406 15.999 > 21 24 O 0.83483492954129 0.73102222230648 0.63914722657406 15.999 > 21 25 O 0.33483492954129 0.01897777769352 0.11085277342594 15.999 > 25 26 O 0.33483492954129 0.51897777769352 0.11085277342594 15.999 > 25 27 O 0.33483492954129 0.01897777769352 0.61085277342594 15.999 > 25 28 O 0.33483492954129 0.51897777769352 0.61085277342594 15.999 > 25 29 O 0.16516507045871 0.48102222230648 0.36085277342594 15.999 > 29 30 O 0.16516507045871 0.98102222230648 0.36085277342594 15.999 > 29 31 O 0.16516507045871 0.48102222230648 0.86085277342594 15.999 > 29 32 O 0.16516507045871 0.98102222230648 0.86085277342594 15.999 > 29 33 O 0.45217126261280 0.37500000000000 0.39486369649312 15.999 > 33 34 O 0.45217126261280 0.87500000000000 0.39486369649312 15.999 > 33 35 O 0.45217126261280 0.37500000000000 0.89486369649312 15.999 > 33 36 O 0.45217126261280 0.87500000000000 0.89486369649312 15.999 > 33 37 O 0.04782873738720 0.12500000000000 0.14486369649312 15.999 > 37 38 O 0.04782873738720 0.62500000000000 0.14486369649312 15.999 > 37 39 O 0.04782873738720 0.12500000000000 0.64486369649312 15.999 > 37 40 O 0.04782873738720 0.62500000000000 0.64486369649312 15.999 > 37 41 O 0.54782873738720 0.12500000000000 0.10513630350688 15.999 > 41 42 O 0.54782873738720 0.62500000000000 0.10513630350688 15.999 > 41 43 O 0.54782873738720 0.12500000000000 0.60513630350688 15.999 > 41 44 O 0.54782873738720 0.62500000000000 0.60513630350688 15.999 > 41 45 O 0.95217126261280 0.37500000000000 0.35513630350688 15.999 > 45 46 O 0.95217126261280 0.87500000000000 0.35513630350688 15.999 > 45 47 O 0.95217126261280 0.37500000000000 0.85513630350688 15.999 > 45 48 O 0.95217126261280 0.87500000000000 0.85513630350688 15.999 > 45 49 O 0.09706840224487 0.37500000000000 0.11565059484579 15.999 > 49 50 O 0.09706840224487 0.87500000000000 0.11565059484579 15.999 > 49 51 O 0.09706840224487 0.37500000000000 0.61565059484579 15.999 > 49 52 O 0.09706840224487 0.87500000000000 0.61565059484579 15.999 > 49 53 O 0.40293159775513 0.12500000000000 0.36565059484579 15.999 > 53 54 O 0.40293159775513 0.62500000000000 0.36565059484579 15.999 > 53 55 O 0.40293159775513 0.12500000000000 0.86565059484579 15.999 > 53 56 O 0.40293159775513 0.62500000000000 0.86565059484579 15.999 > 53 57 O 0.90293159775513 0.12500000000000 0.38434940515421 15.999 > 57 58 O 0.90293159775513 0.62500000000000 0.38434940515421 15.999 > 57 59 O 0.90293159775513 0.12500000000000 0.88434940515421 15.999 > 57 60 O 0.90293159775513 0.62500000000000 0.88434940515421 15.999 > 57 61 O 0.59706840224487 0.37500000000000 0.13434940515420 15.999 > 61 62 O 0.59706840224487 0.87500000000000 0.13434940515420 15.999 > 61 63 O 0.59706840224487 0.37500000000000 0.63434940515421 15.999 > 61 64 O 0.59706840224487 0.87500000000000 0.63434940515421 15.999 > 61 65 Ge 0.59817948904583 0.37500000000000 0.46678015561080 72.640 > 65 66 Ge 0.59817948904583 0.87500000000000 0.46678015561080 72.640 > 65 67 Ge 0.59817948904583 0.37500000000000 0.96678015561080 72.640 > 65 68 Ge 0.59817948904583 0.87500000000000 0.96678015561080 72.640 > 65 69 Ge 0.90182051095417 0.12500000000000 0.21678015561080 72.640 > 69 70 Ge 0.90182051095417 0.62500000000000 0.21678015561080 72.640 > 69 71 Ge 0.90182051095417 0.12500000000000 0.71678015561080 72.640 > 69 72 Ge 0.90182051095417 0.62500000000000 0.71678015561080 72.640 > 69 73 Ge 0.40182051095417 0.12500000000000 0.03321984438920 72.640 > 73 74 Ge 0.40182051095417 0.62500000000000 0.03321984438920 72.640 > 73 75 Ge 0.40182051095417 0.12500000000000 0.53321984438920 72.640 > 73 76 Ge 0.40182051095417 0.62500000000000 0.53321984438920 72.640 > 73 77 Ge 0.09817948904583 0.37500000000000 0.28321984438920 72.640 > 77 78 Ge 0.09817948904583 0.87500000000000 0.28321984438920 72.640 > 77 79 Ge 0.09817948904583 0.37500000000000 0.78321984438920 72.640 > 77 80 Ge 0.09817948904583 0.87500000000000 0.78321984438920 72.640 > 77 81 Cd 0.77997192539562 0.37500000000000 0.24454417144411 112.411 > 81 82 Cd 0.77997192539562 0.87500000000000 0.24454417144411 112.411 > 81 83 Cd 0.77997192539562 0.37500000000000 0.74454417144411 112.411 > 81 84 Cd 0.77997192539562 0.87500000000000 0.74454417144411 112.411 > 81 85 Cd 0.72002807460438 0.12500000000000 0.49454417144411 112.411 > 85 86 Cd 0.72002807460438 0.62500000000000 0.49454417144411 112.411 > 85 87 Cd 0.72002807460438 0.12500000000000 0.99454417144411 112.411 > 85 88 Cd 0.72002807460438 0.62500000000000 0.99454417144411 112.411 > 85 89 Cd 0.22002807460438 0.12500000000000 0.25545582855589 112.411 > 89 90 Cd 0.22002807460438 0.62500000000000 0.25545582855589 112.411 > 89 91 Cd 0.22002807460438 0.12500000000000 0.75545582855589 112.411 > 89 92 Cd 0.22002807460438 0.62500000000000 0.75545582855589 112.411 > 89 93 Cd 0.27997192539562 0.37500000000000 0.00545582855589 112.411 > 93 94 Cd 0.27997192539562 0.87500000000000 0.00545582855589 112.411 > 93 95 Cd 0.27997192539562 0.37500000000000 0.50545582855589 112.411 > 93 96 Cd 0.27997192539562 0.87500000000000 0.50545582855589 112.411 > 93 97 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 97 98 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 97 99 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 97 100 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 97 101 Cd 0.00000000000000 0.25000000000000 0.00000000000000 112.411 > 101 102 Cd 0.00000000000000 0.75000000000000 0.00000000000000 112.411 > 101 103 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 101 104 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 101 105 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 105 106 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 105 107 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 105 108 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 105 109 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 109 110 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 109 111 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 109 112 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2280327 0.0000000 0.0000000 0.0000000 4.4639411 0.0000000 0.0000000 0.0000000 4.5328764 -------------------------- Born effective charges -------------------------- 1 O -1.7503389 0.2374010 0.0893947 0.3153164 -2.2737958 -0.0588992 0.0200112 0.0541270 -1.8153939 2 O -1.7503389 0.2374010 -0.0893947 0.3153164 -2.2737958 0.0588992 -0.0200112 -0.0541270 -1.8153939 3 O -1.7503389 -0.2374010 0.0893947 -0.3153164 -2.2737958 0.0588992 0.0200112 -0.0541270 -1.8153939 4 O -1.7503389 -0.2374010 -0.0893947 -0.3153164 -2.2737958 -0.0588992 -0.0200112 0.0541270 -1.8153939 5 O -1.7503389 0.2374010 0.0893947 0.3153164 -2.2737958 -0.0588992 0.0200112 0.0541270 -1.8153939 6 O -1.7503389 0.2374010 -0.0893947 0.3153164 -2.2737958 0.0588992 -0.0200112 -0.0541270 -1.8153939 7 O -1.7503389 -0.2374010 0.0893947 -0.3153164 -2.2737958 0.0588992 0.0200112 -0.0541270 -1.8153939 8 O -1.7503389 -0.2374010 -0.0893947 -0.3153164 -2.2737958 -0.0588992 -0.0200112 0.0541270 -1.8153939 9 O -2.2475140 0.0000000 -0.0196802 0.0000000 -1.7089711 0.0000000 -0.0519844 0.0000000 -1.8572371 10 O -2.2475140 0.0000000 0.0196802 0.0000000 -1.7089711 0.0000000 0.0519844 0.0000000 -1.8572371 11 O -2.2475140 0.0000000 -0.0196802 0.0000000 -1.7089711 0.0000000 -0.0519844 0.0000000 -1.8572371 12 O -2.2475140 0.0000000 0.0196802 0.0000000 -1.7089711 0.0000000 0.0519844 0.0000000 -1.8572371 13 O -1.5347870 0.0000000 -0.0303664 0.0000000 -1.5817204 0.0000000 -0.0235242 0.0000000 -2.7783913 14 O -1.5347870 0.0000000 0.0303664 0.0000000 -1.5817204 0.0000000 0.0235242 0.0000000 -2.7783913 15 O -1.5347870 0.0000000 -0.0303664 0.0000000 -1.5817204 0.0000000 -0.0235242 0.0000000 -2.7783913 16 O -1.5347870 0.0000000 0.0303664 0.0000000 -1.5817204 0.0000000 0.0235242 0.0000000 -2.7783913 17 Ge 2.5202880 0.0000000 0.0068550 0.0000000 2.9334210 0.0000000 0.0945296 0.0000000 3.4528237 18 Ge 2.5202880 0.0000000 -0.0068550 0.0000000 2.9334210 0.0000000 -0.0945296 0.0000000 3.4528237 19 Ge 2.5202880 0.0000000 0.0068550 0.0000000 2.9334210 0.0000000 0.0945296 0.0000000 3.4528237 20 Ge 2.5202880 0.0000000 -0.0068550 0.0000000 2.9334210 0.0000000 -0.0945296 0.0000000 3.4528237 21 Cd 2.7680280 0.0000000 -0.1365874 0.0000000 2.5443593 0.0000000 0.0176525 0.0000000 2.2260686 22 Cd 2.7680280 0.0000000 0.1365874 0.0000000 2.5443593 0.0000000 -0.0176525 0.0000000 2.2260686 23 Cd 2.7680280 0.0000000 -0.1365874 0.0000000 2.5443593 0.0000000 0.0176525 0.0000000 2.2260686 24 Cd 2.7680280 0.0000000 0.1365874 0.0000000 2.5443593 0.0000000 -0.0176525 0.0000000 2.2260686 25 Cd 1.9946629 0.3883442 0.1087179 0.3885985 2.3605027 0.2574264 0.0664695 0.0937087 2.5875238 26 Cd 1.9946629 0.3883442 -0.1087179 0.3885985 2.3605027 -0.2574264 -0.0664695 -0.0937087 2.5875238 27 Cd 1.9946629 -0.3883442 0.1087179 -0.3885985 2.3605027 -0.2574264 0.0664695 -0.0937087 2.5875238 28 Cd 1.9946629 -0.3883442 -0.1087179 -0.3885985 2.3605027 0.2574264 -0.0664695 0.0937087 2.5875238 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:53:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:53:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207501850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.587259359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.223371709999999 Atomic positions (fractional): 1 O 0.33483492954129 0.46204444461297 0.22170554685189 15.999 2 O 0.16516507045871 0.53795555538703 0.72170554685189 15.999 3 O 0.66516507045871 0.96204444461297 0.77829445314811 15.999 4 O 0.83483492954129 0.03795555538703 0.27829445314811 15.999 5 O 0.66516507045871 0.53795555538703 0.77829445314811 15.999 6 O 0.83483492954129 0.46204444461297 0.27829445314811 15.999 7 O 0.33483492954129 0.03795555538703 0.22170554685189 15.999 8 O 0.16516507045871 0.96204444461297 0.72170554685189 15.999 9 O 0.45217126261280 0.75000000000000 0.78972739298624 15.999 10 O 0.04782873738720 0.25000000000000 0.28972739298624 15.999 11 O 0.54782873738720 0.25000000000000 0.21027260701376 15.999 12 O 0.95217126261280 0.75000000000000 0.71027260701376 15.999 13 O 0.09706840224487 0.75000000000000 0.23130118969159 15.999 14 O 0.40293159775513 0.25000000000000 0.73130118969159 15.999 15 O 0.90293159775513 0.25000000000000 0.76869881030841 15.999 16 O 0.59706840224487 0.75000000000000 0.26869881030841 15.999 17 Ge 0.59817948904583 0.75000000000000 0.93356031122160 72.640 18 Ge 0.90182051095417 0.25000000000000 0.43356031122160 72.640 19 Ge 0.40182051095417 0.25000000000000 0.06643968877840 72.640 20 Ge 0.09817948904583 0.75000000000000 0.56643968877840 72.640 21 Cd 0.77997192539562 0.75000000000000 0.48908834288822 112.411 22 Cd 0.72002807460438 0.25000000000000 0.98908834288822 112.411 23 Cd 0.22002807460438 0.25000000000000 0.51091165711178 112.411 24 Cd 0.27997192539562 0.75000000000000 0.01091165711178 112.411 25 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 26 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 27 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 28 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.207501850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.174518719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.446743419999997 Atomic positions (fractional): 1 O 0.33483492954129 0.23102222230648 0.11085277342594 15.999 > 1 2 O 0.33483492954129 0.73102222230648 0.11085277342594 15.999 > 1 3 O 0.33483492954129 0.23102222230648 0.61085277342594 15.999 > 1 4 O 0.33483492954129 0.73102222230648 0.61085277342594 15.999 > 1 5 O 0.16516507045871 0.26897777769352 0.36085277342594 15.999 > 5 6 O 0.16516507045871 0.76897777769352 0.36085277342594 15.999 > 5 7 O 0.16516507045871 0.26897777769352 0.86085277342594 15.999 > 5 8 O 0.16516507045871 0.76897777769352 0.86085277342594 15.999 > 5 9 O 0.66516507045871 0.48102222230648 0.38914722657406 15.999 > 9 10 O 0.66516507045871 0.98102222230648 0.38914722657406 15.999 > 9 11 O 0.66516507045871 0.48102222230648 0.88914722657406 15.999 > 9 12 O 0.66516507045871 0.98102222230648 0.88914722657406 15.999 > 9 13 O 0.83483492954129 0.01897777769352 0.13914722657406 15.999 > 13 14 O 0.83483492954129 0.51897777769352 0.13914722657406 15.999 > 13 15 O 0.83483492954129 0.01897777769352 0.63914722657406 15.999 > 13 16 O 0.83483492954129 0.51897777769352 0.63914722657406 15.999 > 13 17 O 0.66516507045871 0.26897777769352 0.38914722657406 15.999 > 17 18 O 0.66516507045871 0.76897777769352 0.38914722657406 15.999 > 17 19 O 0.66516507045871 0.26897777769352 0.88914722657406 15.999 > 17 20 O 0.66516507045871 0.76897777769352 0.88914722657406 15.999 > 17 21 O 0.83483492954129 0.23102222230648 0.13914722657406 15.999 > 21 22 O 0.83483492954129 0.73102222230648 0.13914722657406 15.999 > 21 23 O 0.83483492954129 0.23102222230648 0.63914722657406 15.999 > 21 24 O 0.83483492954129 0.73102222230648 0.63914722657406 15.999 > 21 25 O 0.33483492954129 0.01897777769352 0.11085277342594 15.999 > 25 26 O 0.33483492954129 0.51897777769352 0.11085277342594 15.999 > 25 27 O 0.33483492954129 0.01897777769352 0.61085277342594 15.999 > 25 28 O 0.33483492954129 0.51897777769352 0.61085277342594 15.999 > 25 29 O 0.16516507045871 0.48102222230648 0.36085277342594 15.999 > 29 30 O 0.16516507045871 0.98102222230648 0.36085277342594 15.999 > 29 31 O 0.16516507045871 0.48102222230648 0.86085277342594 15.999 > 29 32 O 0.16516507045871 0.98102222230648 0.86085277342594 15.999 > 29 33 O 0.45217126261280 0.37500000000000 0.39486369649312 15.999 > 33 34 O 0.45217126261280 0.87500000000000 0.39486369649312 15.999 > 33 35 O 0.45217126261280 0.37500000000000 0.89486369649312 15.999 > 33 36 O 0.45217126261280 0.87500000000000 0.89486369649312 15.999 > 33 37 O 0.04782873738720 0.12500000000000 0.14486369649312 15.999 > 37 38 O 0.04782873738720 0.62500000000000 0.14486369649312 15.999 > 37 39 O 0.04782873738720 0.12500000000000 0.64486369649312 15.999 > 37 40 O 0.04782873738720 0.62500000000000 0.64486369649312 15.999 > 37 41 O 0.54782873738720 0.12500000000000 0.10513630350688 15.999 > 41 42 O 0.54782873738720 0.62500000000000 0.10513630350688 15.999 > 41 43 O 0.54782873738720 0.12500000000000 0.60513630350688 15.999 > 41 44 O 0.54782873738720 0.62500000000000 0.60513630350688 15.999 > 41 45 O 0.95217126261280 0.37500000000000 0.35513630350688 15.999 > 45 46 O 0.95217126261280 0.87500000000000 0.35513630350688 15.999 > 45 47 O 0.95217126261280 0.37500000000000 0.85513630350688 15.999 > 45 48 O 0.95217126261280 0.87500000000000 0.85513630350688 15.999 > 45 49 O 0.09706840224487 0.37500000000000 0.11565059484579 15.999 > 49 50 O 0.09706840224487 0.87500000000000 0.11565059484579 15.999 > 49 51 O 0.09706840224487 0.37500000000000 0.61565059484579 15.999 > 49 52 O 0.09706840224487 0.87500000000000 0.61565059484579 15.999 > 49 53 O 0.40293159775513 0.12500000000000 0.36565059484579 15.999 > 53 54 O 0.40293159775513 0.62500000000000 0.36565059484579 15.999 > 53 55 O 0.40293159775513 0.12500000000000 0.86565059484579 15.999 > 53 56 O 0.40293159775513 0.62500000000000 0.86565059484579 15.999 > 53 57 O 0.90293159775513 0.12500000000000 0.38434940515421 15.999 > 57 58 O 0.90293159775513 0.62500000000000 0.38434940515421 15.999 > 57 59 O 0.90293159775513 0.12500000000000 0.88434940515421 15.999 > 57 60 O 0.90293159775513 0.62500000000000 0.88434940515421 15.999 > 57 61 O 0.59706840224487 0.37500000000000 0.13434940515420 15.999 > 61 62 O 0.59706840224487 0.87500000000000 0.13434940515420 15.999 > 61 63 O 0.59706840224487 0.37500000000000 0.63434940515421 15.999 > 61 64 O 0.59706840224487 0.87500000000000 0.63434940515421 15.999 > 61 65 Ge 0.59817948904583 0.37500000000000 0.46678015561080 72.640 > 65 66 Ge 0.59817948904583 0.87500000000000 0.46678015561080 72.640 > 65 67 Ge 0.59817948904583 0.37500000000000 0.96678015561080 72.640 > 65 68 Ge 0.59817948904583 0.87500000000000 0.96678015561080 72.640 > 65 69 Ge 0.90182051095417 0.12500000000000 0.21678015561080 72.640 > 69 70 Ge 0.90182051095417 0.62500000000000 0.21678015561080 72.640 > 69 71 Ge 0.90182051095417 0.12500000000000 0.71678015561080 72.640 > 69 72 Ge 0.90182051095417 0.62500000000000 0.71678015561080 72.640 > 69 73 Ge 0.40182051095417 0.12500000000000 0.03321984438920 72.640 > 73 74 Ge 0.40182051095417 0.62500000000000 0.03321984438920 72.640 > 73 75 Ge 0.40182051095417 0.12500000000000 0.53321984438920 72.640 > 73 76 Ge 0.40182051095417 0.62500000000000 0.53321984438920 72.640 > 73 77 Ge 0.09817948904583 0.37500000000000 0.28321984438920 72.640 > 77 78 Ge 0.09817948904583 0.87500000000000 0.28321984438920 72.640 > 77 79 Ge 0.09817948904583 0.37500000000000 0.78321984438920 72.640 > 77 80 Ge 0.09817948904583 0.87500000000000 0.78321984438920 72.640 > 77 81 Cd 0.77997192539562 0.37500000000000 0.24454417144411 112.411 > 81 82 Cd 0.77997192539562 0.87500000000000 0.24454417144411 112.411 > 81 83 Cd 0.77997192539562 0.37500000000000 0.74454417144411 112.411 > 81 84 Cd 0.77997192539562 0.87500000000000 0.74454417144411 112.411 > 81 85 Cd 0.72002807460438 0.12500000000000 0.49454417144411 112.411 > 85 86 Cd 0.72002807460438 0.62500000000000 0.49454417144411 112.411 > 85 87 Cd 0.72002807460438 0.12500000000000 0.99454417144411 112.411 > 85 88 Cd 0.72002807460438 0.62500000000000 0.99454417144411 112.411 > 85 89 Cd 0.22002807460438 0.12500000000000 0.25545582855589 112.411 > 89 90 Cd 0.22002807460438 0.62500000000000 0.25545582855589 112.411 > 89 91 Cd 0.22002807460438 0.12500000000000 0.75545582855589 112.411 > 89 92 Cd 0.22002807460438 0.62500000000000 0.75545582855589 112.411 > 89 93 Cd 0.27997192539562 0.37500000000000 0.00545582855589 112.411 > 93 94 Cd 0.27997192539562 0.87500000000000 0.00545582855589 112.411 > 93 95 Cd 0.27997192539562 0.37500000000000 0.50545582855589 112.411 > 93 96 Cd 0.27997192539562 0.87500000000000 0.50545582855589 112.411 > 93 97 Cd 0.50000000000000 0.25000000000000 0.25000000000000 112.411 > 97 98 Cd 0.50000000000000 0.75000000000000 0.25000000000000 112.411 > 97 99 Cd 0.50000000000000 0.25000000000000 0.75000000000000 112.411 > 97 100 Cd 0.50000000000000 0.75000000000000 0.75000000000000 112.411 > 97 101 Cd 0.00000000000000 0.25000000000000 0.00000000000000 112.411 > 101 102 Cd 0.00000000000000 0.75000000000000 0.00000000000000 112.411 > 101 103 Cd 0.00000000000000 0.25000000000000 0.50000000000000 112.411 > 101 104 Cd 0.00000000000000 0.75000000000000 0.50000000000000 112.411 > 101 105 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 105 106 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 105 107 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 105 108 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 105 109 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 109 110 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 109 111 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 109 112 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2280327 0.0000000 0.0000000 0.0000000 4.4639411 0.0000000 0.0000000 0.0000000 4.5328764 -------------------------- Born effective charges -------------------------- 1 O -1.7503389 0.2374010 0.0893947 0.3153164 -2.2737958 -0.0588992 0.0200112 0.0541270 -1.8153939 2 O -1.7503389 0.2374010 -0.0893947 0.3153164 -2.2737958 0.0588992 -0.0200112 -0.0541270 -1.8153939 3 O -1.7503389 -0.2374010 0.0893947 -0.3153164 -2.2737958 0.0588992 0.0200112 -0.0541270 -1.8153939 4 O -1.7503389 -0.2374010 -0.0893947 -0.3153164 -2.2737958 -0.0588992 -0.0200112 0.0541270 -1.8153939 5 O -1.7503389 0.2374010 0.0893947 0.3153164 -2.2737958 -0.0588992 0.0200112 0.0541270 -1.8153939 6 O -1.7503389 0.2374010 -0.0893947 0.3153164 -2.2737958 0.0588992 -0.0200112 -0.0541270 -1.8153939 7 O -1.7503389 -0.2374010 0.0893947 -0.3153164 -2.2737958 0.0588992 0.0200112 -0.0541270 -1.8153939 8 O -1.7503389 -0.2374010 -0.0893947 -0.3153164 -2.2737958 -0.0588992 -0.0200112 0.0541270 -1.8153939 9 O -2.2475140 0.0000000 -0.0196802 0.0000000 -1.7089711 0.0000000 -0.0519844 0.0000000 -1.8572371 10 O -2.2475140 0.0000000 0.0196802 0.0000000 -1.7089711 0.0000000 0.0519844 0.0000000 -1.8572371 11 O -2.2475140 0.0000000 -0.0196802 0.0000000 -1.7089711 0.0000000 -0.0519844 0.0000000 -1.8572371 12 O -2.2475140 0.0000000 0.0196802 0.0000000 -1.7089711 0.0000000 0.0519844 0.0000000 -1.8572371 13 O -1.5347870 0.0000000 -0.0303664 0.0000000 -1.5817204 0.0000000 -0.0235242 0.0000000 -2.7783913 14 O -1.5347870 0.0000000 0.0303664 0.0000000 -1.5817204 0.0000000 0.0235242 0.0000000 -2.7783913 15 O -1.5347870 0.0000000 -0.0303664 0.0000000 -1.5817204 0.0000000 -0.0235242 0.0000000 -2.7783913 16 O -1.5347870 0.0000000 0.0303664 0.0000000 -1.5817204 0.0000000 0.0235242 0.0000000 -2.7783913 17 Ge 2.5202880 0.0000000 0.0068550 0.0000000 2.9334210 0.0000000 0.0945296 0.0000000 3.4528237 18 Ge 2.5202880 0.0000000 -0.0068550 0.0000000 2.9334210 0.0000000 -0.0945296 0.0000000 3.4528237 19 Ge 2.5202880 0.0000000 0.0068550 0.0000000 2.9334210 0.0000000 0.0945296 0.0000000 3.4528237 20 Ge 2.5202880 0.0000000 -0.0068550 0.0000000 2.9334210 0.0000000 -0.0945296 0.0000000 3.4528237 21 Cd 2.7680280 0.0000000 -0.1365874 0.0000000 2.5443593 0.0000000 0.0176525 0.0000000 2.2260686 22 Cd 2.7680280 0.0000000 0.1365874 0.0000000 2.5443593 0.0000000 -0.0176525 0.0000000 2.2260686 23 Cd 2.7680280 0.0000000 -0.1365874 0.0000000 2.5443593 0.0000000 0.0176525 0.0000000 2.2260686 24 Cd 2.7680280 0.0000000 0.1365874 0.0000000 2.5443593 0.0000000 -0.0176525 0.0000000 2.2260686 25 Cd 1.9946629 0.3883442 0.1087179 0.3885985 2.3605027 0.2574264 0.0664695 0.0937087 2.5875238 26 Cd 1.9946629 0.3883442 -0.1087179 0.3885985 2.3605027 -0.2574264 -0.0664695 -0.0937087 2.5875238 27 Cd 1.9946629 -0.3883442 0.1087179 -0.3885985 2.3605027 -0.2574264 0.0664695 -0.0937087 2.5875238 28 Cd 1.9946629 -0.3883442 -0.1087179 -0.3885985 2.3605027 0.2574264 -0.0664695 0.0937087 2.5875238 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 10 ] 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: 0.57, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 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 1.030 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.999 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 10.096 ( 0.000 0.000 0.000) 0.000 10.249 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 11.190 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.604 ( 0.000 0.000 0.000) 0.000 11.722 ( 0.000 0.000 0.000) 0.000 12.250 ( 0.000 0.000 0.000) 0.000 12.368 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.500 ( 0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.890 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 18.619 ( 0.000 0.000 0.000) 0.000 18.775 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 19.165 ( 0.000 0.000 0.000) 0.000 19.284 ( 0.000 0.000 0.000) 0.000 19.711 ( 0.000 0.000 0.000) 0.000 19.763 ( 0.000 0.000 0.000) 0.000 20.537 ( 0.000 0.000 0.000) 0.000 20.895 ( 0.000 0.000 0.000) 0.000 20.913 ( 0.000 0.000 0.000) 0.000 20.965 ( 0.000 0.000 0.000) 0.000 21.002 ( 0.000 0.000 0.000) 0.000 21.268 ( 0.000 0.000 0.000) 0.000 21.299 ( 0.000 0.000 0.000) 0.000 21.507 ( 0.000 0.000 0.000) 0.000 21.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 20.631 0.000 0.000) 20.631 0.568 ( 25.232 0.000 0.000) 25.232 1.020 ( 43.449 0.000 0.000) 43.449 1.037 ( -1.113 0.000 0.000) 1.113 1.672 ( -21.128 0.000 0.000) 21.128 1.804 ( -3.838 0.000 0.000) 3.838 1.809 ( -9.248 0.000 0.000) 9.248 2.340 ( 11.111 0.000 0.000) 11.111 2.603 ( -17.044 0.000 0.000) 17.044 2.662 ( -3.084 0.000 0.000) 3.084 2.689 ( 17.026 0.000 0.000) 17.026 2.700 ( 1.177 0.000 0.000) 1.177 2.832 ( -3.395 0.000 0.000) 3.395 2.869 ( -0.944 0.000 0.000) 0.944 2.990 ( -6.294 0.000 0.000) 6.294 3.203 ( -7.124 0.000 0.000) 7.124 3.325 ( 5.724 0.000 0.000) 5.724 3.326 ( 1.883 0.000 0.000) 1.883 3.430 ( 4.501 0.000 0.000) 4.501 3.516 ( 3.348 0.000 0.000) 3.348 3.686 ( -2.666 0.000 0.000) 2.666 3.701 ( -18.167 0.000 0.000) 18.167 4.772 ( 19.935 0.000 0.000) 19.935 4.856 ( 7.933 0.000 0.000) 7.933 5.025 ( -5.040 0.000 0.000) 5.040 5.157 ( -2.864 0.000 0.000) 2.864 5.229 ( -3.728 0.000 0.000) 3.728 5.320 ( 1.288 0.000 0.000) 1.288 5.482 ( -1.137 0.000 0.000) 1.137 5.509 ( -3.994 0.000 0.000) 3.994 5.646 ( 2.822 0.000 0.000) 2.822 5.874 ( -6.380 0.000 0.000) 6.380 6.015 ( 2.799 0.000 0.000) 2.799 6.098 ( -0.518 0.000 0.000) 0.518 6.155 ( 4.795 0.000 0.000) 4.795 6.354 ( -4.117 0.000 0.000) 4.117 6.751 ( 0.377 0.000 0.000) 0.377 6.781 ( -0.641 0.000 0.000) 0.641 6.985 ( 2.467 0.000 0.000) 2.467 7.103 ( -1.823 0.000 0.000) 1.823 7.549 ( 9.215 0.000 0.000) 9.215 7.906 ( 2.120 0.000 0.000) 2.120 8.107 ( -10.853 0.000 0.000) 10.853 8.114 ( -6.720 0.000 0.000) 6.720 8.762 ( 12.176 0.000 0.000) 12.176 8.980 ( 1.751 0.000 0.000) 1.751 9.107 ( -2.645 0.000 0.000) 2.645 9.414 ( -15.609 0.000 0.000) 15.609 9.971 ( 1.612 0.000 0.000) 1.612 10.003 ( 2.002 0.000 0.000) 2.002 10.027 ( -0.569 0.000 0.000) 0.569 10.080 ( -1.349 0.000 0.000) 1.349 10.094 ( 12.959 0.000 0.000) 12.959 10.581 ( -7.165 0.000 0.000) 7.165 11.229 ( 2.922 0.000 0.000) 2.922 11.301 ( 8.054 0.000 0.000) 8.054 11.350 ( -1.669 0.000 0.000) 1.669 11.583 ( -2.074 0.000 0.000) 2.074 11.743 ( 2.167 0.000 0.000) 2.167 12.048 ( -8.436 0.000 0.000) 8.436 12.320 ( 0.377 0.000 0.000) 0.377 12.365 ( -0.449 0.000 0.000) 0.449 12.476 ( 0.267 0.000 0.000) 0.267 12.535 ( -2.361 0.000 0.000) 2.361 12.657 ( 1.075 0.000 0.000) 1.075 12.716 ( -0.974 0.000 0.000) 0.974 12.988 ( 6.680 0.000 0.000) 6.680 13.219 ( -2.734 0.000 0.000) 2.734 18.641 ( 1.900 0.000 0.000) 1.900 18.751 ( -1.977 0.000 0.000) 1.977 19.151 ( 0.189 0.000 0.000) 0.189 19.163 ( -0.216 0.000 0.000) 0.216 19.719 ( 0.669 0.000 0.000) 0.669 19.756 ( -0.634 0.000 0.000) 0.634 20.523 ( 0.207 0.000 0.000) 0.207 20.535 ( -0.216 0.000 0.000) 0.216 20.917 ( 0.418 0.000 0.000) 0.418 20.953 ( -0.897 0.000 0.000) 0.897 20.995 ( 0.223 0.000 0.000) 0.223 21.002 ( -0.030 0.000 0.000) 0.030 21.275 ( 0.549 0.000 0.000) 0.549 21.296 ( -0.247 0.000 0.000) 0.247 21.517 ( 0.804 0.000 0.000) 0.804 21.560 ( -0.722 0.000 0.000) 0.722 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -13.509 0.000 0.000) 13.509 0.881 ( 13.509 0.000 0.000) 13.509 1.119 ( -23.756 0.000 0.000) 23.756 1.119 ( 23.756 0.000 0.000) 23.756 1.724 ( -1.600 0.000 0.000) 1.600 1.724 ( 1.600 0.000 0.000) 1.600 1.976 ( -36.529 0.000 0.000) 36.529 1.976 ( 36.529 0.000 0.000) 36.529 2.550 ( -7.276 0.000 0.000) 7.276 2.550 ( 7.276 0.000 0.000) 7.276 2.748 ( -3.276 0.000 0.000) 3.276 2.748 ( 3.276 0.000 0.000) 3.276 2.886 ( -2.653 0.000 0.000) 2.653 2.886 ( 2.653 0.000 0.000) 2.653 3.012 ( -10.999 0.000 0.000) 10.999 3.012 ( 10.999 0.000 0.000) 10.999 3.383 ( -3.165 0.000 0.000) 3.165 3.383 ( 3.165 0.000 0.000) 3.165 3.480 ( -1.031 0.000 0.000) 1.031 3.480 ( 1.031 0.000 0.000) 1.031 3.606 ( -4.214 0.000 0.000) 4.214 3.606 ( 4.214 0.000 0.000) 4.214 4.980 ( -0.154 0.000 0.000) 0.154 4.980 ( 0.154 0.000 0.000) 0.154 5.069 ( -9.803 0.000 0.000) 9.803 5.069 ( 9.803 0.000 0.000) 9.803 5.230 ( -8.574 0.000 0.000) 8.574 5.230 ( 8.574 0.000 0.000) 8.574 5.463 ( -0.001 0.000 0.000) 0.001 5.463 ( 0.001 0.000 0.000) 0.001 5.740 ( -5.343 0.000 0.000) 5.343 5.740 ( 5.343 0.000 0.000) 5.343 6.072 ( -1.949 0.000 0.000) 1.949 6.072 ( 1.949 0.000 0.000) 1.949 6.255 ( -4.414 0.000 0.000) 4.414 6.255 ( 4.414 0.000 0.000) 4.414 6.764 ( -0.740 0.000 0.000) 0.740 6.764 ( 0.740 0.000 0.000) 0.740 7.048 ( -2.904 0.000 0.000) 2.904 7.048 ( 2.904 0.000 0.000) 2.904 7.816 ( -13.777 0.000 0.000) 13.777 7.816 ( 13.777 0.000 0.000) 13.777 7.982 ( -4.735 0.000 0.000) 4.735 7.982 ( 4.735 0.000 0.000) 4.735 9.037 ( -3.175 0.000 0.000) 3.175 9.037 ( 3.175 0.000 0.000) 3.175 9.071 ( -14.931 0.000 0.000) 14.931 9.071 ( 14.931 0.000 0.000) 14.931 10.006 ( -1.324 0.000 0.000) 1.324 10.006 ( 1.324 0.000 0.000) 1.324 10.042 ( -1.830 0.000 0.000) 1.830 10.042 ( 1.830 0.000 0.000) 1.830 10.371 ( -11.262 0.000 0.000) 11.262 10.371 ( 11.262 0.000 0.000) 11.262 11.298 ( -2.938 0.000 0.000) 2.938 11.298 ( 2.938 0.000 0.000) 2.938 11.489 ( -6.928 0.000 0.000) 6.928 11.489 ( 6.928 0.000 0.000) 6.928 11.845 ( -7.614 0.000 0.000) 7.614 11.845 ( 7.614 0.000 0.000) 7.614 12.344 ( -1.323 0.000 0.000) 1.323 12.344 ( 1.323 0.000 0.000) 1.323 12.494 ( -1.316 0.000 0.000) 1.316 12.494 ( 1.316 0.000 0.000) 1.316 12.687 ( -1.446 0.000 0.000) 1.446 12.687 ( 1.446 0.000 0.000) 1.446 13.128 ( -5.374 0.000 0.000) 5.374 13.128 ( 5.374 0.000 0.000) 5.374 18.696 ( -2.740 0.000 0.000) 2.740 18.696 ( 2.740 0.000 0.000) 2.740 19.157 ( -0.285 0.000 0.000) 0.285 19.157 ( 0.285 0.000 0.000) 0.285 19.738 ( -0.920 0.000 0.000) 0.920 19.738 ( 0.920 0.000 0.000) 0.920 20.529 ( -0.301 0.000 0.000) 0.301 20.529 ( 0.301 0.000 0.000) 0.301 20.932 ( -0.881 0.000 0.000) 0.881 20.932 ( 0.881 0.000 0.000) 0.881 21.000 ( -0.168 0.000 0.000) 0.168 21.000 ( 0.168 0.000 0.000) 0.168 21.287 ( -0.520 0.000 0.000) 0.520 21.287 ( 0.520 0.000 0.000) 0.520 21.539 ( -1.074 0.000 0.000) 1.074 21.539 ( 1.074 0.000 0.000) 1.074 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 22.358 0.000) 22.358 0.426 ( 0.000 22.806 0.000) 22.806 0.968 ( 0.000 49.590 0.000) 49.590 1.185 ( 0.000 14.761 0.000) 14.761 1.917 ( 0.000 6.240 0.000) 6.240 2.019 ( 0.000 1.294 0.000) 1.294 2.042 ( 0.000 -0.716 0.000) 0.716 2.099 ( 0.000 0.403 0.000) 0.403 2.390 ( 0.000 0.982 0.000) 0.982 2.736 ( 0.000 3.049 0.000) 3.049 2.821 ( 0.000 10.822 0.000) 10.822 2.822 ( 0.000 -3.863 0.000) 3.863 2.849 ( 0.000 7.844 0.000) 7.844 2.887 ( 0.000 0.478 0.000) 0.478 3.174 ( 0.000 -2.806 0.000) 2.806 3.176 ( 0.000 4.618 0.000) 4.618 3.202 ( 0.000 -4.632 0.000) 4.632 3.286 ( 0.000 0.138 0.000) 0.138 3.304 ( 0.000 1.412 0.000) 1.412 3.575 ( 0.000 -5.519 0.000) 5.519 3.614 ( 0.000 -8.197 0.000) 8.197 4.264 ( 0.000 9.029 0.000) 9.029 4.291 ( 0.000 0.038 0.000) 0.038 4.904 ( 0.000 13.616 0.000) 13.616 5.001 ( 0.000 -10.080 0.000) 10.080 5.182 ( 0.000 -1.821 0.000) 1.821 5.267 ( 0.000 2.293 0.000) 2.293 5.342 ( 0.000 7.343 0.000) 7.343 5.476 ( 0.000 -2.463 0.000) 2.463 5.572 ( 0.000 0.537 0.000) 0.537 5.656 ( 0.000 4.124 0.000) 4.124 5.769 ( 0.000 -2.143 0.000) 2.143 5.969 ( 0.000 -1.247 0.000) 1.247 6.040 ( 0.000 -1.776 0.000) 1.776 6.150 ( 0.000 3.465 0.000) 3.465 6.292 ( 0.000 -0.517 0.000) 0.517 6.702 ( 0.000 -4.741 0.000) 4.741 6.732 ( 0.000 -6.040 0.000) 6.040 6.896 ( 0.000 -5.750 0.000) 5.750 7.029 ( 0.000 -2.303 0.000) 2.303 7.494 ( 0.000 5.097 0.000) 5.097 7.927 ( 0.000 4.343 0.000) 4.343 8.254 ( 0.000 1.644 0.000) 1.644 8.262 ( 0.000 3.814 0.000) 3.814 8.590 ( 0.000 -0.223 0.000) 0.223 8.954 ( 0.000 -9.745 0.000) 9.745 8.974 ( 0.000 1.379 0.000) 1.379 9.573 ( 0.000 -14.970 0.000) 14.970 9.792 ( 0.000 4.730 0.000) 4.730 10.005 ( 0.000 4.287 0.000) 4.287 10.121 ( 0.000 4.047 0.000) 4.047 10.232 ( 0.000 13.141 0.000) 13.141 10.315 ( 0.000 6.377 0.000) 6.377 10.535 ( 0.000 -12.105 0.000) 12.105 11.150 ( 0.000 -3.966 0.000) 3.966 11.215 ( 0.000 0.233 0.000) 0.233 11.261 ( 0.000 -9.458 0.000) 9.458 11.630 ( 0.000 1.990 0.000) 1.990 11.657 ( 0.000 -6.657 0.000) 6.657 12.221 ( 0.000 -3.004 0.000) 3.004 12.274 ( 0.000 5.256 0.000) 5.256 12.432 ( 0.000 6.307 0.000) 6.307 12.501 ( 0.000 2.437 0.000) 2.437 12.516 ( 0.000 1.689 0.000) 1.689 12.651 ( 0.000 0.688 0.000) 0.688 12.732 ( 0.000 0.414 0.000) 0.414 12.880 ( 0.000 -1.000 0.000) 1.000 13.235 ( 0.000 -1.594 0.000) 1.594 18.626 ( 0.000 0.739 0.000) 0.739 18.773 ( 0.000 -0.037 0.000) 0.037 19.116 ( 0.000 -4.686 0.000) 4.686 19.188 ( 0.000 -8.179 0.000) 8.179 19.800 ( 0.000 8.930 0.000) 8.930 19.890 ( 0.000 11.296 0.000) 11.296 20.589 ( 0.000 4.873 0.000) 4.873 20.899 ( 0.000 0.363 0.000) 0.363 20.903 ( 0.000 -1.171 0.000) 1.171 20.924 ( 0.000 -0.214 0.000) 0.214 20.956 ( 0.000 -1.144 0.000) 1.144 20.999 ( 0.000 -0.395 0.000) 0.395 21.273 ( 0.000 0.618 0.000) 0.618 21.294 ( 0.000 -0.465 0.000) 0.465 21.487 ( 0.000 -2.078 0.000) 2.078 21.499 ( 0.000 -0.936 0.000) 0.936 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 15.773 13.786 0.000) 20.948 0.694 ( 20.480 12.864 0.000) 24.185 1.183 ( -1.955 13.796 0.000) 13.934 1.374 ( 26.997 30.599 0.000) 40.806 1.705 ( -20.193 3.866 0.000) 20.560 1.791 ( -9.684 -1.352 0.000) 9.778 1.891 ( -0.837 9.042 0.000) 9.081 2.346 ( 9.905 0.336 0.000) 9.911 2.620 ( 12.429 -4.797 0.000) 13.323 2.722 ( -4.047 4.423 0.000) 5.996 2.758 ( -6.485 11.112 0.000) 12.866 2.772 ( -2.067 -2.124 0.000) 2.964 2.813 ( -1.257 11.063 0.000) 11.134 2.894 ( 1.250 2.767 0.000) 3.037 3.086 ( -5.831 8.111 0.000) 9.990 3.173 ( -7.863 -2.635 0.000) 8.293 3.252 ( 4.182 -4.921 0.000) 6.458 3.287 ( 4.962 -3.623 0.000) 6.144 3.356 ( 3.540 -5.948 0.000) 6.922 3.575 ( 1.223 1.372 0.000) 1.838 3.581 ( -4.040 -6.352 0.000) 7.528 3.774 ( -17.322 4.136 0.000) 17.809 4.744 ( 16.610 0.018 0.000) 16.610 4.952 ( -2.326 -8.753 0.000) 9.057 5.020 ( 7.832 12.775 0.000) 14.985 5.120 ( -3.058 -2.471 0.000) 3.931 5.247 ( -4.640 0.020 0.000) 4.640 5.333 ( -0.913 7.417 0.000) 7.473 5.477 ( 0.117 -0.993 0.000) 1.000 5.544 ( -1.860 1.852 0.000) 2.624 5.658 ( 2.938 0.623 0.000) 3.003 5.884 ( -5.366 0.990 0.000) 5.456 5.929 ( 5.978 -5.315 0.000) 8.000 6.057 ( -0.336 -3.457 0.000) 3.474 6.191 ( 3.261 2.521 0.000) 4.122 6.326 ( -0.280 -1.812 0.000) 1.834 6.702 ( 0.151 -5.121 0.000) 5.124 6.721 ( -0.570 -5.752 0.000) 5.781 6.934 ( 2.889 -5.069 0.000) 5.835 7.041 ( -0.345 -4.471 0.000) 4.484 7.590 ( 8.285 4.231 0.000) 9.303 7.969 ( 3.042 5.637 0.000) 6.405 8.091 ( -9.657 0.645 0.000) 9.679 8.218 ( -7.106 8.325 0.000) 10.945 8.659 ( 6.086 -7.979 0.000) 10.035 8.932 ( -3.294 -12.889 0.000) 13.304 9.055 ( 6.333 4.823 0.000) 7.960 9.415 ( -8.809 -3.051 0.000) 9.322 9.905 ( 5.296 -2.683 0.000) 5.937 9.994 ( -0.858 2.614 0.000) 2.751 10.081 ( -4.990 7.655 0.000) 9.138 10.102 ( -1.525 1.593 0.000) 2.205 10.381 ( 3.466 14.952 0.000) 15.348 10.530 ( -1.199 -3.992 0.000) 4.168 11.125 ( 0.627 -7.593 0.000) 7.619 11.237 ( -2.076 -9.773 0.000) 9.991 11.349 ( 8.772 1.749 0.000) 8.944 11.614 ( -1.734 1.472 0.000) 2.275 11.681 ( 2.389 -6.343 0.000) 6.778 12.034 ( -10.792 -1.463 0.000) 10.891 12.319 ( 1.511 1.216 0.000) 1.940 12.411 ( -1.737 4.420 0.000) 4.749 12.510 ( 0.657 3.354 0.000) 3.418 12.541 ( -0.060 1.671 0.000) 1.672 12.664 ( 1.097 0.738 0.000) 1.322 12.720 ( -0.874 0.218 0.000) 0.901 12.979 ( 6.670 -0.966 0.000) 6.739 13.206 ( -2.632 -1.474 0.000) 3.017 18.648 ( 1.860 0.697 0.000) 1.986 18.752 ( -1.811 0.164 0.000) 1.819 19.118 ( 0.170 -4.415 0.000) 4.418 19.149 ( -1.775 -3.894 0.000) 4.280 19.806 ( 0.499 8.847 0.000) 8.861 19.853 ( -1.853 10.719 0.000) 10.878 20.591 ( 0.233 5.242 0.000) 5.247 20.674 ( -6.327 9.781 0.000) 11.649 20.908 ( 0.449 -1.138 0.000) 1.224 20.945 ( -0.894 -1.102 0.000) 1.419 20.984 ( 0.756 -0.983 0.000) 1.240 20.998 ( -0.073 -0.441 0.000) 0.447 21.275 ( 0.380 0.224 0.000) 0.441 21.292 ( -0.186 -0.386 0.000) 0.428 21.496 ( 0.781 -2.089 0.000) 2.230 21.527 ( 0.342 -2.632 0.000) 2.655 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -12.848 9.668 0.000) 16.079 0.987 ( 12.848 9.668 0.000) 16.079 1.201 ( -21.357 8.602 0.000) 23.024 1.201 ( 21.357 8.602 0.000) 23.024 1.698 ( -0.407 1.016 0.000) 1.095 1.698 ( 0.407 1.016 0.000) 1.095 2.204 ( -25.640 18.434 0.000) 31.579 2.204 ( 25.640 18.434 0.000) 31.579 2.614 ( -5.082 2.241 0.000) 5.554 2.614 ( 5.082 2.241 0.000) 5.554 2.759 ( -1.828 6.369 0.000) 6.626 2.759 ( 1.828 6.369 0.000) 6.626 2.960 ( -4.740 5.672 0.000) 7.392 2.960 ( 4.740 5.672 0.000) 7.392 2.968 ( -10.643 -3.375 0.000) 11.166 2.968 ( 10.643 -3.375 0.000) 11.166 3.346 ( -2.745 -3.940 0.000) 4.802 3.346 ( 2.745 -3.940 0.000) 4.802 3.427 ( -4.111 -4.758 0.000) 6.288 3.427 ( 4.111 -4.758 0.000) 6.288 3.607 ( -1.960 0.119 0.000) 1.964 3.607 ( 1.960 0.119 0.000) 1.964 4.969 ( -3.909 -5.769 0.000) 6.969 4.969 ( 3.909 -5.769 0.000) 6.969 5.051 ( -11.512 0.320 0.000) 11.516 5.051 ( 11.512 0.320 0.000) 11.516 5.265 ( -6.547 8.136 0.000) 10.443 5.265 ( 6.547 8.136 0.000) 10.443 5.496 ( -1.997 1.538 0.000) 2.521 5.496 ( 1.997 1.538 0.000) 2.521 5.760 ( -5.513 1.393 0.000) 5.687 5.760 ( 5.513 1.393 0.000) 5.687 6.021 ( -2.771 -4.375 0.000) 5.179 6.021 ( 2.771 -4.375 0.000) 5.179 6.271 ( -3.596 1.000 0.000) 3.732 6.271 ( 3.596 1.000 0.000) 3.732 6.710 ( -0.485 -5.475 0.000) 5.496 6.710 ( 0.485 -5.475 0.000) 5.496 7.002 ( -2.814 -4.473 0.000) 5.284 7.002 ( 2.814 -4.473 0.000) 5.284 7.834 ( -12.526 2.086 0.000) 12.698 7.834 ( 12.526 2.086 0.000) 12.698 8.062 ( -5.602 7.756 0.000) 9.568 8.062 ( 5.602 7.756 0.000) 9.568 8.811 ( -6.780 -12.643 0.000) 14.346 8.811 ( 6.780 -12.643 0.000) 14.346 9.224 ( -8.359 4.810 0.000) 9.644 9.224 ( 8.359 4.810 0.000) 9.644 9.972 ( -1.210 0.291 0.000) 1.244 9.972 ( 1.210 0.291 0.000) 1.244 10.060 ( -1.789 -0.205 0.000) 1.801 10.060 ( 1.789 -0.205 0.000) 1.801 10.468 ( -3.945 8.618 0.000) 9.477 10.468 ( 3.945 8.618 0.000) 9.477 11.175 ( -3.126 -10.188 0.000) 10.657 11.175 ( 3.126 -10.188 0.000) 10.657 11.535 ( -6.167 2.164 0.000) 6.535 11.535 ( 6.167 2.164 0.000) 6.535 11.796 ( -8.753 -4.744 0.000) 9.956 11.796 ( 8.753 -4.744 0.000) 9.956 12.364 ( -2.315 2.194 0.000) 3.190 12.364 ( 2.315 2.194 0.000) 3.190 12.527 ( -0.824 3.318 0.000) 3.419 12.527 ( 0.824 3.318 0.000) 3.419 12.693 ( -1.401 0.634 0.000) 1.538 12.693 ( 1.401 0.634 0.000) 1.538 13.117 ( -5.240 -1.192 0.000) 5.374 13.117 ( 5.240 -1.192 0.000) 5.374 18.700 ( -2.602 0.515 0.000) 2.652 18.700 ( 2.602 0.515 0.000) 2.652 19.125 ( -0.559 -3.771 0.000) 3.812 19.125 ( 0.559 -3.771 0.000) 3.812 19.822 ( -1.002 9.088 0.000) 9.143 19.822 ( 1.002 9.088 0.000) 9.143 20.604 ( -1.254 6.670 0.000) 6.787 20.604 ( 1.254 6.670 0.000) 6.787 20.923 ( -0.906 -1.092 0.000) 1.418 20.923 ( 0.906 -1.092 0.000) 1.418 20.994 ( -0.269 -0.574 0.000) 0.634 20.994 ( 0.269 -0.574 0.000) 0.634 21.285 ( -0.408 -0.160 0.000) 0.438 21.285 ( 0.408 -0.160 0.000) 0.438 21.517 ( -0.903 -2.193 0.000) 2.372 21.517 ( 0.903 -2.193 0.000) 2.372 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 25.381 0.000) 25.381 0.861 ( 0.000 22.734 0.000) 22.734 1.512 ( 0.000 17.661 0.000) 17.661 1.800 ( 0.000 29.227 0.000) 29.227 2.048 ( 0.000 2.417 0.000) 2.417 2.084 ( 0.000 -2.082 0.000) 2.082 2.085 ( 0.000 17.058 0.000) 17.058 2.086 ( 0.000 6.046 0.000) 6.046 2.419 ( 0.000 2.604 0.000) 2.604 2.645 ( 0.000 -12.421 0.000) 12.421 2.795 ( 0.000 2.432 0.000) 2.432 2.927 ( 0.000 -4.980 0.000) 4.980 2.979 ( 0.000 3.330 0.000) 3.330 3.008 ( 0.000 10.342 0.000) 10.342 3.094 ( 0.000 -5.532 0.000) 5.532 3.157 ( 0.000 3.372 0.000) 3.372 3.171 ( 0.000 -7.162 0.000) 7.162 3.321 ( 0.000 4.239 0.000) 4.239 3.403 ( 0.000 9.652 0.000) 9.652 3.483 ( 0.000 -4.557 0.000) 4.557 3.531 ( 0.000 3.122 0.000) 3.122 4.336 ( 0.000 5.149 0.000) 5.149 4.440 ( 0.000 8.567 0.000) 8.567 4.716 ( 0.000 -19.774 0.000) 19.774 5.150 ( 0.000 -1.169 0.000) 1.169 5.221 ( 0.000 18.358 0.000) 18.358 5.310 ( 0.000 2.092 0.000) 2.092 5.396 ( 0.000 -5.853 0.000) 5.853 5.458 ( 0.000 3.215 0.000) 3.215 5.608 ( 0.000 1.077 0.000) 1.077 5.747 ( 0.000 4.085 0.000) 4.085 5.766 ( 0.000 5.201 0.000) 5.201 5.948 ( 0.000 -1.477 0.000) 1.477 6.000 ( 0.000 -2.209 0.000) 2.209 6.200 ( 0.000 1.863 0.000) 1.863 6.295 ( 0.000 1.542 0.000) 1.542 6.572 ( 0.000 -8.780 0.000) 8.780 6.596 ( 0.000 -7.588 0.000) 7.588 6.755 ( 0.000 -8.664 0.000) 8.664 6.959 ( 0.000 -5.113 0.000) 5.113 7.610 ( 0.000 6.758 0.000) 6.758 8.024 ( 0.000 4.743 0.000) 4.743 8.299 ( 0.000 2.746 0.000) 2.746 8.333 ( 0.000 2.921 0.000) 2.921 8.605 ( 0.000 2.559 0.000) 2.559 8.755 ( 0.000 -9.200 0.000) 9.200 9.011 ( 0.000 2.070 0.000) 2.070 9.296 ( 0.000 -13.853 0.000) 13.853 9.908 ( 0.000 7.397 0.000) 7.397 10.061 ( 0.000 2.268 0.000) 2.268 10.282 ( 0.000 -12.799 0.000) 12.799 10.290 ( 0.000 12.684 0.000) 12.684 10.435 ( 0.000 7.045 0.000) 7.045 10.464 ( 0.000 8.664 0.000) 8.664 11.053 ( 0.000 -11.358 0.000) 11.358 11.059 ( 0.000 -4.972 0.000) 4.972 11.179 ( 0.000 -4.262 0.000) 4.262 11.480 ( 0.000 -11.528 0.000) 11.528 11.672 ( 0.000 2.773 0.000) 2.773 12.139 ( 0.000 -5.523 0.000) 5.523 12.397 ( 0.000 7.165 0.000) 7.165 12.552 ( 0.000 2.634 0.000) 2.634 12.563 ( 0.000 3.245 0.000) 3.245 12.567 ( 0.000 5.903 0.000) 5.903 12.686 ( 0.000 4.263 0.000) 4.263 12.735 ( 0.000 -0.333 0.000) 0.333 12.851 ( 0.000 -2.151 0.000) 2.151 13.189 ( 0.000 -3.262 0.000) 3.262 18.649 ( 0.000 1.740 0.000) 1.740 18.778 ( 0.000 0.679 0.000) 0.679 19.013 ( 0.000 -5.616 0.000) 5.616 19.025 ( 0.000 -8.366 0.000) 8.366 20.023 ( 0.000 13.825 0.000) 13.825 20.136 ( 0.000 13.793 0.000) 13.793 20.695 ( 0.000 5.504 0.000) 5.504 20.863 ( 0.000 -3.118 0.000) 3.118 20.906 ( 0.000 -3.513 0.000) 3.513 20.908 ( 0.000 0.521 0.000) 0.521 20.925 ( 0.000 -0.471 0.000) 0.471 20.986 ( 0.000 -0.991 0.000) 0.991 21.285 ( 0.000 -0.271 0.000) 0.271 21.294 ( 0.000 1.670 0.000) 1.670 21.434 ( 0.000 -3.283 0.000) 3.283 21.473 ( 0.000 -1.759 0.000) 1.759 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 8.389 18.636 0.000) 20.437 1.025 ( 13.597 21.010 0.000) 25.026 1.484 ( -5.054 16.104 0.000) 16.879 1.779 ( -7.913 0.426 0.000) 7.924 1.814 ( -10.044 7.699 0.000) 12.655 1.863 ( -8.060 13.028 0.000) 15.319 2.222 ( 13.504 27.212 0.000) 30.379 2.338 ( 8.646 -1.250 0.000) 8.736 2.539 ( 6.556 -1.899 0.000) 6.826 2.689 ( 4.261 -7.905 0.000) 8.981 2.775 ( 1.006 4.053 0.000) 4.176 2.923 ( -1.031 -0.626 0.000) 1.206 3.001 ( 0.480 5.726 0.000) 5.746 3.015 ( 0.846 8.332 0.000) 8.375 3.150 ( 3.369 -7.886 0.000) 8.575 3.191 ( -0.559 -8.732 0.000) 8.750 3.196 ( -0.147 7.022 0.000) 7.024 3.219 ( -5.578 -0.161 0.000) 5.580 3.289 ( -3.427 12.609 0.000) 13.066 3.491 ( -0.531 -2.276 0.000) 2.337 3.602 ( 2.579 2.786 0.000) 3.797 3.883 ( -21.281 8.205 0.000) 22.808 4.702 ( -0.003 -17.298 0.000) 17.298 4.750 ( 9.496 -1.401 0.000) 9.599 5.066 ( -4.112 0.339 0.000) 4.126 5.279 ( -4.140 2.339 0.000) 4.755 5.328 ( 8.387 16.249 0.000) 18.286 5.436 ( 2.284 -2.984 0.000) 3.757 5.468 ( 0.195 4.337 0.000) 4.342 5.597 ( 1.563 0.645 0.000) 1.690 5.664 ( -2.483 4.169 0.000) 4.852 5.891 ( -4.830 -1.453 0.000) 5.044 5.891 ( 4.601 1.306 0.000) 4.783 5.988 ( -1.042 -2.794 0.000) 2.982 6.228 ( 2.265 1.554 0.000) 2.747 6.308 ( 0.294 0.460 0.000) 0.546 6.566 ( -0.024 -8.766 0.000) 8.766 6.588 ( -0.612 -7.613 0.000) 7.638 6.807 ( 3.798 -7.936 0.000) 8.798 6.945 ( -1.406 -5.979 0.000) 6.142 7.693 ( 7.096 6.325 0.000) 9.506 8.087 ( 5.055 5.485 0.000) 7.459 8.130 ( -9.386 3.320 0.000) 9.956 8.413 ( -4.164 11.699 0.000) 12.418 8.511 ( 0.225 -7.177 0.000) 7.180 8.712 ( -3.667 -8.741 0.000) 9.479 9.108 ( 6.149 0.257 0.000) 6.155 9.279 ( -1.484 -10.273 0.000) 10.379 9.927 ( 1.689 4.460 0.000) 4.769 10.069 ( 0.852 4.111 0.000) 4.199 10.097 ( -6.635 -1.820 0.000) 6.880 10.252 ( -7.994 9.030 0.000) 12.060 10.513 ( 9.179 3.659 0.000) 9.881 10.598 ( 4.392 7.988 0.000) 9.116 10.976 ( -3.372 -7.566 0.000) 8.284 11.027 ( -2.427 -11.421 0.000) 11.676 11.341 ( 10.319 -2.526 0.000) 10.624 11.516 ( 3.463 -10.524 0.000) 11.079 11.630 ( -3.476 0.804 0.000) 3.567 11.982 ( -12.001 -4.172 0.000) 12.706 12.382 ( 0.437 4.985 0.000) 5.004 12.500 ( -3.218 4.238 0.000) 5.321 12.587 ( 0.697 3.616 0.000) 3.683 12.596 ( 0.854 3.556 0.000) 3.657 12.700 ( 1.003 4.095 0.000) 4.216 12.721 ( -0.071 0.023 0.000) 0.074 12.951 ( 6.446 -2.094 0.000) 6.778 13.163 ( -2.379 -3.074 0.000) 3.887 18.670 ( 1.753 1.671 0.000) 2.422 18.762 ( -1.463 0.929 0.000) 1.733 19.016 ( 0.303 -5.685 0.000) 5.693 19.027 ( 0.032 -7.451 0.000) 7.451 20.030 ( 0.660 13.963 0.000) 13.979 20.105 ( -2.290 14.458 0.000) 14.638 20.702 ( 0.719 5.672 0.000) 5.718 20.807 ( -4.638 4.473 0.000) 6.444 20.868 ( 0.456 -3.161 0.000) 3.194 20.902 ( -0.774 -3.482 0.000) 3.567 20.964 ( 1.065 -1.103 0.000) 1.533 20.984 ( -0.144 -1.024 0.000) 1.034 21.286 ( 0.037 -0.085 0.000) 0.092 21.289 ( -0.228 1.286 0.000) 1.306 21.444 ( 0.787 -3.265 0.000) 3.358 21.477 ( -0.076 -2.635 0.000) 2.636 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -11.365 12.568 0.000) 16.944 1.203 ( 11.365 12.568 0.000) 16.944 1.431 ( -16.146 15.121 0.000) 22.121 1.431 ( 16.146 15.121 0.000) 22.121 1.769 ( -3.864 4.666 0.000) 6.059 1.769 ( 3.864 4.666 0.000) 6.059 2.439 ( -0.221 0.637 0.000) 0.674 2.439 ( 0.221 0.637 0.000) 0.674 2.699 ( -8.172 8.414 0.000) 11.729 2.699 ( 8.172 8.414 0.000) 11.729 2.892 ( -4.351 3.413 0.000) 5.530 2.892 ( 4.351 3.413 0.000) 5.530 3.003 ( -3.659 9.360 0.000) 10.050 3.003 ( 3.659 9.360 0.000) 10.050 3.061 ( -4.496 3.482 0.000) 5.686 3.061 ( 4.496 3.482 0.000) 5.686 3.228 ( -1.745 -4.497 0.000) 4.824 3.228 ( 1.745 -4.497 0.000) 4.824 3.382 ( -7.977 1.259 0.000) 8.076 3.382 ( 7.977 1.259 0.000) 8.076 3.625 ( -1.553 2.256 0.000) 2.739 3.625 ( 1.553 2.256 0.000) 2.739 4.760 ( -4.633 -13.909 0.000) 14.660 4.760 ( 4.633 -13.909 0.000) 14.660 5.129 ( -7.703 5.922 0.000) 9.716 5.129 ( 7.703 5.922 0.000) 9.716 5.460 ( -1.149 5.139 0.000) 5.266 5.460 ( 1.149 5.139 0.000) 5.266 5.529 ( -6.931 7.403 0.000) 10.141 5.529 ( 6.931 7.403 0.000) 10.141 5.748 ( -7.252 -3.752 0.000) 8.165 5.748 ( 7.252 -3.752 0.000) 8.165 5.958 ( -1.806 -1.028 0.000) 2.078 5.958 ( 1.806 -1.028 0.000) 2.078 6.284 ( -2.259 0.884 0.000) 2.425 6.284 ( 2.259 0.884 0.000) 2.425 6.574 ( -0.568 -8.226 0.000) 8.246 6.574 ( 0.568 -8.226 0.000) 8.246 6.892 ( -3.344 -7.021 0.000) 7.777 6.892 ( 3.344 -7.021 0.000) 7.777 7.900 ( -10.625 4.799 0.000) 11.658 7.900 ( 10.625 4.799 0.000) 11.658 8.232 ( -7.891 8.193 0.000) 11.375 8.232 ( 7.891 8.193 0.000) 11.375 8.609 ( -5.152 -7.077 0.000) 8.753 8.609 ( 5.152 -7.077 0.000) 8.753 9.223 ( -3.771 -4.522 0.000) 5.888 9.223 ( 3.771 -4.522 0.000) 5.888 9.985 ( -3.603 0.394 0.000) 3.625 9.985 ( 3.603 0.394 0.000) 3.625 10.118 ( -3.899 6.889 0.000) 7.916 10.118 ( 3.899 6.889 0.000) 7.916 10.639 ( -1.402 8.417 0.000) 8.534 10.639 ( 1.402 8.417 0.000) 8.534 10.962 ( -2.230 -11.481 0.000) 11.695 10.962 ( 2.230 -11.481 0.000) 11.695 11.532 ( -5.519 -2.365 0.000) 6.005 11.532 ( 5.519 -2.365 0.000) 6.005 11.689 ( -12.527 -5.890 0.000) 13.842 11.689 ( 12.527 -5.890 0.000) 13.842 12.426 ( -3.086 4.149 0.000) 5.171 12.426 ( 3.086 4.149 0.000) 5.171 12.598 ( -0.304 3.140 0.000) 3.155 12.598 ( 0.304 3.140 0.000) 3.155 12.719 ( -0.472 2.635 0.000) 2.677 12.719 ( 0.472 2.635 0.000) 2.677 13.082 ( -4.886 -2.608 0.000) 5.539 13.082 ( 4.886 -2.608 0.000) 5.539 18.718 ( -2.303 1.390 0.000) 2.689 18.718 ( 2.303 1.390 0.000) 2.689 19.024 ( -0.299 -6.175 0.000) 6.183 19.024 ( 0.299 -6.175 0.000) 6.183 20.056 ( -1.739 14.413 0.000) 14.517 20.056 ( 1.739 14.413 0.000) 14.517 20.732 ( -2.153 5.901 0.000) 6.282 20.732 ( 2.153 5.901 0.000) 6.282 20.883 ( -0.859 -3.294 0.000) 3.404 20.883 ( 0.859 -3.294 0.000) 3.404 20.979 ( -0.405 -1.085 0.000) 1.158 20.979 ( 0.405 -1.085 0.000) 1.158 21.287 ( -0.032 0.463 0.000) 0.464 21.287 ( 0.032 0.463 0.000) 0.464 21.464 ( -0.909 -3.139 0.000) 3.268 21.464 ( 0.909 -3.139 0.000) 3.268 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 20.598 0.000) 20.598 1.351 ( 0.000 26.466 0.000) 26.466 1.786 ( 0.000 10.143 0.000) 10.143 1.877 ( 0.000 -8.527 0.000) 8.527 2.024 ( 0.000 -4.051 0.000) 4.051 2.157 ( 0.000 6.035 0.000) 6.035 2.246 ( 0.000 10.410 0.000) 10.410 2.338 ( 0.000 -15.448 0.000) 15.448 2.478 ( 0.000 4.532 0.000) 4.532 2.616 ( 0.000 18.928 0.000) 18.928 2.733 ( 0.000 -13.027 0.000) 13.027 2.956 ( 0.000 -2.908 0.000) 2.908 2.961 ( 0.000 -4.303 0.000) 4.303 2.972 ( 0.000 -6.551 0.000) 6.551 3.034 ( 0.000 17.722 0.000) 17.722 3.174 ( 0.000 5.563 0.000) 5.563 3.214 ( 0.000 1.375 0.000) 1.375 3.439 ( 0.000 5.915 0.000) 5.915 3.457 ( 0.000 1.661 0.000) 1.661 3.593 ( 0.000 7.738 0.000) 7.738 3.640 ( 0.000 6.387 0.000) 6.387 4.264 ( 0.000 -27.413 0.000) 27.413 4.479 ( 0.000 8.821 0.000) 8.821 4.569 ( 0.000 4.750 0.000) 4.750 5.143 ( 0.000 0.269 0.000) 0.269 5.258 ( 0.000 -7.085 0.000) 7.085 5.352 ( 0.000 2.636 0.000) 2.636 5.474 ( 0.000 -1.710 0.000) 1.710 5.568 ( 0.000 16.282 0.000) 16.282 5.601 ( 0.000 1.235 0.000) 1.235 5.763 ( 0.000 -2.665 0.000) 2.665 5.891 ( 0.000 -4.591 0.000) 4.591 5.959 ( 0.000 12.121 0.000) 12.121 5.977 ( 0.000 0.802 0.000) 0.802 6.231 ( 0.000 -0.184 0.000) 0.184 6.323 ( 0.000 -2.680 0.000) 2.680 6.393 ( 0.000 -7.603 0.000) 7.603 6.506 ( 0.000 2.073 0.000) 2.073 6.582 ( 0.000 -9.196 0.000) 9.196 6.832 ( 0.000 -8.258 0.000) 8.258 7.747 ( 0.000 7.697 0.000) 7.697 8.040 ( 0.000 -4.184 0.000) 4.184 8.341 ( 0.000 1.476 0.000) 1.476 8.363 ( 0.000 0.420 0.000) 0.420 8.687 ( 0.000 3.097 0.000) 3.097 8.707 ( 0.000 8.139 0.000) 8.139 9.012 ( 0.000 -3.141 0.000) 3.141 9.050 ( 0.000 -12.172 0.000) 12.172 10.073 ( 0.000 9.940 0.000) 9.940 10.097 ( 0.000 0.991 0.000) 0.991 10.106 ( 0.000 -4.758 0.000) 4.758 10.455 ( 0.000 -5.409 0.000) 5.409 10.557 ( 0.000 14.738 0.000) 14.738 10.625 ( 0.000 7.992 0.000) 7.992 10.872 ( 0.000 -7.036 0.000) 7.036 10.994 ( 0.000 -0.774 0.000) 0.774 11.051 ( 0.000 -9.275 0.000) 9.275 11.246 ( 0.000 -12.214 0.000) 12.214 11.749 ( 0.000 5.448 0.000) 5.448 12.017 ( 0.000 -7.222 0.000) 7.222 12.529 ( 0.000 6.502 0.000) 6.502 12.594 ( 0.000 1.658 0.000) 1.658 12.617 ( 0.000 0.600 0.000) 0.600 12.632 ( 0.000 3.615 0.000) 3.615 12.715 ( 0.000 -1.682 0.000) 1.682 12.799 ( 0.000 -3.307 0.000) 3.307 12.827 ( 0.000 8.925 0.000) 8.925 13.109 ( 0.000 -5.288 0.000) 5.288 18.694 ( 0.000 3.137 0.000) 3.137 18.801 ( 0.000 1.756 0.000) 1.756 18.881 ( 0.000 -6.773 0.000) 6.773 18.916 ( 0.000 -4.424 0.000) 4.424 20.297 ( 0.000 14.314 0.000) 14.314 20.395 ( 0.000 13.175 0.000) 13.175 20.721 ( 0.000 -5.627 0.000) 5.627 20.800 ( 0.000 -7.496 0.000) 7.496 20.837 ( 0.000 3.013 0.000) 3.013 20.917 ( 0.000 0.411 0.000) 0.411 20.924 ( 0.000 -0.006 0.000) 0.006 20.958 ( 0.000 -2.007 0.000) 2.007 21.289 ( 0.000 0.794 0.000) 0.794 21.335 ( 0.000 2.500 0.000) 2.500 21.370 ( 0.000 -3.245 0.000) 3.245 21.433 ( 0.000 -2.379 0.000) 2.379 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 3.471 18.333 0.000) 18.659 1.458 ( 8.586 23.887 0.000) 25.383 1.734 ( -9.450 9.027 0.000) 13.069 1.806 ( -4.119 2.077 0.000) 4.613 1.840 ( -2.768 -6.404 0.000) 6.977 2.077 ( -12.563 13.119 0.000) 18.164 2.258 ( 3.429 -10.941 0.000) 11.466 2.462 ( -2.840 -0.736 0.000) 2.934 2.520 ( 12.304 -4.043 0.000) 12.951 2.680 ( 3.988 8.007 0.000) 8.945 2.785 ( 3.447 -10.290 0.000) 10.852 2.920 ( -2.094 -10.921 0.000) 11.120 3.006 ( 5.098 6.120 0.000) 7.965 3.073 ( 3.343 -2.391 0.000) 4.109 3.126 ( 10.371 20.363 0.000) 22.852 3.147 ( -1.520 4.411 0.000) 4.665 3.189 ( -2.856 -0.173 0.000) 2.861 3.416 ( 0.240 9.123 0.000) 9.127 3.497 ( 1.341 2.104 0.000) 2.495 3.522 ( -3.885 10.064 0.000) 10.788 3.674 ( 0.707 3.696 0.000) 3.763 4.102 ( -20.990 14.586 0.000) 25.560 4.297 ( 3.676 -25.108 0.000) 25.376 4.641 ( -5.012 -9.903 0.000) 11.099 5.144 ( 4.001 6.919 0.000) 7.992 5.325 ( -2.119 2.858 0.000) 3.558 5.365 ( 5.472 -3.650 0.000) 6.578 5.510 ( 2.292 -5.813 0.000) 6.249 5.552 ( -1.997 5.114 0.000) 5.490 5.607 ( 3.327 10.536 0.000) 11.049 5.762 ( -1.258 -0.521 0.000) 1.362 5.814 ( -6.323 -5.436 0.000) 8.339 5.980 ( 1.287 9.133 0.000) 9.223 5.981 ( 0.485 2.758 0.000) 2.800 6.260 ( 2.325 -0.081 0.000) 2.326 6.324 ( -0.038 -2.672 0.000) 2.672 6.402 ( 1.140 -5.604 0.000) 5.719 6.489 ( -1.555 1.177 0.000) 1.950 6.641 ( 4.290 -9.359 0.000) 10.295 6.807 ( -2.183 -8.579 0.000) 8.853 7.824 ( 6.492 7.395 0.000) 9.840 8.106 ( 5.528 -4.311 0.000) 7.011 8.207 ( -8.018 4.505 0.000) 9.197 8.389 ( -2.374 -5.565 0.000) 6.050 8.647 ( -2.707 12.508 0.000) 12.798 8.670 ( -1.317 4.968 0.000) 5.140 9.051 ( 2.165 -6.401 0.000) 6.757 9.063 ( 0.944 -11.869 0.000) 11.907 10.054 ( -1.983 0.262 0.000) 2.000 10.055 ( -1.291 8.696 0.000) 8.791 10.144 ( 2.540 1.174 0.000) 2.798 10.358 ( -6.255 -0.138 0.000) 6.257 10.643 ( 6.180 8.515 0.000) 10.521 10.689 ( 3.660 2.765 0.000) 4.587 10.853 ( -1.933 -6.020 0.000) 6.322 10.863 ( -5.283 -3.840 0.000) 6.531 11.265 ( 12.224 -4.904 0.000) 13.171 11.313 ( 6.088 -9.664 0.000) 11.421 11.667 ( -6.910 3.444 0.000) 7.721 11.881 ( -11.129 -6.176 0.000) 12.727 12.487 ( -0.898 5.629 0.000) 5.700 12.565 ( -2.296 2.631 0.000) 3.492 12.617 ( -0.069 0.022 0.000) 0.073 12.635 ( -1.331 -0.626 0.000) 1.471 12.745 ( 3.552 3.236 0.000) 4.805 12.826 ( -0.259 7.980 0.000) 7.984 12.899 ( 5.983 -3.393 0.000) 6.877 13.087 ( -2.008 -5.008 0.000) 5.396 18.714 ( 1.589 3.036 0.000) 3.427 18.789 ( -1.063 2.037 0.000) 2.298 18.893 ( 0.885 -6.436 0.000) 6.496 18.916 ( -0.047 -4.706 0.000) 4.706 20.305 ( 0.817 14.356 0.000) 14.380 20.375 ( -1.625 13.644 0.000) 13.740 20.730 ( 0.801 -5.716 0.000) 5.771 20.786 ( -1.139 -7.142 0.000) 7.233 20.841 ( 0.303 2.976 0.000) 2.992 20.883 ( -1.688 2.158 0.000) 2.739 20.943 ( 0.622 -1.140 0.000) 1.299 20.957 ( -0.127 -1.955 0.000) 1.959 21.294 ( 0.404 1.023 0.000) 1.100 21.324 ( -0.788 2.313 0.000) 2.443 21.380 ( 0.825 -3.256 0.000) 3.359 21.426 ( -0.720 -2.760 0.000) 2.852 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -8.888 12.900 0.000) 15.666 1.449 ( 8.888 12.900 0.000) 15.666 1.751 ( -10.403 15.943 0.000) 19.037 1.751 ( 10.403 15.943 0.000) 19.037 1.807 ( -4.301 0.229 0.000) 4.307 1.807 ( 4.301 0.229 0.000) 4.307 2.358 ( -5.400 -8.076 0.000) 9.715 2.358 ( 5.400 -8.076 0.000) 9.715 2.719 ( -2.909 -1.838 0.000) 3.441 2.719 ( 2.909 -1.838 0.000) 3.441 2.853 ( -3.396 -7.891 0.000) 8.590 2.853 ( 3.396 -7.891 0.000) 8.590 3.106 ( -3.604 1.959 0.000) 4.101 3.106 ( 3.604 1.959 0.000) 4.101 3.120 ( -1.576 2.032 0.000) 2.572 3.120 ( 1.576 2.032 0.000) 2.572 3.411 ( -6.375 17.404 0.000) 18.535 3.411 ( 6.375 17.404 0.000) 18.535 3.476 ( -2.300 7.140 0.000) 7.501 3.476 ( 2.300 7.140 0.000) 7.501 3.712 ( -8.065 8.610 0.000) 11.797 3.712 ( 8.065 8.610 0.000) 11.797 4.448 ( -9.335 -19.210 0.000) 21.358 4.448 ( 9.335 -19.210 0.000) 21.358 5.254 ( -4.359 6.989 0.000) 8.237 5.254 ( 4.359 6.989 0.000) 8.237 5.465 ( -3.698 -1.156 0.000) 3.875 5.465 ( 3.698 -1.156 0.000) 3.875 5.645 ( -6.725 -4.111 0.000) 7.882 5.645 ( 6.725 -4.111 0.000) 7.882 5.701 ( -3.420 3.267 0.000) 4.730 5.701 ( 3.420 3.267 0.000) 4.730 5.992 ( -0.212 5.814 0.000) 5.818 5.992 ( 0.212 5.814 0.000) 5.818 6.309 ( -1.562 -1.508 0.000) 2.171 6.309 ( 1.562 -1.508 0.000) 2.171 6.443 ( -2.260 -1.723 0.000) 2.842 6.443 ( 2.260 -1.723 0.000) 2.842 6.738 ( -3.954 -9.111 0.000) 9.932 6.738 ( 3.954 -9.111 0.000) 9.932 8.008 ( -9.276 6.346 0.000) 11.239 8.008 ( 9.276 6.346 0.000) 11.239 8.260 ( -7.525 -5.072 0.000) 9.075 8.260 ( 7.525 -5.072 0.000) 9.075 8.639 ( -1.151 9.549 0.000) 9.618 8.639 ( 1.151 9.549 0.000) 9.618 9.077 ( -0.057 -10.209 0.000) 10.209 9.077 ( 0.057 -10.209 0.000) 10.209 10.033 ( -0.250 5.168 0.000) 5.174 10.033 ( 0.250 5.168 0.000) 5.174 10.228 ( -4.967 2.067 0.000) 5.380 10.228 ( 4.967 2.067 0.000) 5.380 10.758 ( -0.570 3.154 0.000) 3.205 10.758 ( 0.570 3.154 0.000) 3.205 10.786 ( -1.942 -5.197 0.000) 5.548 10.786 ( 1.942 -5.197 0.000) 5.548 11.478 ( -9.010 -1.959 0.000) 9.221 11.478 ( 9.010 -1.959 0.000) 9.221 11.581 ( -14.538 -5.490 0.000) 15.540 11.581 ( 14.538 -5.490 0.000) 15.540 12.508 ( -2.289 4.230 0.000) 4.809 12.508 ( 2.289 4.230 0.000) 4.809 12.617 ( -0.247 -0.885 0.000) 0.919 12.617 ( 0.247 -0.885 0.000) 0.919 12.806 ( -1.733 5.972 0.000) 6.218 12.806 ( 1.733 5.972 0.000) 6.218 13.017 ( -4.293 -4.267 0.000) 6.053 13.017 ( 4.293 -4.267 0.000) 6.053 18.755 ( -1.896 2.624 0.000) 3.237 18.755 ( 1.896 2.624 0.000) 3.237 18.910 ( -0.542 -5.525 0.000) 5.552 18.910 ( 0.542 -5.525 0.000) 5.552 20.334 ( -1.739 14.250 0.000) 14.356 20.334 ( 1.739 14.250 0.000) 14.356 20.756 ( -1.421 -6.191 0.000) 6.352 20.756 ( 1.421 -6.191 0.000) 6.352 20.853 ( -0.902 2.872 0.000) 3.010 20.853 ( 0.902 2.872 0.000) 3.010 20.952 ( -0.285 -1.721 0.000) 1.744 20.952 ( 0.285 -1.721 0.000) 1.744 21.306 ( -0.699 1.646 0.000) 1.788 21.306 ( 0.699 1.646 0.000) 1.788 21.403 ( -1.155 -3.167 0.000) 3.371 21.403 ( 1.155 -3.167 0.000) 3.371 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 -16.422 0.000) 16.422 1.630 ( 0.000 16.422 0.000) 16.422 1.833 ( 0.000 -20.906 0.000) 20.906 1.833 ( 0.000 20.906 0.000) 20.906 1.944 ( 0.000 -1.648 0.000) 1.648 1.944 ( 0.000 1.648 0.000) 1.648 2.444 ( 0.000 -8.422 0.000) 8.422 2.444 ( 0.000 8.422 0.000) 8.422 2.465 ( 0.000 -14.561 0.000) 14.561 2.465 ( 0.000 14.561 0.000) 14.561 2.828 ( 0.000 -7.727 0.000) 7.727 2.828 ( 0.000 7.727 0.000) 7.727 2.890 ( 0.000 -2.305 0.000) 2.305 2.890 ( 0.000 2.305 0.000) 2.305 3.222 ( 0.000 -0.530 0.000) 0.530 3.222 ( 0.000 0.530 0.000) 0.530 3.493 ( 0.000 -0.323 0.000) 0.323 3.493 ( 0.000 0.323 0.000) 0.323 3.572 ( 0.000 -20.058 0.000) 20.058 3.572 ( 0.000 20.058 0.000) 20.058 3.770 ( 0.000 -13.946 0.000) 13.946 3.770 ( 0.000 13.946 0.000) 13.946 4.600 ( 0.000 -2.368 0.000) 2.368 4.600 ( 0.000 2.368 0.000) 2.368 5.162 ( 0.000 -2.473 0.000) 2.473 5.162 ( 0.000 2.473 0.000) 2.473 5.413 ( 0.000 -3.664 0.000) 3.664 5.413 ( 0.000 3.664 0.000) 3.664 5.675 ( 0.000 -5.419 0.000) 5.419 5.675 ( 0.000 5.419 0.000) 5.419 5.787 ( 0.000 -6.810 0.000) 6.810 5.787 ( 0.000 6.810 0.000) 6.810 6.085 ( 0.000 -10.488 0.000) 10.488 6.085 ( 0.000 10.488 0.000) 10.488 6.177 ( 0.000 -10.393 0.000) 10.393 6.177 ( 0.000 10.393 0.000) 10.393 6.421 ( 0.000 -7.178 0.000) 7.178 6.421 ( 0.000 7.178 0.000) 7.178 6.654 ( 0.000 -10.049 0.000) 10.049 6.654 ( 0.000 10.049 0.000) 10.049 7.903 ( 0.000 -8.584 0.000) 8.584 7.903 ( 0.000 8.584 0.000) 8.584 8.359 ( 0.000 -0.619 0.000) 0.619 8.359 ( 0.000 0.619 0.000) 0.619 8.832 ( 0.000 -10.505 0.000) 10.505 8.832 ( 0.000 10.505 0.000) 10.505 8.885 ( 0.000 -9.339 0.000) 9.339 8.885 ( 0.000 9.339 0.000) 9.339 10.088 ( 0.000 -1.281 0.000) 1.281 10.088 ( 0.000 1.281 0.000) 1.281 10.279 ( 0.000 -11.253 0.000) 11.253 10.279 ( 0.000 11.253 0.000) 11.253 10.759 ( 0.000 -6.058 0.000) 6.058 10.759 ( 0.000 6.058 0.000) 6.058 10.830 ( 0.000 -13.548 0.000) 13.548 10.830 ( 0.000 13.548 0.000) 13.548 11.055 ( 0.000 -7.133 0.000) 7.133 11.055 ( 0.000 7.133 0.000) 7.133 11.874 ( 0.000 -7.442 0.000) 7.442 11.874 ( 0.000 7.442 0.000) 7.442 12.615 ( 0.000 -0.639 0.000) 0.639 12.615 ( 0.000 0.639 0.000) 0.639 12.633 ( 0.000 -4.052 0.000) 4.052 12.633 ( 0.000 4.052 0.000) 4.052 12.730 ( 0.000 -3.618 0.000) 3.618 12.730 ( 0.000 3.618 0.000) 3.618 12.987 ( 0.000 -7.548 0.000) 7.548 12.987 ( 0.000 7.548 0.000) 7.548 18.770 ( 0.000 -4.885 0.000) 4.885 18.770 ( 0.000 4.885 0.000) 4.885 18.846 ( 0.000 -2.984 0.000) 2.984 18.846 ( 0.000 2.984 0.000) 2.984 20.547 ( 0.000 -11.653 0.000) 11.653 20.547 ( 0.000 11.653 0.000) 11.653 20.625 ( 0.000 -10.837 0.000) 10.837 20.625 ( 0.000 10.837 0.000) 10.837 20.907 ( 0.000 -3.380 0.000) 3.380 20.907 ( 0.000 3.380 0.000) 3.380 20.922 ( 0.000 -0.162 0.000) 0.162 20.922 ( 0.000 0.162 0.000) 0.162 21.318 ( 0.000 -2.196 0.000) 2.196 21.318 ( 0.000 2.196 0.000) 2.196 21.385 ( 0.000 -2.688 0.000) 2.688 21.385 ( 0.000 2.688 0.000) 2.688 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.260 -14.783 0.000) 14.786 1.627 ( 0.260 14.783 0.000) 14.786 1.817 ( -7.625 -1.845 0.000) 7.845 1.817 ( -7.625 1.845 0.000) 7.845 1.915 ( 6.339 -21.189 0.000) 22.117 1.915 ( 6.339 21.189 0.000) 22.117 2.334 ( -8.741 -12.215 0.000) 15.020 2.334 ( -8.741 12.215 0.000) 15.020 2.594 ( 8.288 -8.819 0.000) 12.102 2.594 ( 8.288 8.819 0.000) 12.102 2.778 ( -1.392 -4.513 0.000) 4.723 2.778 ( -1.392 4.513 0.000) 4.723 3.019 ( 6.660 -0.966 0.000) 6.730 3.019 ( 6.660 0.966 0.000) 6.730 3.187 ( -2.571 -0.532 0.000) 2.625 3.187 ( -2.571 0.532 0.000) 2.625 3.515 ( 1.722 -1.484 0.000) 2.273 3.515 ( 1.722 1.484 0.000) 2.273 3.603 ( 0.595 -8.055 0.000) 8.077 3.603 ( 0.595 8.055 0.000) 8.077 3.797 ( 4.961 -20.975 0.000) 21.554 3.797 ( 4.961 20.975 0.000) 21.554 4.396 ( -14.958 -15.167 0.000) 21.302 4.396 ( -14.958 15.167 0.000) 21.302 5.278 ( 7.157 -6.094 0.000) 9.400 5.278 ( 7.157 6.094 0.000) 9.400 5.400 ( -0.554 -5.130 0.000) 5.159 5.400 ( -0.554 5.130 0.000) 5.159 5.673 ( -0.557 -6.752 0.000) 6.775 5.673 ( -0.557 6.752 0.000) 6.775 5.721 ( -4.418 -4.067 0.000) 6.005 5.721 ( -4.418 4.067 0.000) 6.005 6.122 ( 2.374 -10.357 0.000) 10.625 6.122 ( 2.374 10.357 0.000) 10.625 6.178 ( -0.062 -10.239 0.000) 10.239 6.178 ( -0.062 10.239 0.000) 10.239 6.467 ( 3.625 -8.336 0.000) 9.090 6.467 ( 3.625 8.336 0.000) 9.090 6.627 ( -2.298 -9.867 0.000) 10.131 6.627 ( -2.298 9.867 0.000) 10.131 7.973 ( 5.849 -8.167 0.000) 10.046 7.973 ( 5.849 8.167 0.000) 10.046 8.294 ( -5.560 -4.665 0.000) 7.258 8.294 ( -5.560 4.665 0.000) 7.258 8.840 ( 0.680 -11.240 0.000) 11.261 8.840 ( 0.680 11.240 0.000) 11.261 8.877 ( -0.637 -11.275 0.000) 11.293 8.877 ( -0.637 11.275 0.000) 11.293 10.106 ( 1.668 -4.057 0.000) 4.387 10.106 ( 1.668 4.057 0.000) 4.387 10.240 ( -3.108 -9.872 0.000) 10.349 10.240 ( -3.108 9.872 0.000) 10.349 10.762 ( 0.186 -4.611 0.000) 4.615 10.762 ( 0.186 4.611 0.000) 4.615 10.790 ( -1.897 -5.811 0.000) 6.113 10.790 ( -1.897 5.811 0.000) 6.113 11.206 ( 11.209 -0.771 0.000) 11.236 11.206 ( 11.209 0.771 0.000) 11.236 11.761 ( -9.588 -6.088 0.000) 11.358 11.761 ( -9.588 6.088 0.000) 11.358 12.583 ( -1.632 -4.217 0.000) 4.521 12.583 ( -1.632 4.217 0.000) 4.521 12.603 ( -1.034 -1.383 0.000) 1.727 12.603 ( -1.034 1.383 0.000) 1.727 12.824 ( 5.246 -4.382 0.000) 6.835 12.824 ( 5.246 4.382 0.000) 6.835 12.972 ( -1.381 -7.031 0.000) 7.166 12.972 ( -1.381 7.031 0.000) 7.166 18.787 ( 1.329 -4.710 0.000) 4.894 18.787 ( 1.329 4.710 0.000) 4.894 18.840 ( -0.575 -3.315 0.000) 3.364 18.840 ( -0.575 3.315 0.000) 3.364 20.556 ( 0.782 -11.633 0.000) 11.659 20.556 ( 0.782 11.633 0.000) 11.659 20.611 ( -1.135 -11.043 0.000) 11.101 20.611 ( -1.135 11.043 0.000) 11.101 20.908 ( 0.073 -3.224 0.000) 3.225 20.908 ( 0.073 3.224 0.000) 3.225 20.918 ( -0.324 -1.532 0.000) 1.566 20.918 ( -0.324 1.532 0.000) 1.566 21.326 ( 0.722 -2.336 0.000) 2.445 21.326 ( 0.722 2.336 0.000) 2.445 21.373 ( -0.972 -2.759 0.000) 2.926 21.373 ( -0.972 2.759 0.000) 2.926 ======================= Grid point 24 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -4.339 -9.996 0.000) 10.897 1.673 ( 4.339 -9.996 0.000) 10.897 1.673 ( -4.339 9.996 0.000) 10.897 1.673 ( 4.339 9.996 0.000) 10.897 2.110 ( -10.258 -17.191 0.000) 20.019 2.110 ( 10.258 -17.191 0.000) 20.019 2.110 ( -10.258 17.191 0.000) 20.019 2.110 ( 10.258 17.191 0.000) 20.019 2.736 ( -3.639 -3.916 0.000) 5.346 2.736 ( 3.639 -3.916 0.000) 5.346 2.736 ( -3.639 3.916 0.000) 5.346 2.736 ( 3.639 3.916 0.000) 5.346 3.126 ( -3.078 -0.582 0.000) 3.133 3.126 ( -3.078 0.582 0.000) 3.133 3.126 ( 3.078 -0.582 0.000) 3.133 3.126 ( 3.078 0.582 0.000) 3.133 3.564 ( -2.655 -1.016 0.000) 2.843 3.564 ( -2.655 1.016 0.000) 2.843 3.564 ( 2.655 -1.016 0.000) 2.843 3.564 ( 2.655 1.016 0.000) 2.843 4.041 ( -15.204 -22.626 0.000) 27.260 4.041 ( 15.204 -22.626 0.000) 27.260 4.041 ( -15.204 22.626 0.000) 27.260 4.041 ( 15.204 22.626 0.000) 27.260 5.386 ( -1.867 -6.602 0.000) 6.861 5.386 ( 1.867 -6.602 0.000) 6.861 5.386 ( -1.867 6.602 0.000) 6.861 5.386 ( 1.867 6.602 0.000) 6.861 5.659 ( -0.359 -4.447 0.000) 4.461 5.659 ( 0.359 -4.447 0.000) 4.461 5.659 ( -0.359 4.447 0.000) 4.461 5.659 ( 0.359 4.447 0.000) 4.461 6.165 ( -1.261 -10.211 0.000) 10.289 6.165 ( 1.261 -10.211 0.000) 10.289 6.165 ( -1.261 10.211 0.000) 10.289 6.165 ( 1.261 10.211 0.000) 10.289 6.556 ( -3.913 -9.457 0.000) 10.234 6.556 ( 3.913 -9.457 0.000) 10.234 6.556 ( -3.913 9.457 0.000) 10.234 6.556 ( 3.913 9.457 0.000) 10.234 8.135 ( -7.937 -6.972 0.000) 10.564 8.135 ( 7.937 -6.972 0.000) 10.564 8.135 ( -7.937 6.972 0.000) 10.564 8.135 ( 7.937 6.972 0.000) 10.564 8.859 ( -0.896 -12.216 0.000) 12.249 8.859 ( 0.896 -12.216 0.000) 12.249 8.859 ( -0.896 12.216 0.000) 12.249 8.859 ( 0.896 12.216 0.000) 12.249 10.163 ( -3.286 -7.189 0.000) 7.904 10.163 ( 3.286 -7.189 0.000) 7.904 10.163 ( -3.286 7.189 0.000) 7.904 10.163 ( 3.286 7.189 0.000) 7.904 10.767 ( -0.371 -1.674 0.000) 1.714 10.767 ( 0.371 -1.674 0.000) 1.714 10.767 ( -0.371 1.674 0.000) 1.714 10.767 ( 0.371 1.674 0.000) 1.714 11.491 ( -13.451 -3.337 0.000) 13.859 11.491 ( -13.451 3.337 0.000) 13.859 11.491 ( 13.451 -3.337 0.000) 13.859 11.491 ( 13.451 3.337 0.000) 13.859 12.578 ( -0.831 -2.998 0.000) 3.111 12.578 ( 0.831 -2.998 0.000) 3.111 12.578 ( -0.831 2.998 0.000) 3.111 12.578 ( 0.831 2.998 0.000) 3.111 12.921 ( -3.304 -5.751 0.000) 6.633 12.921 ( 3.304 -5.751 0.000) 6.633 12.921 ( -3.304 5.751 0.000) 6.633 12.921 ( 3.304 5.751 0.000) 6.633 18.819 ( -1.316 -4.084 0.000) 4.291 18.819 ( 1.316 -4.084 0.000) 4.291 18.819 ( -1.316 4.084 0.000) 4.291 18.819 ( 1.316 4.084 0.000) 4.291 20.581 ( -1.403 -11.432 0.000) 11.518 20.581 ( 1.403 -11.432 0.000) 11.518 20.581 ( -1.403 11.432 0.000) 11.518 20.581 ( 1.403 11.432 0.000) 11.518 20.911 ( -0.242 -2.659 0.000) 2.669 20.911 ( 0.242 -2.659 0.000) 2.669 20.911 ( -0.242 2.659 0.000) 2.669 20.911 ( 0.242 2.659 0.000) 2.669 21.348 ( -1.152 -2.634 0.000) 2.875 21.348 ( 1.152 -2.634 0.000) 2.875 21.348 ( -1.152 2.634 0.000) 2.875 21.348 ( 1.152 2.634 0.000) 2.875 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 0.000 23.689) 23.689 0.516 ( 0.000 0.000 26.612) 26.612 1.058 ( 0.000 0.000 2.669) 2.669 1.093 ( 0.000 0.000 55.904) 55.904 1.819 ( 0.000 0.000 -3.244) 3.244 2.081 ( 0.000 0.000 3.084) 3.084 2.106 ( 0.000 0.000 1.572) 1.572 2.106 ( 0.000 0.000 8.019) 8.019 2.219 ( 0.000 0.000 -12.475) 12.475 2.622 ( 0.000 0.000 -5.081) 5.081 2.710 ( 0.000 0.000 -0.331) 0.331 2.788 ( 0.000 0.000 -8.591) 8.591 2.844 ( 0.000 0.000 3.506) 3.506 2.852 ( 0.000 0.000 -2.522) 2.522 3.056 ( 0.000 0.000 -3.233) 3.233 3.232 ( 0.000 0.000 1.259) 1.259 3.243 ( 0.000 0.000 0.021) 0.021 3.351 ( 0.000 0.000 6.000) 6.000 3.429 ( 0.000 0.000 8.669) 8.669 3.439 ( 0.000 0.000 -2.812) 2.812 3.670 ( 0.000 0.000 -4.586) 4.586 4.218 ( 0.000 0.000 6.060) 6.060 4.250 ( 0.000 0.000 -4.920) 4.920 4.845 ( 0.000 0.000 8.270) 8.270 4.866 ( 0.000 0.000 -17.345) 17.345 5.191 ( 0.000 0.000 -6.192) 6.192 5.236 ( 0.000 0.000 -1.146) 1.146 5.295 ( 0.000 0.000 3.416) 3.416 5.477 ( 0.000 0.000 -2.656) 2.656 5.544 ( 0.000 0.000 -3.016) 3.016 5.578 ( 0.000 0.000 -3.663) 3.663 5.739 ( 0.000 0.000 -4.922) 4.922 5.960 ( 0.000 0.000 -0.983) 0.983 6.107 ( 0.000 0.000 10.024) 10.024 6.109 ( 0.000 0.000 0.543) 0.543 6.429 ( 0.000 0.000 7.412) 7.412 6.717 ( 0.000 0.000 -3.103) 3.103 6.767 ( 0.000 0.000 -2.348) 2.348 7.063 ( 0.000 0.000 1.226) 1.226 7.389 ( 0.000 0.000 -3.414) 3.414 7.561 ( 0.000 0.000 2.335) 2.335 7.877 ( 0.000 0.000 -0.273) 0.273 8.253 ( 0.000 0.000 3.230) 3.230 8.268 ( 0.000 0.000 2.742) 2.742 8.517 ( 0.000 0.000 -7.297) 7.297 8.903 ( 0.000 0.000 -13.485) 13.485 8.906 ( 0.000 0.000 -5.259) 5.259 9.631 ( 0.000 0.000 -14.417) 14.417 9.742 ( 0.000 0.000 -0.104) 0.104 9.943 ( 0.000 0.000 -4.620) 4.620 10.037 ( 0.000 0.000 4.684) 4.684 10.109 ( 0.000 0.000 6.888) 6.888 10.158 ( 0.000 0.000 5.871) 5.871 10.325 ( 0.000 0.000 9.528) 9.528 10.721 ( 0.000 0.000 3.703) 3.703 11.200 ( 0.000 0.000 -13.535) 13.535 11.248 ( 0.000 0.000 5.943) 5.943 11.394 ( 0.000 0.000 3.071) 3.071 11.482 ( 0.000 0.000 -7.004) 7.004 11.918 ( 0.000 0.000 -26.435) 26.435 11.938 ( 0.000 0.000 10.367) 10.367 12.304 ( 0.000 0.000 -1.997) 1.997 12.637 ( 0.000 0.000 -0.936) 0.936 12.704 ( 0.000 0.000 -2.456) 2.456 12.916 ( 0.000 0.000 19.910) 19.910 12.962 ( 0.000 0.000 6.986) 6.986 13.291 ( 0.000 0.000 4.116) 4.116 14.323 ( 0.000 0.000 -2.258) 2.258 18.636 ( 0.000 0.000 1.728) 1.728 18.797 ( 0.000 0.000 2.249) 2.249 19.162 ( 0.000 0.000 1.317) 1.317 19.179 ( 0.000 0.000 1.451) 1.451 19.274 ( 0.000 0.000 -1.113) 1.113 19.695 ( 0.000 0.000 -1.636) 1.636 19.746 ( 0.000 0.000 -1.777) 1.777 20.460 ( 0.000 0.000 -9.943) 9.943 20.894 ( 0.000 0.000 -0.930) 0.930 20.900 ( 0.000 0.000 0.538) 0.538 20.980 ( 0.000 0.000 1.205) 1.205 21.015 ( 0.000 0.000 1.091) 1.091 21.353 ( 0.000 0.000 7.534) 7.534 21.446 ( 0.000 0.000 -0.626) 0.626 21.654 ( 0.000 0.000 9.306) 9.306 22.834 ( 0.000 0.000 -2.723) 2.723 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 14.350 0.000 15.402) 21.051 0.755 ( 18.132 0.000 16.935) 24.811 1.077 ( 0.114 0.000 3.831) 3.832 1.478 ( 25.796 0.000 38.872) 46.653 1.721 ( -17.285 0.000 4.601) 17.887 1.773 ( -3.866 0.000 -2.721) 4.728 1.832 ( -9.338 0.000 2.157) 9.584 2.359 ( 10.667 0.000 1.491) 10.770 2.503 ( 6.267 0.000 -6.134) 8.769 2.627 ( -0.529 0.000 -3.569) 3.608 2.682 ( -1.011 0.000 -2.025) 2.263 2.785 ( -2.745 0.000 0.233) 2.755 2.812 ( 2.469 0.000 -1.277) 2.780 2.821 ( -3.002 0.000 -1.139) 3.210 2.983 ( -5.772 0.000 0.461) 5.790 3.185 ( -8.448 0.000 -0.084) 8.449 3.279 ( 4.148 0.000 -0.725) 4.211 3.373 ( 4.993 0.000 3.335) 6.004 3.474 ( 3.022 0.000 -3.521) 4.640 3.523 ( 3.039 0.000 6.643) 7.305 3.639 ( -2.688 0.000 -4.558) 5.292 3.733 ( -18.582 0.000 3.173) 18.851 4.696 ( 16.899 0.000 -7.645) 18.548 4.871 ( 0.763 0.000 -14.833) 14.852 4.928 ( 6.927 0.000 7.116) 9.931 5.094 ( -6.891 0.000 -7.736) 10.360 5.175 ( -5.313 0.000 -5.643) 7.751 5.261 ( -3.752 0.000 3.202) 4.933 5.467 ( -0.660 0.000 -1.806) 1.923 5.507 ( -2.432 0.000 -0.993) 2.627 5.714 ( 10.394 0.000 2.827) 10.772 5.962 ( 11.422 0.000 -10.888) 15.781 5.986 ( 2.144 0.000 -2.143) 3.031 6.092 ( -1.521 0.000 -0.618) 1.642 6.095 ( -1.915 0.000 11.070) 11.234 6.339 ( -7.488 0.000 4.698) 8.840 6.724 ( 0.675 0.000 -2.766) 2.847 6.762 ( -0.450 0.000 -2.071) 2.119 7.058 ( -0.048 0.000 2.342) 2.342 7.190 ( -8.909 0.000 5.031) 10.231 7.602 ( 8.145 0.000 4.684) 9.396 7.901 ( 2.209 0.000 -0.219) 2.220 8.123 ( -7.522 0.000 0.719) 7.556 8.142 ( -10.800 0.000 3.050) 11.222 8.709 ( 12.917 0.000 -4.930) 13.826 8.909 ( 1.395 0.000 -7.765) 7.889 8.968 ( 0.606 0.000 -11.026) 11.043 9.362 ( -14.941 0.000 -6.113) 16.143 9.890 ( 4.396 0.000 -8.831) 9.865 9.957 ( 0.660 0.000 -6.184) 6.219 10.089 ( 1.037 0.000 7.732) 7.801 10.102 ( -0.187 0.000 8.270) 8.272 10.237 ( 7.534 0.000 7.617) 10.714 10.640 ( -6.721 0.000 4.329) 7.995 10.919 ( 29.338 0.000 -24.724) 38.367 11.280 ( 2.452 0.000 5.334) 5.870 11.325 ( 10.716 0.000 -21.873) 24.357 11.379 ( -1.299 0.000 3.405) 3.644 11.459 ( -1.871 0.000 -7.982) 8.198 11.863 ( -5.040 0.000 -26.205) 26.686 11.943 ( 0.633 0.000 8.266) 8.290 12.174 ( -9.489 0.000 1.280) 9.575 12.647 ( 0.863 0.000 -1.178) 1.460 12.694 ( -0.795 0.000 -2.251) 2.387 12.955 ( 3.700 0.000 21.157) 21.478 13.049 ( 6.293 0.000 6.848) 9.300 13.254 ( -3.455 0.000 4.539) 5.704 13.620 ( -32.564 0.000 36.136) 48.644 18.659 ( 2.001 0.000 1.830) 2.711 18.775 ( -2.036 0.000 2.372) 3.126 19.164 ( 0.204 0.000 1.336) 1.351 19.176 ( -0.231 0.000 1.431) 1.449 19.703 ( 0.651 0.000 -1.656) 1.780 19.739 ( -0.615 0.000 -1.756) 1.861 19.832 ( 26.991 0.000 -29.329) 39.859 20.412 ( -4.460 0.000 -12.817) 13.571 20.894 ( 0.018 0.000 -0.941) 0.941 20.899 ( -0.124 0.000 -0.021) 0.126 20.985 ( 0.493 0.000 1.156) 1.257 21.011 ( -0.368 0.000 0.965) 1.032 21.366 ( 1.260 0.000 7.262) 7.370 21.438 ( -0.871 0.000 0.946) 1.286 21.678 ( 2.432 0.000 11.686) 11.936 22.197 ( -29.325 0.000 30.654) 42.422 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -10.891 0.000 8.097) 13.571 0.965 ( 10.891 0.000 8.097) 13.571 1.212 ( -21.596 0.000 8.846) 23.337 1.212 ( 21.596 0.000 8.846) 23.337 1.718 ( -1.363 0.000 -0.469) 1.442 1.718 ( 1.363 0.000 -0.469) 1.442 2.197 ( -28.082 0.000 20.510) 34.774 2.197 ( 28.082 0.000 20.510) 34.774 2.549 ( -6.027 0.000 -0.953) 6.102 2.549 ( 6.027 0.000 -0.953) 6.102 2.729 ( -4.292 0.000 -1.439) 4.526 2.729 ( 4.292 0.000 -1.439) 4.526 2.829 ( -5.046 0.000 -5.113) 7.184 2.829 ( 5.046 0.000 -5.113) 7.184 2.985 ( -9.211 0.000 -1.762) 9.378 2.985 ( 9.211 0.000 -1.762) 9.378 3.397 ( -5.501 0.000 1.733) 5.768 3.397 ( 5.501 0.000 1.733) 5.768 3.529 ( -1.512 0.000 3.698) 3.995 3.529 ( 1.512 0.000 3.698) 3.995 3.559 ( -4.123 0.000 -4.324) 5.975 3.559 ( 4.123 0.000 -4.324) 5.975 4.927 ( -6.645 0.000 -11.444) 13.233 4.927 ( 6.645 0.000 -11.444) 13.233 5.011 ( -9.563 0.000 -9.230) 13.291 5.011 ( 9.563 0.000 -9.230) 13.291 5.115 ( -8.624 0.000 4.547) 9.749 5.115 ( 8.624 0.000 4.547) 9.749 5.468 ( -0.956 0.000 -0.179) 0.973 5.468 ( 0.956 0.000 -0.179) 0.973 5.965 ( -10.146 0.000 10.844) 14.850 5.965 ( 10.146 0.000 10.844) 14.850 6.043 ( -2.678 0.000 -2.402) 3.598 6.043 ( 2.678 0.000 -2.402) 3.598 6.160 ( -7.542 0.000 -3.572) 8.346 6.160 ( 7.542 0.000 -3.572) 8.346 6.745 ( -1.037 0.000 -2.103) 2.345 6.745 ( 1.038 0.000 -2.103) 2.345 7.081 ( -2.367 0.000 2.600) 3.516 7.081 ( 2.367 0.000 2.600) 3.516 7.855 ( -13.384 0.000 3.573) 13.853 7.855 ( 13.384 0.000 3.573) 13.853 7.980 ( -4.978 0.000 -0.014) 4.978 7.980 ( 4.978 0.000 -0.014) 4.978 8.948 ( -1.750 0.000 -8.302) 8.484 8.948 ( 1.750 0.000 -8.302) 8.484 9.025 ( -14.981 0.000 -4.731) 15.710 9.025 ( 14.981 0.000 -4.731) 15.710 9.947 ( -1.476 0.000 -7.788) 7.926 9.947 ( 1.476 0.000 -7.788) 7.926 10.100 ( -0.152 0.000 8.179) 8.180 10.100 ( 0.152 0.000 8.179) 8.180 10.448 ( -9.908 0.000 5.837) 11.499 10.448 ( 9.908 0.000 5.837) 11.499 11.314 ( -9.590 0.000 -13.507) 16.565 11.314 ( 9.590 0.000 -13.507) 16.565 11.338 ( -2.388 0.000 4.269) 4.891 11.338 ( 2.388 0.000 4.269) 4.891 11.663 ( -13.326 0.000 -30.400) 33.193 11.663 ( 13.326 0.000 -30.400) 33.193 11.994 ( -4.947 0.000 6.887) 8.480 11.994 ( 4.947 0.000 6.887) 8.480 12.671 ( -1.172 0.000 -1.733) 2.092 12.671 ( 1.172 0.000 -1.733) 2.092 13.101 ( -9.319 0.000 20.820) 22.811 13.101 ( 9.319 0.000 20.820) 22.811 13.204 ( -7.865 0.000 13.895) 15.967 13.204 ( 7.865 0.000 13.895) 15.967 18.716 ( -2.891 0.000 2.132) 3.592 18.716 ( 2.891 0.000 2.132) 3.592 19.170 ( -0.306 0.000 1.382) 1.416 19.170 ( 0.306 0.000 1.382) 1.416 19.721 ( -0.894 0.000 -1.706) 1.926 19.721 ( 0.894 0.000 -1.706) 1.926 20.242 ( -11.585 0.000 -21.553) 24.469 20.242 ( 11.585 0.000 -21.553) 24.469 20.896 ( -0.118 0.000 -0.758) 0.767 20.896 ( 0.118 0.000 -0.758) 0.767 20.999 ( -0.667 0.000 0.947) 1.159 20.999 ( 0.667 0.000 0.947) 1.159 21.405 ( -1.930 0.000 4.991) 5.351 21.405 ( 1.930 0.000 4.991) 5.351 21.795 ( -9.419 0.000 20.742) 22.780 21.795 ( 9.419 0.000 20.742) 22.780 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 14.040 20.024) 24.455 0.741 ( 0.000 17.122 20.361) 26.603 1.209 ( 0.000 14.362 2.331) 14.549 1.374 ( 0.000 29.456 38.181) 48.223 1.889 ( 0.000 6.902 -2.710) 7.415 2.062 ( 0.000 -1.735 -4.815) 5.118 2.082 ( 0.000 0.463 4.262) 4.287 2.109 ( 0.000 0.456 7.807) 7.821 2.332 ( 0.000 7.678 -2.316) 8.020 2.645 ( 0.000 0.709 -7.677) 7.709 2.768 ( 0.000 -3.618 -2.834) 4.596 2.772 ( 0.000 4.854 -6.540) 8.144 2.859 ( 0.000 8.075 -1.290) 8.177 2.940 ( 0.000 5.862 4.063) 7.132 3.051 ( 0.000 -0.893 -7.067) 7.123 3.210 ( 0.000 -2.297 2.258) 3.220 3.222 ( 0.000 -2.124 -0.274) 2.142 3.342 ( 0.000 -0.314 3.982) 3.994 3.382 ( 0.000 -3.353 3.645) 4.953 3.500 ( 0.000 2.882 0.734) 2.974 3.581 ( 0.000 -6.949 -2.846) 7.509 4.250 ( 0.000 0.743 -4.126) 4.193 4.316 ( 0.000 8.332 5.123) 9.781 4.839 ( 0.000 -3.470 -14.403) 14.815 4.955 ( 0.000 10.455 4.272) 11.294 5.185 ( 0.000 -4.231 -1.156) 4.386 5.226 ( 0.000 2.736 -4.343) 5.133 5.365 ( 0.000 5.022 2.520) 5.619 5.470 ( 0.000 -0.776 -2.468) 2.587 5.532 ( 0.000 0.076 -3.448) 3.449 5.591 ( 0.000 2.255 -3.920) 4.523 5.720 ( 0.000 -1.707 -4.664) 4.967 6.050 ( 0.000 -2.650 4.766) 5.453 6.102 ( 0.000 9.942 -3.680) 10.601 6.177 ( 0.000 3.533 4.052) 5.376 6.305 ( 0.000 -10.867 9.427) 14.386 6.675 ( 0.000 -4.319 -2.446) 4.964 6.710 ( 0.000 -5.478 -1.836) 5.777 7.045 ( 0.000 -1.973 1.418) 2.430 7.132 ( 0.000 -16.631 11.684) 20.325 7.512 ( 0.000 2.148 2.183) 3.063 7.921 ( 0.000 4.307 -0.314) 4.318 8.280 ( 0.000 1.200 2.344) 2.634 8.298 ( 0.000 3.796 3.359) 5.069 8.451 ( 0.000 -5.845 -12.077) 13.417 8.913 ( 0.000 0.264 -5.191) 5.197 8.920 ( 0.000 1.454 -5.279) 5.475 9.481 ( 0.000 -12.811 -10.325) 16.454 9.746 ( 0.000 1.372 -2.153) 2.553 10.078 ( 0.000 4.071 2.811) 4.947 10.156 ( 0.000 0.258 4.713) 4.720 10.165 ( 0.000 3.735 -5.423) 6.585 10.417 ( 0.000 8.771 10.496) 13.678 10.461 ( 0.000 17.371 -14.366) 22.542 10.828 ( 0.000 11.031 -12.152) 16.411 11.207 ( 0.000 -4.114 5.849) 7.151 11.214 ( 0.000 2.124 -11.106) 11.307 11.366 ( 0.000 -2.679 1.369) 3.009 11.510 ( 0.000 6.514 -12.049) 13.697 11.912 ( 0.000 -2.529 10.120) 10.432 11.966 ( 0.000 4.630 -23.902) 24.347 12.276 ( 0.000 -2.836 -2.823) 4.002 12.631 ( 0.000 -0.747 -1.496) 1.673 12.700 ( 0.000 -0.527 -2.879) 2.927 12.923 ( 0.000 0.551 19.047) 19.055 12.954 ( 0.000 -0.778 7.181) 7.223 13.280 ( 0.000 -1.071 4.504) 4.629 13.696 ( 0.000 -35.889 36.032) 50.856 18.641 ( 0.000 0.654 1.591) 1.720 18.796 ( 0.000 0.030 2.322) 2.322 19.131 ( 0.000 -4.480 1.542) 4.738 19.180 ( 0.000 -7.915 -0.793) 7.954 19.781 ( 0.000 8.649 -1.922) 8.860 19.814 ( 0.000 39.797 -33.891) 52.272 19.870 ( 0.000 11.067 -2.059) 11.257 20.510 ( 0.000 4.713 -9.913) 10.976 20.886 ( 0.000 -0.904 -0.793) 1.203 20.902 ( 0.000 0.126 0.348) 0.370 20.968 ( 0.000 -1.317 1.095) 1.713 21.010 ( 0.000 -0.634 0.866) 1.073 21.348 ( 0.000 -0.389 7.479) 7.489 21.442 ( 0.000 -0.385 -0.002) 0.385 21.631 ( 0.000 -2.329 8.932) 9.231 22.306 ( 0.000 -34.006 28.238) 44.201 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 11.461 11.632 15.283) 22.366 0.909 ( 13.432 13.019 15.988) 24.608 1.218 ( -0.502 13.525 3.537) 13.989 1.658 ( 14.298 16.041 23.735) 32.017 1.705 ( -17.748 0.825 0.193) 17.768 1.860 ( -7.945 3.411 4.056) 9.550 1.908 ( 3.478 12.878 7.284) 15.199 2.359 ( 10.439 0.041 1.165) 10.504 2.565 ( 10.638 3.205 -4.055) 11.827 2.644 ( 0.030 2.027 -7.186) 7.467 2.716 ( -3.277 -3.953 -1.441) 5.333 2.789 ( -0.137 8.752 -3.540) 9.441 2.840 ( 0.232 4.584 -3.930) 6.042 2.889 ( -4.801 5.776 6.094) 9.672 3.021 ( -2.806 1.796 -5.391) 6.338 3.183 ( -9.203 1.450 2.543) 9.657 3.250 ( 4.432 -1.896 0.186) 4.824 3.329 ( 3.852 -4.573 3.242) 6.802 3.402 ( 1.935 -6.345 1.872) 6.893 3.548 ( -1.520 -2.951 -1.858) 3.804 3.576 ( 1.535 0.093 1.321) 2.027 3.791 ( -18.694 4.443 1.964) 19.315 4.703 ( 14.761 0.500 -4.817) 15.535 4.825 ( 0.424 -3.732 -12.521) 13.072 5.045 ( 6.899 9.818 0.907) 12.034 5.090 ( -7.126 -1.905 -2.322) 7.733 5.178 ( -4.639 3.179 -4.882) 7.447 5.352 ( -1.989 7.443 2.488) 8.097 5.450 ( -1.338 -1.744 -2.424) 3.272 5.502 ( -2.116 0.448 -1.584) 2.681 5.684 ( 7.647 -2.709 0.399) 8.122 5.836 ( 7.066 -5.632 -7.795) 11.934 6.024 ( -1.524 -2.642 6.468) 7.151 6.132 ( 1.271 6.999 1.139) 7.204 6.187 ( 0.526 4.836 2.083) 5.292 6.257 ( -4.252 -7.339 2.085) 8.734 6.680 ( 0.593 -4.516 -1.984) 4.968 6.712 ( -0.170 -4.970 -1.418) 5.171 7.033 ( -0.553 -3.163 4.037) 5.158 7.086 ( -2.444 -8.007 5.821) 10.196 7.610 ( 8.362 1.720 2.089) 8.789 7.955 ( 2.368 4.857 -1.011) 5.497 8.124 ( -9.070 0.943 2.839) 9.551 8.213 ( -8.419 5.956 -1.131) 10.374 8.576 ( 8.500 -9.494 -6.580) 14.342 8.876 ( -3.142 -7.285 -5.408) 9.602 9.007 ( 5.909 6.477 -5.333) 10.262 9.347 ( -8.359 -2.955 -7.374) 11.532 9.833 ( 4.887 -3.223 -4.891) 7.629 10.007 ( -4.684 5.408 -5.193) 8.840 10.105 ( -1.110 0.515 6.444) 6.559 10.130 ( -1.675 0.906 3.279) 3.792 10.413 ( 4.129 13.954 3.007) 14.859 10.607 ( -0.324 -0.199 5.681) 5.694 11.004 ( 11.615 0.582 -15.540) 19.410 11.218 ( 0.690 -6.563 2.990) 7.245 11.303 ( 4.793 -0.332 -3.976) 6.236 11.419 ( 5.421 -0.759 -8.804) 10.366 11.521 ( 2.693 12.115 -18.567) 22.333 11.886 ( -3.171 -1.038 -2.946) 4.451 11.943 ( -0.978 3.058 -12.123) 12.541 12.149 ( -9.292 -2.162 -0.210) 9.542 12.641 ( 0.830 -0.764 -1.653) 2.001 12.687 ( -0.924 -0.882 -2.519) 2.824 12.957 ( 3.286 0.253 20.439) 20.703 13.039 ( 6.117 -0.919 6.528) 8.994 13.243 ( -3.657 -1.214 5.626) 6.819 13.412 ( -16.683 -15.046 35.394) 41.922 18.665 ( 1.988 0.629 1.746) 2.720 18.775 ( -1.850 0.163 2.367) 3.009 19.132 ( 0.105 -4.279 1.468) 4.525 19.153 ( -1.224 -4.305 0.454) 4.498 19.786 ( 0.413 8.525 -2.005) 8.767 19.811 ( -0.439 11.167 -5.377) 12.402 20.094 ( 13.854 19.300 -27.702) 36.494 20.472 ( -3.521 5.566 -12.454) 14.088 20.887 ( 0.095 -0.816 -0.795) 1.143 20.898 ( -0.296 -0.146 -0.101) 0.345 20.975 ( 0.618 -1.103 1.017) 1.622 21.005 ( -0.416 -0.687 0.752) 1.100 21.362 ( 1.233 -0.416 7.246) 7.362 21.433 ( -0.922 -0.452 1.463) 1.788 21.651 ( 2.015 -2.705 11.088) 11.590 22.012 ( -17.008 -15.181 29.722) 37.458 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -11.586 10.245 9.006) 17.897 1.081 ( 11.586 10.245 9.006) 17.897 1.281 ( -18.257 7.529 7.210) 21.024 1.281 ( 18.257 7.529 7.210) 21.024 1.734 ( -1.988 2.214 3.080) 4.283 1.734 ( 1.988 2.214 3.080) 4.283 2.346 ( -19.643 13.588 13.282) 27.329 2.346 ( 19.643 13.588 13.282) 27.329 2.600 ( -3.139 0.412 -2.244) 3.881 2.600 ( 3.139 0.412 -2.244) 3.881 2.745 ( -2.467 7.809 -0.494) 8.204 2.745 ( 2.467 7.809 -0.494) 8.204 2.888 ( -4.405 1.590 -6.077) 7.672 2.888 ( 4.405 1.590 -6.077) 7.672 2.964 ( -5.798 0.951 0.354) 5.886 2.964 ( 5.798 0.951 0.354) 5.886 3.376 ( -4.207 -2.389 2.793) 5.586 3.376 ( 4.207 -2.389 2.793) 5.586 3.439 ( -2.192 -6.272 -0.028) 6.644 3.439 ( 2.192 -6.272 -0.028) 6.644 3.595 ( -1.125 1.663 -0.339) 2.036 3.595 ( 1.125 1.663 -0.339) 2.036 4.885 ( -4.058 -6.068 -10.199) 12.542 4.885 ( 4.058 -6.068 -10.199) 12.542 5.013 ( -6.931 3.748 -4.421) 9.035 5.013 ( 6.931 3.748 -4.421) 9.035 5.235 ( -7.670 9.916 1.150) 12.589 5.235 ( 7.670 9.916 1.150) 12.589 5.457 ( -1.629 -0.918 -1.045) 2.142 5.457 ( 1.629 -0.918 -1.045) 2.142 5.859 ( -5.851 -6.995 -0.448) 9.130 5.859 ( 5.851 -6.995 -0.448) 9.130 6.078 ( -6.221 -1.116 8.887) 10.905 6.078 ( 6.221 -1.116 8.887) 10.905 6.192 ( -0.583 4.022 -5.306) 6.684 6.192 ( 0.583 4.022 -5.306) 6.684 6.699 ( -0.888 -4.631 -1.296) 4.891 6.699 ( 0.888 -4.631 -1.296) 4.891 7.043 ( -1.406 -3.892 3.401) 5.357 7.043 ( 1.406 -3.892 3.401) 5.357 7.853 ( -12.245 0.450 1.759) 12.379 7.853 ( 12.245 0.450 1.759) 12.379 8.054 ( -4.896 6.688 -0.651) 8.314 8.054 ( 4.896 6.688 -0.651) 8.314 8.758 ( -7.156 -11.184 -4.998) 14.186 8.758 ( 7.156 -11.184 -4.998) 14.186 9.164 ( -7.861 5.884 -6.213) 11.620 9.164 ( 7.861 5.884 -6.213) 11.620 9.924 ( -3.378 -1.226 -5.219) 6.337 9.924 ( 3.378 -1.226 -5.219) 6.337 10.101 ( -0.654 0.351 4.780) 4.838 10.101 ( 0.654 0.351 4.780) 4.838 10.527 ( -5.240 7.361 4.861) 10.260 10.527 ( 5.240 7.361 4.861) 10.260 11.180 ( -4.418 -9.266 -0.698) 10.289 11.180 ( 4.418 -9.266 -0.698) 10.289 11.409 ( -4.439 2.201 -6.515) 8.185 11.409 ( 4.439 2.201 -6.515) 8.185 11.733 ( -10.686 6.211 -25.060) 27.942 11.733 ( 10.686 6.211 -25.060) 27.942 11.973 ( -4.550 -1.182 3.426) 5.817 11.973 ( 4.550 -1.182 3.426) 5.817 12.663 ( -1.110 -0.906 -2.053) 2.504 12.663 ( 1.110 -0.906 -2.053) 2.504 13.082 ( -8.106 -1.704 23.051) 24.494 13.082 ( 8.106 -1.704 23.051) 24.494 13.180 ( -6.080 -1.924 9.608) 11.531 13.180 ( 6.080 -1.924 9.608) 11.531 18.721 ( -2.768 0.487 2.105) 3.511 18.721 ( 2.768 0.487 2.105) 3.511 19.137 ( -0.380 -3.881 1.208) 4.082 19.137 ( 0.380 -3.881 1.208) 4.082 19.798 ( -0.633 8.598 -2.486) 8.973 19.798 ( 0.633 8.598 -2.486) 8.973 20.344 ( -8.214 9.109 -19.988) 23.451 20.344 ( 8.214 9.109 -19.988) 23.451 20.891 ( -0.267 -0.557 -0.656) 0.901 20.891 ( 0.267 -0.557 -0.656) 0.901 20.991 ( -0.755 -0.830 0.757) 1.354 20.991 ( 0.755 -0.830 0.757) 1.354 21.400 ( -1.914 -0.499 5.217) 5.579 21.400 ( 1.914 -0.499 5.217) 5.579 21.744 ( -7.168 -4.899 19.013) 20.902 21.744 ( 7.168 -4.899 19.013) 20.902 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.000 19.077 12.335) 22.718 1.053 ( 0.000 17.712 17.106) 24.624 1.526 ( 0.000 17.119 1.397) 17.176 1.894 ( 0.000 11.395 4.769) 12.352 2.007 ( 0.000 0.528 -5.917) 5.940 2.089 ( 0.000 1.039 4.872) 4.981 2.169 ( 0.000 6.228 6.619) 9.088 2.208 ( 0.000 28.457 15.169) 32.248 2.451 ( 0.000 5.255 3.732) 6.445 2.563 ( 0.000 -9.684 -6.631) 11.737 2.746 ( 0.000 2.513 -4.370) 5.041 2.900 ( 0.000 6.368 -8.478) 10.603 2.930 ( 0.000 -7.569 -1.339) 7.687 2.978 ( 0.000 1.568 -1.348) 2.068 3.102 ( 0.000 2.561 -3.736) 4.529 3.157 ( 0.000 -1.785 4.070) 4.444 3.178 ( 0.000 -2.163 0.141) 2.168 3.300 ( 0.000 -1.211 -1.739) 2.119 3.397 ( 0.000 5.640 -1.277) 5.782 3.487 ( 0.000 -0.870 1.558) 1.785 3.584 ( 0.000 5.805 5.580) 8.052 4.305 ( 0.000 5.488 -3.130) 6.318 4.468 ( 0.000 6.485 2.379) 6.907 4.688 ( 0.000 -13.481 -4.026) 14.069 5.132 ( 0.000 -0.421 -1.539) 1.596 5.203 ( 0.000 14.534 -3.338) 14.912 5.248 ( 0.000 -1.014 -4.019) 4.145 5.374 ( 0.000 -2.132 -6.107) 6.469 5.451 ( 0.000 -0.864 2.348) 2.502 5.599 ( 0.000 1.453 -0.822) 1.670 5.670 ( 0.000 5.177 -4.862) 7.103 5.728 ( 0.000 6.454 -3.535) 7.359 5.995 ( 0.000 -3.464 2.070) 4.035 6.091 ( 0.000 -10.281 2.471) 10.574 6.234 ( 0.000 2.225 2.988) 3.725 6.263 ( 0.000 6.903 2.060) 7.203 6.563 ( 0.000 -6.964 0.227) 6.968 6.582 ( 0.000 -7.363 -0.921) 7.420 6.898 ( 0.000 -9.744 11.555) 15.115 6.982 ( 0.000 -4.824 1.873) 5.175 7.580 ( 0.000 4.424 -2.449) 5.057 8.010 ( 0.000 3.102 -1.285) 3.358 8.297 ( 0.000 -0.274 -4.770) 4.778 8.366 ( 0.000 -0.143 -10.690) 10.691 8.370 ( 0.000 3.126 3.354) 4.585 8.906 ( 0.000 -0.373 5.894) 5.906 8.956 ( 0.000 1.654 -5.432) 5.678 9.222 ( 0.000 -13.309 -8.064) 15.562 9.818 ( 0.000 6.181 -5.131) 8.033 10.155 ( 0.000 2.952 5.665) 6.388 10.155 ( 0.000 -3.604 -6.431) 7.372 10.213 ( 0.000 6.942 -3.525) 7.785 10.599 ( 0.000 2.075 9.010) 9.246 10.621 ( 0.000 11.990 12.008) 16.969 10.854 ( 0.000 -6.261 -14.114) 15.440 11.108 ( 0.000 -5.741 5.129) 7.698 11.213 ( 0.000 -3.269 -15.413) 15.756 11.292 ( 0.000 -4.415 4.673) 6.428 11.772 ( 0.000 8.661 -8.266) 11.972 11.896 ( 0.000 8.445 -6.002) 10.361 12.057 ( 0.000 2.877 -12.915) 13.232 12.220 ( 0.000 -1.212 -9.754) 9.829 12.604 ( 0.000 -2.265 -3.429) 4.109 12.675 ( 0.000 -2.329 -4.564) 5.124 12.932 ( 0.000 0.352 17.074) 17.078 12.937 ( 0.000 -0.827 8.174) 8.215 13.253 ( 0.000 -1.759 5.961) 6.215 13.274 ( 0.000 -11.143 31.695) 33.596 18.662 ( 0.000 1.608 1.369) 2.112 18.802 ( 0.000 0.701 2.403) 2.503 19.023 ( 0.000 -8.047 -0.204) 8.050 19.032 ( 0.000 -5.390 1.977) 5.742 19.998 ( 0.000 13.462 -2.557) 13.702 20.110 ( 0.000 13.447 -2.598) 13.695 20.359 ( 0.000 19.212 -28.927) 34.726 20.609 ( 0.000 4.820 -9.736) 10.864 20.858 ( 0.000 -1.965 -0.138) 1.970 20.903 ( 0.000 -0.094 -0.313) 0.327 20.928 ( 0.000 -2.899 0.853) 3.022 20.990 ( 0.000 -1.495 0.193) 1.508 21.343 ( 0.000 0.059 7.225) 7.225 21.435 ( 0.000 -0.278 2.030) 2.048 21.570 ( 0.000 -3.855 7.857) 8.752 21.827 ( 0.000 -17.461 26.424) 31.672 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 7.243 16.618 11.119) 21.266 1.180 ( 10.441 16.016 13.856) 23.612 1.517 ( -2.679 16.065 3.029) 16.566 1.752 ( -11.866 3.630 -1.202) 12.467 1.881 ( -3.701 4.407 3.207) 6.589 1.923 ( -11.881 6.377 6.771) 15.089 2.315 ( 11.836 12.387 4.858) 17.808 2.395 ( 9.019 13.924 10.678) 19.729 2.515 ( 4.823 -5.599 -3.012) 7.980 2.689 ( 4.631 1.234 0.086) 4.793 2.715 ( 3.541 4.432 -4.429) 7.197 2.891 ( -2.829 -5.247 -4.270) 7.332 2.929 ( 1.856 5.885 -6.355) 8.858 2.970 ( -0.906 4.673 -3.525) 5.924 3.118 ( -0.794 4.199 -2.653) 5.030 3.194 ( -1.816 -3.015 -0.420) 3.545 3.223 ( 3.938 -0.347 2.565) 4.712 3.236 ( -0.394 -4.296 2.740) 5.111 3.346 ( -2.399 7.659 3.556) 8.778 3.490 ( -0.529 -0.919 0.744) 1.295 3.625 ( 1.585 3.804 2.668) 4.909 3.910 ( -20.678 8.874 2.780) 22.673 4.666 ( 0.994 -9.395 -3.778) 10.175 4.714 ( 6.947 -5.022 -4.891) 9.869 5.073 ( -2.875 1.728 0.187) 3.360 5.226 ( -1.975 5.622 -8.820) 10.644 5.293 ( 4.652 9.256 -0.403) 10.367 5.385 ( 1.448 -1.864 -4.695) 5.255 5.446 ( -0.356 -0.781 -0.216) 0.885 5.591 ( -1.867 6.116 -0.517) 6.416 5.643 ( 1.014 0.805 -0.897) 1.575 5.779 ( 1.947 0.485 -7.165) 7.440 5.975 ( -0.555 -2.566 3.209) 4.146 6.086 ( -1.336 -8.802 3.315) 9.500 6.246 ( 0.976 3.850 3.200) 5.101 6.275 ( 0.751 4.515 -0.458) 4.599 6.566 ( 0.624 -6.746 1.004) 6.848 6.593 ( 0.272 -6.942 -0.208) 6.951 6.906 ( 0.969 -8.420 8.797) 12.216 6.973 ( -0.929 -5.560 2.375) 6.117 7.667 ( 7.465 4.014 -2.154) 8.746 8.046 ( 1.135 3.346 -2.445) 4.297 8.173 ( -7.086 3.550 2.437) 8.292 8.285 ( -4.802 -0.669 -13.365) 14.218 8.471 ( 5.220 1.387 0.838) 5.465 8.758 ( -7.490 -3.629 0.729) 8.355 9.089 ( 6.082 1.448 -2.379) 6.689 9.224 ( -0.201 -9.523 -6.412) 11.482 9.846 ( 2.455 4.639 -4.661) 7.020 10.051 ( -6.138 -0.912 -3.697) 7.223 10.147 ( -0.694 3.623 4.112) 5.524 10.193 ( -2.317 6.725 -2.100) 7.416 10.641 ( 1.678 9.580 3.581) 10.364 10.650 ( 3.187 2.918 9.152) 10.121 10.900 ( 2.749 -8.601 -6.066) 10.878 11.061 ( -2.967 -8.977 3.626) 10.126 11.286 ( 5.936 -2.104 -9.735) 11.595 11.371 ( 5.179 -2.841 -0.513) 5.929 11.778 ( -0.176 1.593 -0.903) 1.839 11.858 ( -3.217 7.508 -10.765) 13.513 12.026 ( -1.817 3.295 -10.124) 10.800 12.145 ( -5.062 4.444 -13.609) 15.185 12.613 ( 0.712 -2.385 -3.380) 4.198 12.655 ( -1.198 -2.613 -3.798) 4.763 12.963 ( 2.737 0.318 18.236) 18.443 13.018 ( 5.734 -1.217 6.741) 8.933 13.186 ( -5.828 -5.140 24.678) 25.873 13.231 ( -2.788 -3.023 9.661) 10.500 18.685 ( 1.904 1.551 1.553) 2.906 18.785 ( -1.550 0.916 2.362) 2.970 19.029 ( 0.389 -7.269 0.307) 7.286 19.034 ( 0.128 -5.588 1.703) 5.843 20.004 ( 0.538 13.592 -2.683) 13.865 20.071 ( -2.467 14.573 -3.647) 15.224 20.426 ( 4.629 14.170 -23.846) 28.122 20.588 ( -1.915 5.683 -11.554) 13.018 20.861 ( 0.258 -1.905 -0.109) 1.926 20.888 ( -0.891 -1.170 -0.074) 1.473 20.945 ( 1.085 -1.905 0.379) 2.225 20.984 ( -0.488 -1.510 0.097) 1.590 21.356 ( 1.137 -0.019 7.126) 7.216 21.424 ( -1.006 -0.324 3.088) 3.264 21.582 ( 1.176 -4.297 9.565) 10.552 21.743 ( -5.813 -12.011 22.997) 26.588 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -11.408 11.884 8.917) 18.733 1.295 ( 11.408 11.884 8.917) 18.733 1.488 ( -12.768 13.484 5.064) 19.247 1.488 ( 12.768 13.484 5.064) 19.247 1.804 ( -2.057 4.263 3.853) 6.103 1.804 ( 2.057 4.263 3.853) 6.103 2.466 ( -3.248 -3.230 1.464) 4.809 2.466 ( 3.248 -3.230 1.464) 4.809 2.694 ( -8.392 5.136 -1.888) 10.018 2.694 ( 8.392 5.136 -1.888) 10.018 2.835 ( -4.134 4.266 -4.283) 7.323 2.835 ( 4.134 4.266 -4.283) 7.323 2.986 ( -3.774 8.155 -1.861) 9.176 2.986 ( 3.774 8.155 -1.861) 9.176 3.066 ( -7.582 7.000 2.715) 10.671 3.066 ( 7.582 7.000 2.715) 10.671 3.270 ( -2.327 -3.270 3.725) 5.476 3.270 ( 2.327 -3.270 3.725) 5.476 3.401 ( -7.197 1.546 1.767) 7.570 3.401 ( 7.197 1.546 1.767) 7.570 3.636 ( -1.872 3.403 1.228) 4.073 3.636 ( 1.872 3.403 1.228) 4.073 4.726 ( -4.038 -10.693 -4.086) 12.139 4.726 ( 4.038 -10.693 -4.086) 12.139 5.114 ( -5.778 5.958 -3.690) 9.083 5.114 ( 5.778 5.958 -3.690) 9.083 5.404 ( -2.242 2.507 -3.821) 5.091 5.404 ( 2.242 2.507 -3.821) 5.091 5.474 ( -5.695 6.411 -1.799) 8.762 5.474 ( 5.695 6.411 -1.799) 8.762 5.743 ( -4.744 -4.083 -2.889) 6.893 5.743 ( 4.744 -4.083 -2.889) 6.893 6.021 ( -3.816 -3.839 3.482) 6.436 6.021 ( 3.816 -3.839 3.482) 6.436 6.273 ( -0.995 3.940 0.651) 4.115 6.273 ( 0.995 3.940 0.651) 4.115 6.585 ( -0.825 -6.694 1.025) 6.822 6.585 ( 0.825 -6.694 1.025) 6.822 6.941 ( -1.796 -6.754 4.508) 8.316 6.941 ( 1.796 -6.754 4.508) 8.316 7.885 ( -11.142 2.897 -1.441) 11.602 7.885 ( 11.142 2.897 -1.441) 11.602 8.180 ( -4.216 4.467 -4.933) 7.878 8.180 ( 4.216 4.467 -4.933) 7.878 8.600 ( -6.460 -3.499 -0.601) 7.371 8.600 ( 6.460 -3.499 -0.601) 7.371 9.193 ( -2.959 -3.048 -4.060) 5.876 9.193 ( 2.959 -3.048 -4.060) 5.876 9.926 ( -4.706 2.021 -3.859) 6.413 9.926 ( 4.706 2.021 -3.859) 6.413 10.148 ( -1.114 4.800 1.794) 5.244 10.148 ( 1.114 4.800 1.794) 5.244 10.677 ( -0.876 7.176 2.932) 7.801 10.677 ( 0.876 7.176 2.932) 7.801 10.978 ( -4.162 -11.448 2.014) 12.347 10.978 ( 4.162 -11.448 2.014) 12.347 11.418 ( -2.937 -0.454 -6.224) 6.897 11.418 ( 2.937 -0.454 -6.224) 6.897 11.776 ( -1.980 -3.318 0.390) 3.884 11.776 ( 1.980 -3.318 0.390) 3.884 12.046 ( -3.447 9.551 -16.501) 19.374 12.046 ( 3.447 9.551 -16.501) 19.374 12.632 ( -0.944 -2.620 -3.409) 4.402 12.632 ( 0.944 -2.620 -3.409) 4.402 13.053 ( -5.220 -0.971 21.665) 22.306 13.053 ( 5.220 -0.971 21.665) 22.306 13.144 ( -4.944 -1.826 6.597) 8.444 13.144 ( 4.944 -1.826 6.597) 8.444 18.737 ( -2.513 1.316 1.998) 3.469 18.737 ( 2.513 1.316 1.998) 3.469 19.035 ( -0.087 -6.127 1.131) 6.231 19.035 ( 0.087 -6.127 1.131) 6.231 20.026 ( -1.486 14.135 -3.158) 14.560 20.026 ( 1.486 14.135 -3.158) 14.560 20.524 ( -3.774 8.585 -16.742) 19.189 20.524 ( 3.774 8.585 -16.742) 19.189 20.870 ( -0.618 -1.690 -0.080) 1.801 20.870 ( 0.618 -1.690 -0.080) 1.801 20.968 ( -0.936 -1.574 0.069) 1.833 20.968 ( 0.936 -1.574 0.069) 1.833 21.391 ( -1.812 -0.254 5.826) 6.107 21.391 ( 1.812 -0.254 5.826) 6.107 21.632 ( -3.569 -6.266 15.056) 16.694 21.632 ( 3.569 -6.266 15.056) 16.694 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 18.485 7.614) 19.992 1.427 ( 0.000 21.025 7.854) 22.444 1.791 ( 0.000 9.658 0.588) 9.676 1.901 ( 0.000 -6.554 1.934) 6.834 1.983 ( 0.000 -2.564 -3.053) 3.987 2.137 ( 0.000 -0.035 -0.534) 0.535 2.323 ( 0.000 -3.250 1.367) 3.526 2.347 ( 0.000 5.496 6.188) 8.276 2.520 ( 0.000 4.316 3.841) 5.777 2.696 ( 0.000 2.675 3.118) 4.108 2.739 ( 0.000 -2.098 1.658) 2.674 2.903 ( 0.000 -5.041 -6.744) 8.420 2.944 ( 0.000 -3.568 -2.220) 4.202 2.946 ( 0.000 -12.070 -0.888) 12.102 3.026 ( 0.000 26.031 2.488) 26.149 3.191 ( 0.000 2.705 1.940) 3.329 3.213 ( 0.000 5.782 0.350) 5.793 3.394 ( 0.000 6.492 -3.664) 7.455 3.432 ( 0.000 1.564 -2.424) 2.885 3.603 ( 0.000 7.022 1.121) 7.111 3.693 ( 0.000 5.248 4.443) 6.876 4.311 ( 0.000 -24.043 3.882) 24.354 4.447 ( 0.000 8.262 -3.242) 8.875 4.561 ( 0.000 1.958 -1.039) 2.216 5.152 ( 0.000 1.362 0.115) 1.367 5.195 ( 0.000 -3.307 -4.408) 5.510 5.373 ( 0.000 2.547 -8.870) 9.228 5.427 ( 0.000 3.182 3.176) 4.495 5.487 ( 0.000 8.625 -8.021) 11.778 5.564 ( 0.000 -2.456 -2.148) 3.263 5.720 ( 0.000 -1.321 -2.135) 2.511 5.844 ( 0.000 -2.530 -4.581) 5.234 5.971 ( 0.000 -0.160 -1.384) 1.394 5.985 ( 0.000 7.868 1.077) 7.941 6.230 ( 0.000 -4.590 -1.754) 4.914 6.326 ( 0.000 -3.677 0.321) 3.691 6.465 ( 0.000 -0.734 8.336) 8.369 6.504 ( 0.000 2.837 2.272) 3.634 6.730 ( 0.000 -8.000 11.492) 14.003 6.860 ( 0.000 -7.993 2.404) 8.346 7.676 ( 0.000 5.873 -6.052) 8.434 7.959 ( 0.000 -7.312 -7.791) 10.685 8.347 ( 0.000 4.268 -1.238) 4.444 8.404 ( 0.000 0.514 3.137) 3.178 8.440 ( 0.000 7.779 -10.115) 12.760 8.888 ( 0.000 -10.832 -9.180) 14.198 8.927 ( 0.000 2.924 8.629) 9.111 9.056 ( 0.000 -2.933 -2.581) 3.907 9.961 ( 0.000 7.994 -5.081) 9.472 10.094 ( 0.000 -1.830 -0.893) 2.036 10.219 ( 0.000 4.101 6.304) 7.521 10.375 ( 0.000 9.359 -8.221) 12.457 10.530 ( 0.000 -9.074 6.558) 11.196 10.714 ( 0.000 -7.504 -9.123) 11.813 10.853 ( 0.000 11.917 12.904) 17.565 11.018 ( 0.000 -2.774 2.920) 4.028 11.109 ( 0.000 -6.432 -11.196) 12.912 11.214 ( 0.000 -4.947 9.626) 10.823 11.791 ( 0.000 1.523 2.959) 3.328 12.006 ( 0.000 -6.409 -1.184) 6.518 12.195 ( 0.000 15.335 -18.538) 24.059 12.291 ( 0.000 6.723 -16.632) 17.939 12.540 ( 0.000 -4.389 -6.952) 8.222 12.601 ( 0.000 -5.643 -7.913) 9.719 12.928 ( 0.000 -0.128 10.019) 10.020 12.934 ( 0.000 -0.122 14.764) 14.764 13.173 ( 0.000 -1.374 21.506) 21.550 13.216 ( 0.000 -2.037 9.069) 9.295 18.705 ( 0.000 2.937 1.041) 3.116 18.823 ( 0.000 1.374 2.097) 2.507 18.886 ( 0.000 -6.128 0.685) 6.166 18.939 ( 0.000 -4.265 2.354) 4.872 20.264 ( 0.000 13.865 -3.313) 14.255 20.360 ( 0.000 12.374 -3.621) 12.893 20.593 ( 0.000 5.476 -17.577) 18.410 20.642 ( 0.000 -2.945 -7.790) 8.328 20.839 ( 0.000 1.036 0.036) 1.037 20.868 ( 0.000 -2.389 -0.259) 2.403 20.894 ( 0.000 -0.911 -1.667) 1.900 20.951 ( 0.000 -2.634 -0.740) 2.735 21.358 ( 0.000 1.710 6.742) 6.956 21.437 ( 0.000 0.500 6.040) 6.060 21.493 ( 0.000 -3.937 6.088) 7.250 21.591 ( 0.000 -8.378 17.305) 19.227 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 3.422 16.437 7.582) 18.422 1.523 ( 7.868 19.423 6.557) 21.958 1.763 ( -6.666 8.457 2.662) 11.093 1.814 ( -4.768 2.675 0.547) 5.494 1.875 ( -2.601 -5.038 3.529) 6.678 2.075 ( -8.898 9.104 1.021) 12.771 2.270 ( 0.212 -10.985 0.479) 10.997 2.441 ( 2.711 0.469 0.041) 2.751 2.541 ( 2.285 -0.014 1.403) 2.681 2.699 ( 0.640 -2.345 -0.731) 2.538 2.782 ( 3.119 -3.362 -2.321) 5.140 2.916 ( -1.534 -10.602 0.181) 10.714 2.983 ( 3.555 0.547 -6.400) 7.342 3.012 ( 6.126 1.126 0.575) 6.255 3.123 ( 5.308 18.604 2.443) 19.501 3.169 ( -1.357 1.783 0.679) 2.341 3.236 ( 3.942 7.558 4.266) 9.533 3.386 ( 1.054 8.632 -2.475) 9.041 3.469 ( 1.989 3.867 -1.548) 4.615 3.555 ( -3.347 6.564 2.022) 7.640 3.705 ( 0.182 4.277 3.095) 5.282 4.132 ( -18.103 13.317 2.840) 22.652 4.349 ( 2.553 -21.367 4.469) 21.978 4.607 ( -2.871 -8.083 -3.687) 9.337 5.145 ( 2.059 4.694 -1.322) 5.294 5.256 ( 1.367 -0.877 -5.410) 5.649 5.383 ( 0.515 1.334 -3.483) 3.765 5.417 ( 0.844 1.072 -8.164) 8.278 5.458 ( -0.826 3.970 -3.163) 5.142 5.613 ( 2.304 1.860 -2.331) 3.768 5.704 ( -1.735 -1.000 -1.984) 2.819 5.804 ( -3.146 -3.568 -2.602) 5.422 5.982 ( 0.875 2.113 -0.962) 2.481 5.989 ( 0.513 6.306 0.156) 6.329 6.255 ( 2.069 -4.357 -1.800) 5.148 6.324 ( -0.433 -2.900 -0.031) 2.932 6.478 ( 1.073 -0.236 7.833) 7.910 6.516 ( 0.462 2.413 3.488) 4.266 6.744 ( 1.458 -8.518 9.363) 12.742 6.841 ( -1.614 -8.244 3.109) 8.957 7.757 ( 6.905 5.557 -5.777) 10.580 8.019 ( 4.844 -6.318 -7.617) 11.018 8.210 ( -10.292 2.483 -2.947) 10.990 8.299 ( -4.563 0.899 -6.265) 7.802 8.563 ( 5.034 7.173 -1.295) 8.858 8.781 ( -5.592 5.047 2.563) 7.957 9.003 ( 3.524 -10.324 -2.942) 11.299 9.077 ( 0.917 -4.718 -0.875) 4.885 9.975 ( 1.251 7.716 -3.764) 8.675 10.066 ( -2.027 3.376 -0.146) 3.940 10.209 ( -0.305 2.192 3.947) 4.525 10.318 ( -4.004 4.383 -3.960) 7.136 10.621 ( 6.619 -5.501 3.282) 9.210 10.720 ( 1.022 -3.407 -5.193) 6.295 10.829 ( -2.411 3.469 4.091) 5.880 10.919 ( -5.554 -4.829 3.066) 7.973 11.236 ( 8.941 -1.688 -4.440) 10.125 11.333 ( 8.215 -2.059 5.389) 10.038 11.727 ( -5.342 -1.184 4.418) 7.033 11.881 ( -9.647 -5.151 -0.695) 10.958 12.207 ( 1.317 12.736 -16.876) 21.183 12.289 ( -0.831 8.713 -16.257) 18.463 12.544 ( 0.392 -4.988 -6.778) 8.425 12.582 ( -1.199 -5.204 -6.875) 8.706 12.970 ( 2.973 0.432 14.976) 15.275 12.997 ( 5.002 -1.000 8.624) 10.020 13.135 ( -3.081 -0.382 19.722) 19.965 13.189 ( -2.447 -2.083 8.813) 9.381 18.726 ( 1.772 2.861 1.261) 3.594 18.811 ( -1.146 1.913 2.225) 3.150 18.899 ( 1.059 -6.147 0.666) 6.273 18.936 ( -0.291 -4.572 2.064) 5.025 20.271 ( 0.681 13.864 -3.469) 14.308 20.337 ( -1.750 13.031 -3.927) 13.722 20.604 ( 0.871 3.684 -15.571) 16.024 20.637 ( -0.409 -2.112 -8.910) 9.166 20.839 ( 0.046 0.753 0.044) 0.756 20.855 ( -0.737 -1.205 -0.351) 1.455 20.911 ( 1.029 -1.752 -1.362) 2.446 20.946 ( -0.417 -2.540 -0.854) 2.712 21.369 ( 0.926 1.557 6.877) 7.111 21.427 ( -0.928 0.786 5.985) 6.107 21.497 ( 0.514 -4.411 7.689) 8.879 21.564 ( -2.009 -7.025 15.276) 16.933 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -8.561 11.550 6.985) 15.984 1.521 ( 8.561 11.550 6.985) 15.984 1.757 ( -7.005 11.265 0.708) 13.285 1.757 ( 7.005 11.265 0.708) 13.285 1.858 ( -4.248 3.565 5.314) 7.681 1.858 ( 4.248 3.565 5.314) 7.681 2.355 ( -5.695 -9.009 -0.021) 10.658 2.355 ( 5.695 -9.009 -0.021) 10.658 2.666 ( -4.688 -1.104 -4.946) 6.904 2.666 ( 4.688 -1.104 -4.946) 6.904 2.854 ( -3.413 -6.575 -1.625) 7.584 2.854 ( 3.413 -6.575 -1.625) 7.584 3.087 ( -4.072 2.685 -1.144) 5.010 3.087 ( 4.072 2.685 -1.144) 5.010 3.123 ( -1.782 2.410 1.074) 3.184 3.123 ( 1.782 2.410 1.074) 3.184 3.433 ( -2.364 11.809 1.744) 12.168 3.433 ( 2.364 11.809 1.744) 12.168 3.480 ( -1.367 6.268 0.575) 6.441 3.480 ( 1.367 6.268 0.575) 6.441 3.765 ( -9.994 12.097 5.383) 16.589 3.765 ( 9.994 12.097 5.383) 16.589 4.468 ( -7.369 -16.637 1.463) 18.255 4.468 ( 7.369 -16.637 1.463) 18.255 5.223 ( -3.583 5.356 -5.080) 8.205 5.223 ( 3.583 5.356 -5.080) 8.205 5.396 ( -1.619 -1.918 -5.556) 6.096 5.396 ( 1.619 -1.918 -5.556) 6.096 5.551 ( -6.316 1.603 -5.114) 8.284 5.551 ( 6.316 1.603 -5.114) 8.284 5.730 ( -3.311 -1.138 0.023) 3.502 5.730 ( 3.311 -1.138 0.023) 3.502 5.997 ( -0.225 4.109 -0.505) 4.146 5.997 ( 0.225 4.109 -0.505) 4.146 6.301 ( -1.653 -3.527 -1.302) 4.107 6.301 ( 1.653 -3.527 -1.302) 4.107 6.506 ( -1.197 1.372 6.381) 6.636 6.506 ( 1.197 1.372 6.381) 6.636 6.793 ( -2.543 -8.678 5.357) 10.510 6.793 ( 2.543 -8.678 5.357) 10.510 7.958 ( -10.365 4.731 -4.643) 12.303 7.958 ( 10.365 4.731 -4.643) 12.303 8.167 ( -6.548 -4.710 -8.120) 11.445 8.167 ( 6.548 -4.710 -8.120) 11.445 8.667 ( -4.666 8.974 2.025) 10.315 8.667 ( 4.666 8.974 2.025) 10.315 9.067 ( -1.894 -9.310 -1.823) 9.674 9.067 ( 1.894 -9.310 -1.823) 9.674 10.016 ( -2.295 7.243 -1.041) 7.669 10.016 ( 2.295 7.243 -1.041) 7.669 10.235 ( -2.824 2.117 0.033) 3.529 10.235 ( 2.824 2.117 0.033) 3.529 10.755 ( -1.460 -0.449 -0.948) 1.798 10.755 ( 1.460 -0.449 -0.948) 1.798 10.789 ( -4.570 -5.803 1.967) 7.644 10.789 ( 4.570 -5.803 1.967) 7.644 11.432 ( -4.796 2.855 -1.601) 5.807 11.432 ( 4.796 2.855 -1.601) 5.807 11.668 ( -5.747 -7.039 5.187) 10.463 11.668 ( 5.747 -7.039 5.187) 10.463 12.251 ( -2.223 10.737 -16.082) 19.464 12.251 ( 2.223 10.737 -16.082) 19.464 12.559 ( -0.891 -5.172 -6.499) 8.353 12.559 ( 0.891 -5.172 -6.499) 8.353 13.051 ( -3.978 0.739 16.677) 17.161 13.051 ( 3.978 0.739 16.677) 17.161 13.110 ( -4.522 -1.859 8.187) 9.536 13.110 ( 4.522 -1.859 8.187) 9.536 18.773 ( -2.159 2.515 1.811) 3.777 18.773 ( 2.159 2.515 1.811) 3.777 18.923 ( -0.914 -5.402 1.318) 5.635 18.923 ( 0.914 -5.402 1.318) 5.635 20.297 ( -1.604 13.711 -3.834) 14.327 20.297 ( 1.604 13.711 -3.834) 14.327 20.624 ( -0.770 0.359 -11.898) 11.928 20.624 ( 0.770 0.359 -11.898) 11.928 20.843 ( -0.352 -0.028 -0.093) 0.365 20.843 ( 0.352 -0.028 -0.093) 0.365 20.932 ( -0.832 -2.261 -1.115) 2.655 20.932 ( 0.832 -2.261 -1.115) 2.655 21.398 ( -1.524 1.150 6.709) 6.976 21.398 ( 1.524 1.150 6.709) 6.976 21.521 ( -1.613 -5.247 11.020) 12.311 21.521 ( 1.613 -5.247 11.020) 12.311 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.000 -11.862 3.018) 12.240 1.662 ( 0.000 11.862 3.018) 12.240 1.849 ( 0.000 -13.422 2.311) 13.619 1.849 ( 0.000 13.422 2.311) 13.619 1.934 ( 0.000 -0.589 -0.158) 0.610 1.934 ( 0.000 0.589 -0.158) 0.610 2.437 ( 0.000 -11.368 1.616) 11.482 2.437 ( 0.000 11.368 1.616) 11.482 2.566 ( 0.000 -10.013 6.704) 12.050 2.566 ( 0.000 10.013 6.704) 12.050 2.804 ( 0.000 -2.739 -3.729) 4.627 2.804 ( 0.000 2.739 -3.729) 4.627 2.860 ( 0.000 -4.812 -2.162) 5.275 2.860 ( 0.000 4.812 -2.162) 5.275 3.197 ( 0.000 -1.482 -1.313) 1.979 3.197 ( 0.000 1.482 -1.313) 1.979 3.460 ( 0.000 -0.319 -3.083) 3.099 3.460 ( 0.000 0.319 -3.083) 3.099 3.606 ( 0.000 -13.636 3.021) 13.967 3.606 ( 0.000 13.636 3.021) 13.967 3.839 ( 0.000 -17.958 6.705) 19.169 3.839 ( 0.000 17.958 6.705) 19.169 4.560 ( 0.000 -2.740 -4.083) 4.917 4.560 ( 0.000 2.740 -4.083) 4.917 5.161 ( 0.000 -0.214 -0.998) 1.021 5.161 ( 0.000 0.214 -0.998) 1.021 5.435 ( 0.000 -1.889 1.502) 2.413 5.435 ( 0.000 1.889 1.502) 2.413 5.552 ( 0.000 -1.621 -9.677) 9.812 5.552 ( 0.000 1.621 -9.677) 9.812 5.740 ( 0.000 -5.473 -4.963) 7.388 5.740 ( 0.000 5.473 -4.963) 7.388 6.076 ( 0.000 -9.069 -1.230) 9.152 6.076 ( 0.000 9.069 -1.230) 9.152 6.176 ( 0.000 -9.929 -0.396) 9.937 6.176 ( 0.000 9.929 -0.396) 9.937 6.534 ( 0.000 -5.102 9.987) 11.215 6.534 ( 0.000 5.102 9.987) 11.215 6.697 ( 0.000 -7.624 4.243) 8.725 6.697 ( 0.000 7.624 4.243) 8.725 7.806 ( 0.000 -7.812 -8.430) 11.493 7.806 ( 0.000 7.812 -8.430) 11.493 8.396 ( 0.000 -1.315 2.337) 2.682 8.396 ( 0.000 1.315 2.337) 2.682 8.649 ( 0.000 -12.828 -10.980) 16.886 8.649 ( 0.000 12.828 -10.980) 16.886 9.000 ( 0.000 -3.858 4.022) 5.573 9.000 ( 0.000 3.858 4.022) 5.573 10.070 ( 0.000 -2.430 -1.487) 2.849 10.070 ( 0.000 2.430 -1.487) 2.849 10.336 ( 0.000 -9.142 5.395) 10.616 10.336 ( 0.000 9.142 5.395) 10.616 10.555 ( 0.000 -9.280 -9.533) 13.304 10.555 ( 0.000 9.280 -9.533) 13.304 11.007 ( 0.000 -3.920 -2.439) 4.617 11.007 ( 0.000 3.920 -2.439) 4.617 11.077 ( 0.000 -8.990 12.479) 15.380 11.077 ( 0.000 8.990 12.479) 15.380 11.874 ( 0.000 -6.539 -0.215) 6.543 11.874 ( 0.000 6.539 -0.215) 6.543 12.400 ( 0.000 -0.025 -13.689) 13.689 12.400 ( 0.000 0.025 -13.689) 13.689 12.473 ( 0.000 -3.782 -11.163) 11.786 12.473 ( 0.000 3.782 -11.163) 11.786 12.930 ( 0.000 -0.270 12.349) 12.352 12.930 ( 0.000 0.270 12.349) 12.352 13.180 ( 0.000 -1.535 14.159) 14.242 13.180 ( 0.000 1.535 14.159) 14.242 18.775 ( 0.000 -4.515 0.539) 4.547 18.775 ( 0.000 4.515 0.539) 4.547 18.872 ( 0.000 -2.778 2.654) 3.843 18.872 ( 0.000 2.778 2.654) 3.843 20.502 ( 0.000 -10.658 -4.604) 11.610 20.502 ( 0.000 10.658 -4.604) 11.610 20.559 ( 0.000 -7.745 -6.945) 10.403 20.559 ( 0.000 7.745 -6.945) 10.403 20.867 ( 0.000 -1.752 -2.958) 3.438 20.867 ( 0.000 1.752 -2.958) 3.438 20.892 ( 0.000 -3.357 -1.304) 3.602 20.892 ( 0.000 3.357 -1.304) 3.602 21.408 ( 0.000 -3.290 7.027) 7.759 21.408 ( 0.000 3.290 7.027) 7.759 21.484 ( 0.000 -3.253 9.543) 10.082 21.484 ( 0.000 3.253 9.543) 10.082 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.708 -11.981 3.721) 12.566 1.665 ( 0.708 11.981 3.721) 12.566 1.839 ( -5.564 -0.632 1.931) 5.923 1.839 ( -5.564 0.632 1.931) 5.923 1.929 ( 5.557 -17.972 2.301) 18.952 1.929 ( 5.557 17.972 2.301) 18.952 2.326 ( -8.572 -11.585 0.277) 14.414 2.326 ( -8.572 11.585 0.277) 14.414 2.635 ( 4.379 -7.372 2.396) 8.903 2.635 ( 4.379 7.372 2.396) 8.903 2.757 ( -1.124 -1.828 -2.476) 3.276 2.757 ( -1.124 1.828 -2.476) 3.276 2.991 ( 6.980 -1.230 -2.161) 7.410 2.991 ( 6.980 1.230 -2.161) 7.410 3.188 ( -1.094 -1.124 0.481) 1.641 3.188 ( -1.094 1.124 0.481) 1.641 3.476 ( 1.912 -0.237 -3.211) 3.745 3.476 ( 1.912 0.237 -3.211) 3.745 3.611 ( -0.980 -4.656 0.787) 4.823 3.611 ( -0.980 4.656 0.787) 4.822 3.886 ( 5.528 -21.695 8.078) 23.801 3.886 ( 5.528 21.695 8.078) 23.801 4.404 ( -12.091 -12.939 0.380) 17.713 4.404 ( -12.091 12.939 0.380) 17.713 5.220 ( 4.140 -3.013 -5.511) 7.523 5.220 ( 4.140 3.013 -5.511) 7.523 5.407 ( -2.400 -0.849 -1.853) 3.149 5.407 ( -2.400 0.849 -1.853) 3.149 5.576 ( 1.825 -7.034 -5.927) 9.378 5.576 ( 1.825 7.034 -5.927) 9.378 5.701 ( -2.773 -4.317 -2.675) 5.786 5.701 ( -2.773 4.317 -2.675) 5.786 6.107 ( 2.278 -9.210 -1.887) 9.673 6.107 ( 2.278 9.210 -1.887) 9.673 6.176 ( -0.268 -10.120 -0.770) 10.153 6.176 ( -0.268 10.120 -0.770) 10.153 6.561 ( 2.299 -5.797 8.788) 10.776 6.561 ( 2.299 5.797 8.788) 10.776 6.677 ( -1.760 -7.464 4.864) 9.081 6.677 ( -1.760 7.464 4.864) 9.081 7.880 ( 6.219 -7.275 -8.171) 12.584 7.880 ( 6.219 7.275 -8.171) 12.584 8.270 ( -8.816 -3.114 -3.359) 9.934 8.270 ( -8.816 3.114 -3.359) 9.934 8.740 ( 5.915 -10.199 -4.745) 12.709 8.740 ( 5.915 10.199 -4.745) 12.709 8.963 ( -3.146 -6.454 3.061) 7.805 8.963 ( -3.146 6.454 3.061) 7.805 10.097 ( 2.389 -3.673 -0.760) 4.447 10.097 ( 2.389 3.673 -0.760) 4.447 10.274 ( -4.450 -6.644 2.690) 8.437 10.274 ( -4.450 6.644 2.690) 8.437 10.621 ( 4.800 -5.324 -5.816) 9.231 10.621 ( 4.800 5.324 -5.816) 9.231 10.873 ( -6.370 -1.526 1.465) 6.712 10.873 ( -6.370 1.526 1.465) 6.712 11.266 ( 11.056 -4.150 6.166) 13.322 11.266 ( 11.056 4.150 6.166) 13.322 11.772 ( -8.612 -5.185 0.769) 10.082 11.772 ( -8.612 5.185 0.769) 10.082 12.406 ( 0.705 -6.102 -12.344) 13.788 12.406 ( 0.705 6.102 -12.344) 13.788 12.462 ( -1.011 -5.540 -10.985) 12.344 12.462 ( -1.011 5.540 -10.985) 12.344 12.980 ( 3.919 -0.697 11.620) 12.283 12.980 ( 3.919 0.697 11.620) 12.283 13.152 ( -2.494 -1.697 13.341) 13.677 13.152 ( -2.494 1.697 13.341) 13.677 18.795 ( 1.576 -4.383 0.830) 4.731 18.795 ( 1.576 4.383 0.830) 4.731 18.863 ( -0.837 -3.107 2.339) 3.978 18.863 ( -0.837 3.107 2.339) 3.978 20.507 ( 0.467 -10.412 -4.968) 11.546 20.507 ( 0.467 10.412 -4.968) 11.546 20.547 ( -0.939 -8.408 -6.633) 10.751 20.547 ( -0.939 8.408 -6.633) 10.751 20.872 ( 0.374 -2.319 -2.628) 3.525 20.872 ( 0.374 2.319 -2.628) 3.525 20.889 ( -0.248 -3.285 -1.476) 3.610 20.889 ( -0.248 3.285 -1.476) 3.610 21.416 ( 0.713 -3.221 7.353) 8.059 21.416 ( 0.713 3.221 7.353) 8.059 21.469 ( -1.200 -3.097 9.143) 9.728 21.469 ( -1.200 3.097 9.143) 9.728 ======================= Grid point 69 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -4.156 -8.394 4.171) 10.254 1.716 ( 4.109 -8.388 4.171) 10.230 1.716 ( -4.109 8.388 4.171) 10.230 1.716 ( 4.156 8.394 4.171) 10.254 2.111 ( -9.621 -15.668 0.731) 18.400 2.111 ( 9.316 -15.622 0.731) 18.203 2.111 ( -9.316 15.622 0.731) 18.203 2.111 ( 9.621 15.668 0.731) 18.400 2.719 ( -1.410 -5.842 -2.176) 6.391 2.719 ( 0.191 -5.800 -2.176) 6.197 2.719 ( -0.191 5.800 -2.176) 6.197 2.719 ( 1.410 5.842 -2.176) 6.391 3.126 ( -4.535 -1.358 0.322) 4.744 3.126 ( -3.697 0.347 0.322) 3.727 3.126 ( 3.697 -0.347 0.322) 3.727 3.126 ( 4.535 1.358 0.322) 4.744 3.547 ( -3.737 -1.103 -1.445) 4.155 3.547 ( -3.054 0.239 -1.445) 3.387 3.547 ( 3.054 -0.239 -1.445) 3.387 3.547 ( 3.737 1.103 -1.445) 4.155 4.105 ( -13.011 -20.716 5.844) 25.151 4.105 ( 12.843 -20.690 5.844) 25.043 4.105 ( -12.843 20.690 5.844) 25.043 4.105 ( 13.011 20.716 5.844) 25.151 5.322 ( -3.065 -4.816 -6.853) 8.920 5.322 ( -0.643 -4.577 -6.853) 8.266 5.322 ( 0.643 4.577 -6.853) 8.266 5.322 ( 3.065 4.816 -6.853) 8.920 5.634 ( -2.366 -6.534 -1.632) 7.138 5.634 ( 1.492 -6.469 -1.632) 6.837 5.634 ( -1.492 6.469 -1.632) 6.837 5.634 ( 2.366 6.534 -1.632) 7.138 6.154 ( -1.661 -9.792 -1.619) 10.063 6.154 ( 1.651 -9.791 -1.619) 10.061 6.154 ( -1.651 9.791 -1.619) 10.061 6.154 ( 1.661 9.792 -1.619) 10.063 6.623 ( -2.432 -8.628 6.535) 11.093 6.623 ( 2.074 -8.605 6.535) 11.002 6.623 ( -2.074 8.605 6.535) 11.002 6.623 ( 2.432 8.628 6.535) 11.093 8.060 ( -9.311 -5.813 -6.918) 12.974 8.060 ( 6.664 -4.818 -6.918) 10.746 8.060 ( -6.664 4.818 -6.918) 10.746 8.060 ( 9.311 5.813 -6.918) 12.974 8.868 ( -4.488 -11.060 0.233) 11.938 8.868 ( 3.540 -10.974 0.233) 11.533 8.868 ( -3.540 10.974 0.233) 11.533 8.868 ( 4.488 11.060 0.233) 11.938 10.172 ( -3.287 -7.665 0.707) 8.370 10.172 ( 1.909 -7.547 0.707) 7.817 10.172 ( -1.909 7.547 0.707) 7.817 10.172 ( 3.287 7.665 0.707) 8.370 10.740 ( -5.666 -2.069 -1.624) 6.246 10.740 ( -5.577 2.007 -1.624) 6.145 10.740 ( 5.577 -2.007 -1.624) 6.145 10.740 ( 5.666 2.069 -1.624) 6.246 11.530 ( -10.372 -6.192 3.369) 12.541 11.530 ( -4.458 -4.052 3.369) 6.902 11.530 ( 4.458 4.052 3.369) 6.902 11.530 ( 10.372 6.192 3.369) 12.541 12.432 ( -1.240 -8.172 -11.110) 13.848 12.432 ( 1.159 -8.169 -11.110) 13.839 12.432 ( -1.159 8.169 -11.110) 13.839 12.432 ( 1.240 8.172 -11.110) 13.848 13.075 ( -4.128 -1.648 11.871) 12.676 13.075 ( -3.646 1.335 11.871) 12.490 13.075 ( 3.646 -1.335 11.871) 12.490 13.075 ( 4.128 1.648 11.871) 12.676 18.834 ( -1.653 -3.952 1.573) 4.564 18.834 ( 1.607 -3.948 1.573) 4.543 18.834 ( -1.607 3.948 1.573) 4.543 18.834 ( 1.653 3.952 1.573) 4.564 20.524 ( -1.010 -9.612 -5.824) 11.285 20.524 ( 1.010 -9.612 -5.824) 11.285 20.524 ( -1.010 9.612 -5.824) 11.285 20.524 ( 1.010 9.612 -5.824) 11.285 20.881 ( -0.446 -2.994 -1.974) 3.613 20.881 ( 0.446 -2.994 -1.974) 3.613 20.881 ( -0.446 2.994 -1.974) 3.613 20.881 ( 0.446 2.994 -1.974) 3.613 21.439 ( -1.252 -3.265 8.209) 8.923 21.439 ( 1.183 -3.259 8.209) 8.911 21.439 ( -1.183 3.259 8.209) 8.911 21.439 ( 1.252 3.265 8.209) 8.923 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 0.000 22.504) 22.504 1.012 ( 0.000 0.000 24.967) 24.967 1.120 ( 0.000 0.000 3.601) 3.601 1.737 ( 0.000 0.000 -5.056) 5.056 1.946 ( 0.000 0.000 0.728) 0.728 2.138 ( 0.000 0.000 1.326) 1.326 2.152 ( 0.000 0.000 3.122) 3.122 2.171 ( 0.000 0.000 40.367) 40.367 2.242 ( 0.000 0.000 4.831) 4.831 2.511 ( 0.000 0.000 -5.531) 5.531 2.621 ( 0.000 0.000 -8.022) 8.022 2.680 ( 0.000 0.000 -2.819) 2.819 2.759 ( 0.000 0.000 -7.002) 7.002 2.814 ( 0.000 0.000 -5.077) 5.077 3.003 ( 0.000 0.000 -4.281) 4.281 3.256 ( 0.000 0.000 1.166) 1.166 3.296 ( 0.000 0.000 6.668) 6.668 3.417 ( 0.000 0.000 1.335) 1.335 3.486 ( 0.000 0.000 7.304) 7.304 3.560 ( 0.000 0.000 -6.143) 6.143 3.598 ( 0.000 0.000 7.588) 7.588 4.134 ( 0.000 0.000 -6.755) 6.755 4.322 ( 0.000 0.000 -1.980) 1.980 4.573 ( 0.000 0.000 -6.234) 6.234 4.985 ( 0.000 0.000 -14.189) 14.189 5.044 ( 0.000 0.000 10.901) 10.901 5.169 ( 0.000 0.000 -4.447) 4.447 5.380 ( 0.000 0.000 -6.719) 6.719 5.381 ( 0.000 0.000 4.206) 4.206 5.455 ( 0.000 0.000 -5.488) 5.488 5.493 ( 0.000 0.000 -4.791) 4.791 5.617 ( 0.000 0.000 -7.606) 7.606 5.964 ( 0.000 0.000 1.617) 1.617 6.119 ( 0.000 0.000 0.532) 0.532 6.292 ( 0.000 0.000 7.439) 7.439 6.613 ( 0.000 0.000 9.908) 9.908 6.633 ( 0.000 0.000 -5.476) 5.476 6.696 ( 0.000 0.000 -5.130) 5.130 7.101 ( 0.000 0.000 3.206) 3.206 7.344 ( 0.000 0.000 -0.950) 0.950 7.604 ( 0.000 0.000 2.650) 2.650 7.891 ( 0.000 0.000 2.114) 2.114 8.316 ( 0.000 0.000 1.035) 1.035 8.326 ( 0.000 0.000 3.748) 3.748 8.355 ( 0.000 0.000 -8.585) 8.585 8.636 ( 0.000 0.000 -12.542) 12.542 8.780 ( 0.000 0.000 -7.622) 7.622 9.286 ( 0.000 0.000 -20.088) 20.088 9.734 ( 0.000 0.000 -0.779) 0.779 9.837 ( 0.000 0.000 -6.388) 6.388 10.062 ( 0.000 0.000 -0.910) 0.910 10.240 ( 0.000 0.000 5.084) 5.084 10.291 ( 0.000 0.000 7.345) 7.345 10.597 ( 0.000 0.000 16.607) 16.607 10.757 ( 0.000 0.000 -0.116) 0.116 10.935 ( 0.000 0.000 -12.243) 12.243 11.363 ( 0.000 0.000 -5.128) 5.128 11.410 ( 0.000 0.000 10.677) 10.677 11.433 ( 0.000 0.000 -22.976) 22.976 11.501 ( 0.000 0.000 8.016) 8.016 12.097 ( 0.000 0.000 5.958) 5.958 12.267 ( 0.000 0.000 -2.109) 2.109 12.601 ( 0.000 0.000 -3.038) 3.038 12.632 ( 0.000 0.000 -5.069) 5.069 13.126 ( 0.000 0.000 9.405) 9.405 13.235 ( 0.000 0.000 13.565) 13.565 13.394 ( 0.000 0.000 6.259) 6.259 14.261 ( 0.000 0.000 -4.112) 4.112 18.683 ( 0.000 0.000 3.174) 3.174 18.858 ( 0.000 0.000 4.031) 4.031 19.198 ( 0.000 0.000 2.460) 2.460 19.220 ( 0.000 0.000 2.751) 2.751 19.245 ( 0.000 0.000 -1.751) 1.751 19.650 ( 0.000 0.000 -3.057) 3.057 19.697 ( 0.000 0.000 -3.237) 3.237 20.219 ( 0.000 0.000 -14.342) 14.342 20.891 ( 0.000 0.000 0.445) 0.445 20.915 ( 0.000 0.000 0.962) 0.962 21.002 ( 0.000 0.000 1.000) 1.000 21.031 ( 0.000 0.000 0.317) 0.317 21.484 ( 0.000 0.000 4.312) 4.312 21.514 ( 0.000 0.000 8.749) 8.749 21.849 ( 0.000 0.000 10.628) 10.628 22.758 ( 0.000 0.000 -5.048) 5.048 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 7.111 0.000 17.727) 19.100 1.132 ( 10.224 0.000 21.078) 23.426 1.167 ( 2.751 0.000 5.391) 6.053 1.709 ( -1.831 0.000 -3.610) 4.048 1.775 ( -14.416 0.000 3.440) 14.821 1.896 ( -10.409 0.000 4.382) 11.293 2.287 ( 14.779 0.000 30.922) 34.272 2.353 ( 6.968 0.000 -3.873) 7.972 2.403 ( 6.007 0.000 2.583) 6.539 2.553 ( 1.467 0.000 -3.139) 3.465 2.611 ( -1.352 0.000 -4.984) 5.164 2.643 ( 2.182 0.000 -7.218) 7.541 2.784 ( -0.279 0.000 -2.812) 2.826 2.831 ( 3.427 0.000 -0.038) 3.427 3.015 ( -1.096 0.000 0.173) 1.109 3.263 ( -4.259 0.000 5.173) 6.701 3.290 ( 2.420 0.000 4.179) 4.829 3.427 ( 1.167 0.000 -0.414) 1.238 3.467 ( 1.578 0.000 6.517) 6.705 3.535 ( -2.152 0.000 -5.356) 5.772 3.625 ( -1.351 0.000 3.018) 3.307 3.821 ( -17.532 0.000 5.968) 18.520 4.453 ( 5.570 0.000 -17.283) 18.158 4.600 ( 1.591 0.000 -11.963) 12.068 4.937 ( -1.927 0.000 -6.248) 6.539 5.099 ( 4.615 0.000 9.222) 10.313 5.110 ( -5.714 0.000 -2.287) 6.155 5.332 ( -3.497 0.000 1.775) 3.921 5.405 ( 1.096 0.000 -3.411) 3.583 5.447 ( -0.624 0.000 -4.331) 4.376 5.638 ( 10.993 0.000 -9.342) 14.426 5.749 ( 8.327 0.000 -10.215) 13.179 5.971 ( 0.885 0.000 1.007) 1.340 6.083 ( -2.881 0.000 0.053) 2.882 6.304 ( 0.936 0.000 8.835) 8.884 6.513 ( -7.806 0.000 9.864) 12.579 6.648 ( 1.254 0.000 -5.109) 5.261 6.696 ( -0.202 0.000 -4.975) 4.979 7.102 ( 0.543 0.000 3.424) 3.467 7.255 ( -6.156 0.000 2.985) 6.841 7.689 ( 7.999 0.000 4.308) 9.086 7.913 ( 2.073 0.000 1.834) 2.768 8.130 ( -7.927 0.000 -0.159) 7.929 8.195 ( -10.053 0.000 1.648) 10.187 8.605 ( 12.622 0.000 -5.337) 13.704 8.693 ( 3.752 0.000 -11.750) 12.334 8.788 ( 0.015 0.000 -8.869) 8.869 9.159 ( -10.039 0.000 -14.681) 17.785 9.759 ( 1.758 0.000 -4.443) 4.778 9.829 ( -0.809 0.000 -6.922) 6.969 10.171 ( 5.340 0.000 -0.158) 5.342 10.250 ( 0.510 0.000 4.821) 4.848 10.373 ( 6.633 0.000 6.347) 9.181 10.696 ( -5.190 0.000 1.148) 5.316 10.745 ( 13.700 0.000 3.674) 14.185 11.002 ( 5.339 0.000 -12.420) 13.519 11.316 ( -4.142 0.000 -7.336) 8.425 11.372 ( -5.834 0.000 -21.348) 22.131 11.428 ( 1.436 0.000 9.938) 10.041 11.491 ( -0.875 0.000 8.183) 8.230 12.095 ( -0.013 0.000 5.723) 5.723 12.199 ( -4.799 0.000 0.603) 4.836 12.606 ( 0.403 0.000 -3.334) 3.358 12.628 ( -0.363 0.000 -4.769) 4.783 13.173 ( 3.688 0.000 8.434) 9.205 13.318 ( 6.592 0.000 14.076) 15.543 13.364 ( -1.946 0.000 6.621) 6.901 13.981 ( -19.835 0.000 7.445) 21.186 18.710 ( 2.292 0.000 3.428) 4.123 18.839 ( -2.027 0.000 4.286) 4.742 19.201 ( 0.252 0.000 2.498) 2.511 19.216 ( -0.286 0.000 2.703) 2.718 19.484 ( 17.655 0.000 -11.002) 20.803 19.657 ( 0.613 0.000 -3.079) 3.139 19.691 ( -0.572 0.000 -3.207) 3.258 20.131 ( -7.866 0.000 -15.423) 17.314 20.892 ( 0.188 0.000 0.560) 0.591 20.910 ( -0.410 0.000 0.922) 1.009 21.008 ( 0.428 0.000 0.957) 1.048 21.028 ( -0.283 0.000 0.479) 0.556 21.492 ( 0.617 0.000 4.880) 4.918 21.513 ( -0.141 0.000 7.729) 7.730 21.912 ( 5.856 0.000 11.755) 13.133 22.500 ( -18.321 0.000 5.717) 19.192 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -5.226 0.000 10.086) 11.360 1.151 ( 5.226 0.000 10.086) 11.360 1.429 ( -15.421 0.000 13.314) 20.373 1.429 ( 15.421 0.000 13.314) 20.373 1.721 ( -4.339 0.000 1.384) 4.555 1.721 ( 4.339 0.000 1.384) 4.555 2.474 ( -4.716 0.000 -7.091) 8.516 2.474 ( 4.716 0.000 -7.091) 8.516 2.476 ( -0.790 0.000 -1.894) 2.052 2.476 ( 0.790 0.000 -1.894) 2.052 2.715 ( -5.485 0.000 -0.196) 5.488 2.715 ( 5.485 0.000 -0.196) 5.488 2.846 ( -13.134 0.000 10.523) 16.830 2.846 ( 13.134 0.000 10.523) 16.830 3.022 ( -12.185 0.000 10.649) 16.183 3.022 ( 12.185 0.000 10.649) 16.183 3.430 ( -8.937 0.000 1.076) 9.002 3.430 ( 8.937 0.000 1.076) 9.002 3.475 ( -2.876 0.000 -3.390) 4.446 3.475 ( 2.876 0.000 -3.390) 4.446 3.592 ( -5.796 0.000 2.838) 6.454 3.592 ( 5.796 0.000 2.838) 6.454 4.570 ( -4.448 0.000 -19.808) 20.301 4.570 ( 4.448 0.000 -19.808) 20.301 4.971 ( -5.099 0.000 0.255) 5.106 4.971 ( 5.099 0.000 0.255) 5.106 5.224 ( -5.816 0.000 5.309) 7.874 5.224 ( 5.816 0.000 5.309) 7.874 5.429 ( -0.977 0.000 -3.453) 3.589 5.429 ( 0.977 0.000 -3.453) 3.589 5.832 ( -3.227 0.000 -13.651) 14.027 5.832 ( 3.227 0.000 -13.651) 14.027 6.013 ( -2.869 0.000 -0.035) 2.870 6.013 ( 2.869 0.000 -0.035) 2.870 6.352 ( -4.634 0.000 11.826) 12.702 6.352 ( 4.634 0.000 11.826) 12.702 6.679 ( -1.262 0.000 -4.809) 4.972 6.679 ( 1.262 0.000 -4.809) 4.972 7.143 ( -3.381 0.000 4.300) 5.470 7.143 ( 3.381 0.000 4.300) 5.470 7.929 ( -12.480 0.000 3.684) 13.013 7.929 ( 12.480 0.000 3.684) 13.013 7.988 ( -4.787 0.000 1.030) 4.897 7.988 ( 4.787 0.000 1.030) 4.897 8.763 ( -2.270 0.000 -10.153) 10.404 8.763 ( 2.270 0.000 -10.153) 10.404 8.893 ( -12.933 0.000 -8.834) 15.662 8.893 ( 12.933 0.000 -8.834) 15.662 9.800 ( -1.718 0.000 -6.850) 7.062 9.800 ( 1.718 0.000 -6.850) 7.062 10.240 ( -1.555 0.000 4.370) 4.639 10.240 ( 1.555 0.000 4.370) 4.639 10.544 ( -7.891 0.000 3.782) 8.750 10.544 ( 7.891 0.000 3.782) 8.750 11.067 ( -7.908 0.000 -11.689) 14.113 11.067 ( 7.908 0.000 -11.689) 14.113 11.221 ( -1.052 0.000 -13.953) 13.993 11.221 ( 1.052 0.000 -13.953) 13.993 11.464 ( -1.543 0.000 8.807) 8.941 11.464 ( 1.543 0.000 8.807) 8.941 12.114 ( -2.217 0.000 4.376) 4.906 12.114 ( 2.217 0.000 4.376) 4.906 12.617 ( -0.542 0.000 -4.050) 4.086 12.617 ( 0.542 0.000 -4.050) 4.086 13.271 ( -4.579 0.000 7.315) 8.630 13.271 ( 4.579 0.000 7.315) 8.630 13.573 ( -14.974 0.000 14.536) 20.869 13.573 ( 14.974 0.000 14.536) 20.869 18.776 ( -3.281 0.000 3.993) 5.168 18.776 ( 3.281 0.000 3.993) 5.168 19.208 ( -0.378 0.000 2.596) 2.624 19.208 ( 0.378 0.000 2.596) 2.624 19.674 ( -0.836 0.000 -3.139) 3.249 19.674 ( 0.836 0.000 -3.139) 3.249 19.871 ( -15.206 0.000 -16.492) 22.433 19.871 ( 15.206 0.000 -16.492) 22.433 20.900 ( -0.457 0.000 0.780) 0.904 20.900 ( 0.457 0.000 0.780) 0.904 21.019 ( -0.494 0.000 0.776) 0.920 21.019 ( 0.494 0.000 0.776) 0.920 21.506 ( -0.547 0.000 6.078) 6.102 21.506 ( 0.547 0.000 6.078) 6.102 22.125 ( -13.528 0.000 12.589) 18.479 22.125 ( 13.528 0.000 12.589) 18.479 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 7.565 21.978) 23.244 1.114 ( 0.000 16.989 19.124) 25.581 1.267 ( 0.000 13.500 3.780) 14.019 1.813 ( 0.000 6.860 -3.586) 7.741 1.861 ( 0.000 -2.636 -2.422) 3.580 2.187 ( 0.000 3.176 5.551) 6.395 2.252 ( 0.000 0.272 6.263) 6.269 2.259 ( 0.000 10.551 20.731) 23.261 2.347 ( 0.000 14.794 18.691) 23.838 2.490 ( 0.000 -1.466 -7.505) 7.646 2.615 ( 0.000 3.044 -8.720) 9.236 2.702 ( 0.000 -4.006 -4.120) 5.747 2.815 ( 0.000 9.122 -3.601) 9.807 2.858 ( 0.000 2.524 -8.671) 9.031 3.007 ( 0.000 0.806 -2.286) 2.424 3.238 ( 0.000 -4.526 3.877) 5.960 3.246 ( 0.000 -1.207 1.102) 1.634 3.407 ( 0.000 -5.880 1.022) 5.968 3.414 ( 0.000 -2.184 3.517) 4.140 3.555 ( 0.000 -0.693 1.934) 2.055 3.625 ( 0.000 2.955 7.097) 7.687 4.149 ( 0.000 2.059 -5.896) 6.245 4.388 ( 0.000 5.223 -5.214) 7.380 4.575 ( 0.000 0.308 -5.310) 5.319 4.929 ( 0.000 0.056 -10.988) 10.988 5.132 ( 0.000 -2.524 -3.381) 4.219 5.209 ( 0.000 8.425 6.699) 10.764 5.330 ( 0.000 -1.309 -10.483) 10.565 5.412 ( 0.000 -4.253 -2.060) 4.726 5.476 ( 0.000 8.178 1.558) 8.325 5.556 ( 0.000 4.364 -1.795) 4.719 5.601 ( 0.000 -1.444 -7.450) 7.589 6.012 ( 0.000 3.455 -2.910) 4.517 6.083 ( 0.000 -3.609 0.118) 3.611 6.283 ( 0.000 -0.991 3.804) 3.931 6.529 ( 0.000 -7.391 10.404) 12.763 6.626 ( 0.000 -0.685 -2.364) 2.461 6.656 ( 0.000 -3.986 -3.453) 5.273 7.082 ( 0.000 -2.010 2.939) 3.561 7.257 ( 0.000 -7.784 3.626) 8.587 7.570 ( 0.000 -1.916 3.544) 4.029 7.931 ( 0.000 4.060 1.756) 4.423 8.202 ( 0.000 -11.384 -12.268) 16.736 8.324 ( 0.000 0.698 1.187) 1.377 8.372 ( 0.000 3.893 3.848) 5.474 8.771 ( 0.000 9.493 -8.391) 12.670 8.787 ( 0.000 1.020 -8.269) 8.332 9.194 ( 0.000 -8.945 -18.190) 20.270 9.722 ( 0.000 -0.331 -0.751) 0.821 9.995 ( 0.000 9.514 -10.705) 14.322 10.098 ( 0.000 3.355 0.081) 3.356 10.269 ( 0.000 -1.391 6.437) 6.585 10.303 ( 0.000 8.638 -1.555) 8.777 10.675 ( 0.000 7.640 15.052) 16.880 10.773 ( 0.000 0.363 -1.111) 1.169 11.021 ( 0.000 8.355 -9.020) 12.295 11.348 ( 0.000 -0.937 -5.139) 5.224 11.366 ( 0.000 -4.486 10.413) 11.338 11.453 ( 0.000 -3.898 6.989) 8.003 11.519 ( 0.000 8.470 -21.230) 22.857 12.069 ( 0.000 -2.908 5.965) 6.636 12.232 ( 0.000 -3.603 -2.298) 4.273 12.584 ( 0.000 -1.888 -3.555) 4.025 12.618 ( 0.000 -1.560 -5.504) 5.721 13.122 ( 0.000 -0.387 9.598) 9.606 13.231 ( 0.000 -0.470 13.215) 13.223 13.391 ( 0.000 -0.280 6.605) 6.611 14.034 ( 0.000 -19.048 6.194) 20.029 18.685 ( 0.000 0.342 2.939) 2.959 18.859 ( 0.000 0.115 4.048) 4.050 19.160 ( 0.000 -7.135 -1.144) 7.226 19.173 ( 0.000 -3.991 2.821) 4.887 19.481 ( 0.000 24.322 -7.101) 25.337 19.729 ( 0.000 7.967 -3.455) 8.684 19.814 ( 0.000 10.462 -3.685) 11.092 20.273 ( 0.000 5.160 -13.991) 14.912 20.885 ( 0.000 -0.670 0.506) 0.840 20.913 ( 0.000 -0.290 0.773) 0.825 20.988 ( 0.000 -1.515 0.902) 1.763 21.020 ( 0.000 -1.135 0.088) 1.138 21.490 ( 0.000 0.736 4.733) 4.790 21.510 ( 0.000 -0.444 8.764) 8.775 21.820 ( 0.000 -2.908 10.411) 10.810 22.549 ( 0.000 -18.750 3.178) 19.017 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.762 10.124 19.477) 22.694 1.213 ( 7.792 11.255 14.577) 19.997 1.305 ( 2.427 12.278 5.963) 13.864 1.724 ( -10.977 -1.077 2.135) 11.235 1.792 ( -2.057 6.943 -1.073) 7.320 1.999 ( -11.175 6.643 7.753) 15.136 2.298 ( 10.616 2.669 6.224) 12.592 2.438 ( 4.384 5.433 7.145) 9.989 2.486 ( 3.800 2.472 -1.903) 4.917 2.513 ( 4.694 5.570 3.767) 8.200 2.654 ( 3.961 2.385 -3.623) 5.874 2.716 ( 3.200 -1.895 -1.777) 4.121 2.743 ( -2.503 6.985 -5.496) 9.233 2.914 ( 2.136 5.991 -1.043) 6.446 3.004 ( -2.263 -1.053 2.081) 3.250 3.224 ( 0.568 -3.770 -0.269) 3.822 3.302 ( 2.524 1.596 5.643) 6.384 3.382 ( -0.631 -6.151 1.984) 6.493 3.419 ( 0.597 -2.722 1.157) 3.017 3.536 ( -1.648 0.588 2.666) 3.188 3.643 ( -0.349 1.279 3.148) 3.415 3.857 ( -18.247 4.085 5.159) 19.397 4.491 ( 4.636 3.015 -17.705) 18.549 4.593 ( 1.630 -0.812 -9.842) 10.009 4.916 ( -0.573 0.527 -9.026) 9.059 5.074 ( -4.944 -1.659 -1.593) 5.453 5.229 ( 2.377 8.648 8.314) 12.230 5.375 ( 0.896 0.286 -6.200) 6.271 5.421 ( 0.280 -1.775 -1.121) 2.118 5.445 ( -2.192 6.120 0.026) 6.501 5.623 ( 7.087 -0.755 -7.216) 10.142 5.684 ( 4.803 -5.032 -6.587) 9.581 6.033 ( 1.512 3.481 -4.638) 5.992 6.057 ( -1.624 -2.680 -0.203) 3.141 6.298 ( 1.066 -0.640 5.263) 5.408 6.449 ( -6.023 -5.323 10.021) 12.847 6.638 ( 1.047 -0.896 -2.134) 2.540 6.664 ( 0.385 -3.172 -3.152) 4.488 7.084 ( 0.460 -2.019 3.242) 3.847 7.198 ( -4.160 -5.335 5.063) 8.450 7.664 ( 8.066 -1.792 3.484) 8.967 7.950 ( 1.332 3.487 0.816) 3.821 8.130 ( -4.815 -2.338 -5.565) 7.722 8.188 ( -9.731 -0.321 1.404) 9.837 8.487 ( 7.415 -3.653 -2.022) 8.509 8.747 ( -2.412 -2.366 -7.556) 8.277 8.860 ( 5.281 8.977 -9.293) 13.958 9.128 ( -5.162 -3.463 -14.966) 16.206 9.751 ( 2.319 -0.132 -2.985) 3.782 9.900 ( -4.516 5.648 -6.314) 9.600 10.161 ( 1.934 -1.078 0.847) 2.371 10.223 ( -1.485 -1.424 3.734) 4.264 10.452 ( 8.172 8.107 0.797) 11.539 10.707 ( -2.228 2.957 3.675) 5.217 10.846 ( 10.980 4.891 1.886) 12.167 11.093 ( 6.108 9.902 -12.063) 16.759 11.281 ( -4.519 -3.172 -1.121) 5.633 11.402 ( 1.359 -2.700 4.804) 5.676 11.437 ( -1.896 -1.864 0.640) 2.735 11.468 ( -4.133 6.967 -14.034) 16.204 12.063 ( -0.245 -3.283 5.758) 6.633 12.166 ( -4.735 -3.298 0.485) 5.791 12.589 ( 0.435 -1.842 -3.840) 4.282 12.612 ( -0.450 -1.739 -5.169) 5.473 13.172 ( 3.858 -0.092 8.534) 9.367 13.304 ( 6.287 -1.418 14.049) 15.457 13.359 ( -2.569 -0.345 6.693) 7.177 13.838 ( -14.528 -12.514 11.514) 22.366 18.713 ( 2.347 0.381 3.228) 4.009 18.840 ( -1.895 0.159 4.275) 4.679 19.164 ( 0.253 -5.424 0.648) 5.468 19.173 ( -0.078 -4.180 2.621) 4.935 19.617 ( 9.244 15.164 -10.596) 20.680 19.732 ( 0.175 7.739 -3.593) 8.534 19.833 ( 2.697 12.220 -5.820) 13.801 20.200 ( -6.464 6.464 -14.869) 17.454 20.887 ( 0.231 -0.615 0.592) 0.884 20.907 ( -0.472 -0.395 0.789) 1.001 20.995 ( 0.500 -1.396 0.821) 1.695 21.017 ( -0.305 -1.159 0.261) 1.226 21.496 ( 0.439 0.505 5.305) 5.347 21.510 ( -0.029 -0.305 7.787) 7.793 21.876 ( 5.153 -3.607 11.477) 13.088 22.359 ( -13.967 -13.111 8.886) 21.117 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -4.932 12.108 10.498) 16.767 1.285 ( 4.932 12.108 10.498) 16.767 1.446 ( -12.132 2.997 10.158) 16.104 1.446 ( 12.132 2.997 10.158) 16.104 1.808 ( -4.818 6.969 4.995) 9.835 1.808 ( 4.818 6.969 4.995) 9.835 2.475 ( -0.661 1.237 -6.799) 6.942 2.475 ( 0.661 1.237 -6.799) 6.942 2.514 ( -4.891 1.947 -4.641) 7.018 2.514 ( 4.891 1.947 -4.641) 7.018 2.744 ( -1.375 3.270 -1.835) 3.994 2.744 ( 1.375 3.270 -1.835) 3.994 2.872 ( -6.736 1.702 5.553) 8.894 2.872 ( 6.736 1.702 5.553) 8.894 3.072 ( -12.901 6.051 14.664) 20.447 3.072 ( 12.901 6.051 14.664) 20.447 3.398 ( -4.339 -3.255 -0.740) 5.474 3.398 ( 4.339 -3.255 -0.740) 5.474 3.448 ( -6.449 -1.516 2.179) 6.974 3.448 ( 6.449 -1.516 2.179) 6.974 3.611 ( -2.649 1.753 1.790) 3.647 3.611 ( 2.649 1.753 1.790) 3.647 4.586 ( -3.125 0.900 -18.556) 18.839 4.586 ( 3.125 0.900 -18.556) 18.839 4.950 ( -4.394 -0.610 -2.220) 4.961 4.950 ( 4.394 -0.610 -2.220) 4.961 5.319 ( -4.790 7.894 5.325) 10.659 5.319 ( 4.790 7.894 5.325) 10.659 5.424 ( -0.426 -0.524 -2.939) 3.016 5.424 ( 0.426 -0.524 -2.939) 3.016 5.741 ( -1.130 -6.941 -9.358) 11.706 5.741 ( 1.130 -6.941 -9.358) 11.706 6.046 ( -0.813 0.798 -3.934) 4.096 6.046 ( 0.813 0.798 -3.934) 4.096 6.334 ( -3.004 -1.169 9.370) 9.909 6.334 ( 3.004 -1.169 9.370) 9.909 6.661 ( -0.727 -1.784 -2.400) 3.077 6.661 ( 0.727 -1.784 -2.400) 3.077 7.116 ( -2.642 -2.779 4.513) 5.922 7.116 ( 2.642 -2.779 4.513) 5.922 7.890 ( -10.292 -2.437 1.911) 10.748 7.890 ( 10.292 -2.437 1.911) 10.748 8.043 ( -1.745 3.575 -0.351) 3.994 8.043 ( 1.745 3.575 -0.351) 3.994 8.648 ( -6.287 -6.734 -5.887) 10.933 8.648 ( 6.287 -6.734 -5.887) 10.933 8.994 ( -6.352 5.656 -11.101) 13.984 8.994 ( 6.352 5.656 -11.101) 13.984 9.815 ( -3.298 1.645 -5.259) 6.421 9.815 ( 3.298 1.645 -5.259) 6.421 10.193 ( -1.327 -2.931 3.439) 4.710 10.193 ( 1.327 -2.931 3.439) 4.710 10.608 ( -5.859 5.489 2.873) 8.527 10.608 ( 5.859 5.489 2.873) 8.527 11.117 ( -9.947 0.764 -3.625) 10.615 11.117 ( 9.947 0.764 -3.625) 10.615 11.284 ( -9.263 9.498 -18.104) 22.445 11.284 ( 9.263 9.498 -18.104) 22.445 11.427 ( -0.848 -3.447 6.684) 7.568 11.427 ( 0.848 -3.447 6.684) 7.568 12.080 ( -2.252 -3.336 4.395) 5.960 12.080 ( 2.252 -3.336 4.395) 5.960 12.601 ( -0.553 -1.815 -4.492) 4.876 12.601 ( 0.553 -1.815 -4.492) 4.876 13.270 ( -4.522 -0.006 7.486) 8.746 13.270 ( 4.522 -0.006 7.486) 8.746 13.520 ( -12.404 -4.922 14.737) 19.881 13.520 ( 12.404 -4.922 14.737) 19.881 18.779 ( -3.227 0.366 3.894) 5.070 18.779 ( 3.227 0.366 3.894) 5.070 19.169 ( -0.217 -4.310 2.105) 4.801 19.169 ( 0.217 -4.310 2.105) 4.801 19.728 ( -1.037 7.387 -4.830) 8.887 19.728 ( 1.037 7.387 -4.830) 8.887 20.001 ( -10.506 10.982 -14.869) 21.262 20.001 ( 10.506 10.982 -14.869) 21.262 20.895 ( -0.502 -0.519 0.739) 1.033 20.895 ( 0.502 -0.519 0.739) 1.033 21.007 ( -0.544 -1.240 0.587) 1.476 21.007 ( 0.544 -1.240 0.587) 1.476 21.506 ( -0.355 0.053 6.342) 6.353 21.506 ( 0.355 0.053 6.342) 6.353 22.059 ( -11.329 -6.455 12.632) 18.154 22.059 ( 11.329 -6.455 12.632) 18.154 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 13.144 17.310) 21.735 1.402 ( 0.000 12.968 17.924) 22.123 1.560 ( 0.000 15.684 1.987) 15.809 1.858 ( 0.000 1.902 -4.409) 4.802 1.957 ( 0.000 5.991 -0.488) 6.010 2.219 ( 0.000 -2.390 7.280) 7.662 2.283 ( 0.000 6.668 5.226) 8.471 2.463 ( 0.000 -2.840 -2.408) 3.724 2.489 ( 0.000 8.817 2.096) 9.062 2.643 ( 0.000 -0.808 -4.721) 4.789 2.690 ( 0.000 20.086 21.098) 29.130 2.703 ( 0.000 4.423 -11.557) 12.374 2.863 ( 0.000 0.211 1.034) 1.056 2.937 ( 0.000 2.201 -2.835) 3.590 3.061 ( 0.000 4.206 -2.168) 4.732 3.171 ( 0.000 -1.970 1.198) 2.306 3.200 ( 0.000 -1.950 -0.227) 1.964 3.325 ( 0.000 -5.292 4.918) 7.224 3.368 ( 0.000 1.436 -0.901) 1.696 3.555 ( 0.000 1.959 5.101) 5.464 3.698 ( 0.000 4.112 4.879) 6.381 4.229 ( 0.000 6.392 -4.368) 7.742 4.443 ( 0.000 -0.815 -10.166) 10.199 4.581 ( 0.000 -0.212 -2.630) 2.638 4.999 ( 0.000 6.606 -16.517) 17.789 5.106 ( 0.000 -0.838 -1.220) 1.480 5.193 ( 0.000 -4.636 -4.553) 6.498 5.299 ( 0.000 -5.622 -1.725) 5.881 5.447 ( 0.000 7.125 -0.403) 7.136 5.556 ( 0.000 -1.998 -4.723) 5.128 5.651 ( 0.000 6.072 1.195) 6.188 5.669 ( 0.000 9.730 -0.789) 9.762 5.991 ( 0.000 -5.489 -1.628) 5.725 6.002 ( 0.000 -5.628 -5.914) 8.164 6.248 ( 0.000 -3.040 -2.498) 3.934 6.416 ( 0.000 -3.733 6.414) 7.421 6.573 ( 0.000 -3.097 1.723) 3.544 6.619 ( 0.000 0.453 4.644) 4.666 7.021 ( 0.000 -4.535 2.580) 5.218 7.102 ( 0.000 -8.061 8.743) 11.892 7.551 ( 0.000 -0.118 0.143) 0.186 7.958 ( 0.000 -8.553 -7.068) 11.095 8.072 ( 0.000 5.339 -6.553) 8.453 8.344 ( 0.000 1.407 0.014) 1.407 8.435 ( 0.000 1.954 2.781) 3.399 8.823 ( 0.000 1.922 -7.790) 8.023 8.922 ( 0.000 5.965 -3.531) 6.932 8.989 ( 0.000 -10.797 -15.512) 18.900 9.760 ( 0.000 4.918 -1.006) 5.020 10.075 ( 0.000 1.157 -2.945) 3.164 10.176 ( 0.000 4.769 0.323) 4.780 10.269 ( 0.000 1.778 5.593) 5.869 10.500 ( 0.000 6.690 -13.387) 14.966 10.779 ( 0.000 1.551 1.437) 2.115 10.862 ( 0.000 11.415 12.540) 16.957 11.057 ( 0.000 -7.779 0.768) 7.816 11.250 ( 0.000 -7.345 9.347) 11.887 11.359 ( 0.000 0.057 -0.070) 0.090 11.507 ( 0.000 13.776 -8.644) 16.264 11.725 ( 0.000 12.422 -17.328) 21.320 11.993 ( 0.000 -4.602 5.579) 7.232 12.135 ( 0.000 -6.421 -2.891) 7.042 12.523 ( 0.000 -4.669 -5.050) 6.878 12.563 ( 0.000 -4.580 -6.825) 8.219 13.117 ( 0.000 0.057 10.041) 10.041 13.216 ( 0.000 -1.162 12.396) 12.451 13.388 ( 0.000 0.114 7.642) 7.643 13.703 ( 0.000 -13.953 13.939) 19.723 18.699 ( 0.000 1.188 2.440) 2.714 18.864 ( 0.000 0.428 3.722) 3.746 19.021 ( 0.000 -6.884 0.260) 6.889 19.085 ( 0.000 -4.794 3.473) 5.920 19.930 ( 0.000 12.528 -4.404) 13.279 19.949 ( 0.000 22.440 -14.339) 26.630 20.040 ( 0.000 12.534 -4.532) 13.329 20.385 ( 0.000 5.718 -13.059) 14.256 20.864 ( 0.000 -1.413 0.684) 1.570 20.901 ( 0.000 -1.020 0.186) 1.037 20.944 ( 0.000 -3.105 0.725) 3.189 20.987 ( 0.000 -2.307 -0.459) 2.353 21.502 ( 0.000 -0.117 8.805) 8.806 21.515 ( 0.000 1.970 5.908) 6.227 21.745 ( 0.000 -4.788 9.881) 10.980 22.175 ( 0.000 -18.625 10.917) 21.589 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 5.026 11.800 15.977) 20.488 1.466 ( 5.177 12.642 14.268) 19.754 1.576 ( 1.038 14.739 2.552) 14.994 1.753 ( -8.727 3.669 1.856) 9.647 1.925 ( -2.147 5.612 2.177) 6.391 2.090 ( -9.047 3.248 9.765) 13.702 2.348 ( 4.804 2.445 -0.100) 5.391 2.440 ( 3.518 -3.124 -3.264) 5.726 2.551 ( -5.009 -0.887 -6.530) 8.278 2.644 ( 5.314 6.805 -0.468) 8.647 2.726 ( -0.115 3.016 -8.804) 9.307 2.794 ( 4.610 5.640 6.300) 9.631 2.864 ( 0.604 6.768 -3.151) 7.490 2.958 ( 3.816 4.899 11.797) 13.331 3.096 ( 2.693 7.786 0.378) 8.247 3.173 ( 0.903 -1.510 -0.833) 1.946 3.255 ( 3.839 -1.863 0.061) 4.267 3.304 ( 0.357 -4.453 4.654) 6.451 3.403 ( 2.248 2.290 2.802) 4.260 3.545 ( -1.727 0.863 4.617) 5.005 3.687 ( -1.304 3.489 2.727) 4.616 3.990 ( -16.691 9.897 5.604) 20.198 4.518 ( 3.256 -1.213 -14.453) 14.865 4.565 ( 0.479 -2.394 -7.635) 8.016 4.978 ( -1.321 5.295 -14.929) 15.895 5.056 ( -4.259 -0.703 -2.528) 5.003 5.292 ( 6.732 -2.855 -3.141) 7.959 5.328 ( 2.303 -4.408 -1.717) 5.262 5.434 ( -1.034 4.460 0.095) 4.580 5.566 ( -0.982 -0.488 -3.231) 3.412 5.630 ( -0.723 4.549 -0.708) 4.660 5.668 ( 0.234 6.000 -2.239) 6.408 5.976 ( -0.073 -4.794 -2.194) 5.273 6.024 ( 0.625 -5.096 -4.647) 6.925 6.272 ( 1.872 -2.590 -1.689) 3.615 6.377 ( -2.835 -2.185 4.937) 6.098 6.598 ( 1.729 -2.473 2.130) 3.694 6.627 ( 0.535 0.239 4.564) 4.602 7.022 ( 0.201 -4.635 3.199) 5.635 7.078 ( -1.873 -7.017 7.882) 10.718 7.641 ( 7.580 -0.465 0.026) 7.594 7.999 ( 3.007 -6.623 -6.632) 9.843 8.035 ( -3.998 2.079 -6.583) 7.977 8.201 ( -8.329 1.351 0.030) 8.438 8.498 ( 3.361 2.477 1.272) 4.365 8.722 ( -6.194 1.193 -3.606) 7.266 8.995 ( 3.701 4.349 -7.559) 9.474 9.024 ( 2.206 -7.093 -13.811) 15.682 9.791 ( 2.626 4.940 -1.178) 5.717 9.993 ( -5.679 4.016 -2.456) 7.377 10.172 ( -0.184 3.000 1.191) 3.233 10.225 ( -2.525 1.624 2.382) 3.832 10.600 ( 5.817 4.613 -6.219) 9.685 10.760 ( -1.696 2.347 0.994) 3.062 10.924 ( 5.298 2.735 8.904) 10.716 11.116 ( 2.143 -6.168 2.449) 6.974 11.250 ( 2.334 -6.066 6.910) 9.487 11.384 ( 1.941 1.831 -1.023) 2.857 11.498 ( -0.827 14.423 -11.027) 18.174 11.678 ( -4.497 12.374 -16.624) 21.206 11.976 ( -0.597 -5.398 4.897) 7.313 12.087 ( -3.757 -4.593 0.029) 5.934 12.529 ( 0.451 -4.724 -5.321) 7.130 12.553 ( -0.620 -4.704 -6.473) 8.026 13.171 ( 4.119 0.090 8.991) 9.890 13.269 ( 4.761 -2.049 13.159) 14.143 13.356 ( -2.790 0.109 7.657) 8.150 13.606 ( -7.630 -10.346 14.537) 19.405 18.727 ( 2.342 1.172 2.788) 3.825 18.848 ( -1.648 0.761 4.097) 4.481 19.036 ( 1.219 -6.902 0.439) 7.022 19.081 ( -0.415 -5.084 3.071) 5.954 19.933 ( 0.223 12.652 -4.590) 13.461 19.948 ( -0.221 17.112 -9.170) 19.415 20.094 ( 4.577 14.281 -10.297) 18.191 20.338 ( -4.009 7.141 -13.653) 15.921 20.868 ( 0.300 -1.398 0.705) 1.594 20.892 ( -0.660 -1.297 0.452) 1.524 20.955 ( 0.756 -2.741 0.445) 2.877 20.984 ( -0.356 -2.333 -0.288) 2.378 21.506 ( 0.272 0.159 8.259) 8.265 21.515 ( -0.027 1.551 6.201) 6.392 21.785 ( 3.612 -5.692 10.747) 12.687 22.080 ( -7.379 -14.748 11.970) 20.378 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -9.266 9.577 12.211) 18.074 1.508 ( 9.266 9.577 12.211) 18.074 1.583 ( -3.763 11.320 4.191) 12.644 1.583 ( 3.763 11.320 4.191) 12.644 1.926 ( -3.875 5.100 8.799) 10.883 1.926 ( 3.875 5.100 8.799) 10.883 2.442 ( -4.179 -2.609 -4.783) 6.866 2.442 ( 4.179 -2.609 -4.783) 6.866 2.591 ( -7.193 0.801 -6.894) 9.995 2.591 ( 7.193 0.801 -6.894) 9.995 2.774 ( -3.455 1.765 -2.417) 4.571 2.774 ( 3.455 1.765 -2.417) 4.571 2.957 ( -5.519 6.935 -0.308) 8.869 2.957 ( 5.519 6.935 -0.308) 8.869 3.182 ( -3.248 0.796 5.899) 6.781 3.182 ( 3.248 0.796 5.899) 6.781 3.360 ( -4.210 3.083 5.909) 7.884 3.360 ( 4.210 3.083 5.909) 7.884 3.454 ( -6.283 1.781 4.345) 7.844 3.454 ( 6.283 1.781 4.345) 7.844 3.682 ( -5.047 7.321 4.624) 10.022 3.682 ( 5.047 7.321 4.624) 10.022 4.572 ( -1.404 -2.822 -12.511) 12.902 4.572 ( 1.404 -2.822 -12.511) 12.902 4.973 ( -1.770 2.476 -8.547) 9.072 4.973 ( 1.770 2.476 -8.547) 9.072 5.382 ( -1.911 -3.189 -4.283) 5.671 5.382 ( 1.911 -3.189 -4.283) 5.671 5.460 ( -6.258 3.674 3.036) 7.866 5.460 ( 6.258 3.674 3.036) 7.866 5.659 ( -1.426 0.776 -4.576) 4.855 5.659 ( 1.426 0.776 -4.576) 4.855 6.005 ( -2.040 -4.267 -3.079) 5.644 6.005 ( 2.040 -4.267 -3.079) 5.644 6.319 ( -2.253 -1.374 1.210) 2.903 6.319 ( 2.253 -1.374 1.210) 2.903 6.628 ( -0.680 -0.855 3.677) 3.836 6.628 ( 0.680 -0.855 3.677) 3.836 7.038 ( -1.362 -5.432 5.341) 7.739 7.038 ( 1.362 -5.432 5.341) 7.739 7.856 ( -10.610 -0.966 -1.317) 10.735 7.856 ( 10.610 -0.966 -1.317) 10.735 8.073 ( -3.656 -1.232 -5.351) 6.596 8.073 ( 3.656 -1.232 -5.351) 6.596 8.591 ( -5.173 1.553 -0.595) 5.434 8.591 ( 5.173 1.553 -0.595) 5.434 9.047 ( -0.643 -0.579 -10.830) 10.865 9.047 ( 0.643 -0.579 -10.830) 10.865 9.873 ( -4.653 4.981 -1.735) 7.033 9.873 ( 4.653 4.981 -1.735) 7.033 10.181 ( -1.185 1.809 1.806) 2.818 10.181 ( 1.185 1.809 1.806) 2.818 10.703 ( -3.441 3.327 -0.513) 4.814 10.703 ( 3.441 3.327 -0.513) 4.814 11.058 ( -5.567 -6.322 6.236) 10.481 11.058 ( 5.567 -6.322 6.236) 10.481 11.373 ( -4.762 -0.511 1.924) 5.161 11.373 ( 4.762 -0.511 1.924) 5.161 11.539 ( -6.104 14.238 -16.522) 22.649 11.539 ( 6.104 14.238 -16.522) 22.649 12.003 ( -3.028 -3.986 3.361) 6.029 12.003 ( 3.028 -3.986 3.361) 6.029 12.540 ( -0.543 -4.762 -5.875) 7.582 12.540 ( 0.543 -4.762 -5.875) 7.582 13.272 ( -4.465 0.184 8.072) 9.227 13.272 ( 4.465 0.184 8.072) 9.227 13.419 ( -8.183 -5.029 14.267) 17.199 13.419 ( 8.183 -5.029 14.267) 17.199 18.792 ( -3.102 1.070 3.618) 4.884 18.792 ( 3.102 1.070 3.618) 4.884 19.064 ( -1.098 -6.004 1.840) 6.375 19.064 ( 1.098 -6.004 1.840) 6.375 19.940 ( -0.429 13.533 -5.559) 14.636 19.940 ( 0.429 13.533 -5.559) 14.636 20.220 ( -6.081 11.056 -13.937) 18.801 20.220 ( 6.081 11.056 -13.937) 18.801 20.877 ( -0.579 -1.397 0.675) 1.656 20.877 ( 0.579 -1.397 0.675) 1.656 20.972 ( -0.685 -2.450 0.069) 2.545 20.972 ( 0.685 -2.450 0.069) 2.545 21.512 ( -0.234 0.781 7.097) 7.144 21.512 ( 0.234 0.781 7.097) 7.144 21.906 ( -7.143 -8.902 12.188) 16.698 21.906 ( 7.143 -8.902 12.188) 16.698 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.000 13.417 11.783) 17.856 1.635 ( 0.000 11.716 12.804) 17.355 1.806 ( 0.000 9.113 0.862) 9.153 1.891 ( 0.000 1.004 -1.565) 1.859 2.004 ( 0.000 -1.063 4.703) 4.822 2.157 ( 0.000 -5.334 3.538) 6.401 2.397 ( 0.000 -1.138 5.128) 5.253 2.459 ( 0.000 11.181 6.048) 12.712 2.567 ( 0.000 2.472 -1.508) 2.896 2.667 ( 0.000 -7.634 -5.151) 9.210 2.705 ( 0.000 2.820 -1.473) 3.182 2.726 ( 0.000 -1.526 -10.721) 10.829 2.908 ( 0.000 -3.895 -1.202) 4.077 3.009 ( 0.000 -9.755 6.013) 11.459 3.105 ( 0.000 4.889 0.441) 4.909 3.220 ( 0.000 1.649 0.105) 1.653 3.310 ( 0.000 13.444 4.461) 14.165 3.361 ( 0.000 17.155 9.803) 19.758 3.378 ( 0.000 0.306 -2.761) 2.778 3.641 ( 0.000 5.028 2.773) 5.742 3.773 ( 0.000 4.417 3.292) 5.509 4.335 ( 0.000 -11.517 -3.937) 12.171 4.365 ( 0.000 6.622 -5.087) 8.350 4.533 ( 0.000 -4.799 -1.387) 4.996 5.066 ( 0.000 -1.137 -8.334) 8.411 5.101 ( 0.000 -0.976 -6.055) 6.133 5.162 ( 0.000 6.214 -19.733) 20.688 5.276 ( 0.000 1.373 -1.544) 2.067 5.528 ( 0.000 -0.079 -1.933) 1.935 5.537 ( 0.000 3.480 1.665) 3.858 5.706 ( 0.000 -4.601 1.654) 4.889 5.745 ( 0.000 -4.728 -3.843) 6.092 5.919 ( 0.000 2.311 -3.088) 3.857 5.975 ( 0.000 6.768 -1.985) 7.053 6.161 ( 0.000 -5.954 -4.715) 7.594 6.313 ( 0.000 -7.643 -2.386) 8.007 6.603 ( 0.000 5.618 7.168) 9.108 6.661 ( 0.000 4.239 9.893) 10.763 6.908 ( 0.000 -7.234 2.735) 7.734 6.947 ( 0.000 -8.384 10.026) 13.069 7.570 ( 0.000 2.313 -3.930) 4.561 7.779 ( 0.000 -8.626 -9.658) 12.949 8.236 ( 0.000 10.370 -5.694) 11.831 8.375 ( 0.000 1.804 -1.401) 2.285 8.439 ( 0.000 -1.140 -0.052) 1.142 8.698 ( 0.000 -12.625 -10.414) 16.365 8.951 ( 0.000 3.816 -7.464) 8.383 8.999 ( 0.000 2.225 -1.289) 2.571 9.901 ( 0.000 8.989 -1.008) 9.046 10.086 ( 0.000 -0.013 0.238) 0.238 10.280 ( 0.000 6.106 -1.792) 6.363 10.339 ( 0.000 5.720 6.612) 8.742 10.502 ( 0.000 -4.260 -8.215) 9.254 10.749 ( 0.000 -10.776 10.564) 15.091 10.918 ( 0.000 -0.044 -6.165) 6.165 11.059 ( 0.000 2.293 8.509) 8.812 11.135 ( 0.000 2.237 9.215) 9.482 11.368 ( 0.000 0.158 6.032) 6.035 11.764 ( 0.000 7.253 -8.770) 11.381 11.953 ( 0.000 6.472 -7.568) 9.958 11.972 ( 0.000 6.931 -2.312) 7.306 12.010 ( 0.000 -1.828 -9.264) 9.442 12.404 ( 0.000 -7.823 -7.377) 10.753 12.437 ( 0.000 -8.697 -8.727) 12.320 13.128 ( 0.000 1.056 10.480) 10.533 13.188 ( 0.000 -1.694 11.560) 11.684 13.399 ( 0.000 1.046 9.280) 9.339 13.514 ( 0.000 -6.489 13.646) 15.110 18.732 ( 0.000 2.344 1.775) 2.940 18.858 ( 0.000 -2.330 0.933) 2.510 18.926 ( 0.000 -1.739 3.985) 4.348 19.002 ( 0.000 -3.791 4.142) 5.615 20.176 ( 0.000 12.613 -5.657) 13.824 20.264 ( 0.000 10.273 -6.053) 11.923 20.285 ( 0.000 12.284 -13.486) 18.242 20.454 ( 0.000 0.507 -11.134) 11.146 20.843 ( 0.000 -0.281 0.394) 0.484 20.872 ( 0.000 -2.016 -0.558) 2.091 20.877 ( 0.000 -3.443 0.696) 3.513 20.934 ( 0.000 -3.260 -0.956) 3.398 21.513 ( 0.000 1.436 8.798) 8.914 21.570 ( 0.000 3.955 7.482) 8.463 21.650 ( 0.000 -4.878 9.518) 10.695 21.875 ( 0.000 -12.829 11.788) 17.423 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.666 12.006 10.616) 16.246 1.688 ( 4.244 10.472 9.506) 14.767 1.804 ( -0.376 7.968 0.282) 7.982 1.832 ( -5.384 3.919 2.405) 7.080 1.972 ( -1.403 -0.161 6.737) 6.883 2.152 ( -3.275 2.326 6.608) 7.733 2.296 ( -2.308 -5.744 3.748) 7.237 2.479 ( 1.206 6.073 2.841) 6.812 2.531 ( -5.468 -0.117 -3.111) 6.292 2.630 ( -2.457 -6.781 -5.624) 9.146 2.704 ( 3.860 -1.931 -3.982) 5.872 2.822 ( 0.749 -1.355 -5.651) 5.860 2.924 ( 4.610 1.142 -1.200) 4.898 3.078 ( 4.523 -5.844 4.309) 8.554 3.152 ( 1.540 1.361 -0.389) 2.092 3.202 ( -2.430 5.456 0.910) 6.042 3.331 ( 3.876 6.718 -0.209) 7.758 3.364 ( 3.989 7.038 3.567) 8.841 3.484 ( 4.696 10.776 6.210) 13.294 3.594 ( -4.028 3.636 2.106) 5.821 3.778 ( 1.103 7.367 4.593) 8.751 4.194 ( -10.724 9.499 2.966) 14.630 4.412 ( 1.503 -10.373 0.108) 10.482 4.497 ( -0.856 -4.599 -7.369) 8.729 5.027 ( -1.876 -0.649 -9.656) 9.858 5.096 ( -2.909 6.278 -14.038) 15.651 5.182 ( 3.019 -5.894 -10.673) 12.560 5.316 ( 2.409 -0.356 -4.940) 5.507 5.470 ( -2.290 1.549 0.864) 2.896 5.571 ( 0.625 2.730 -0.235) 2.811 5.693 ( -0.865 -1.645 0.238) 1.874 5.736 ( -1.009 -3.355 -3.058) 4.651 5.937 ( 1.440 2.299 -2.720) 3.841 5.974 ( -0.033 5.100 -1.447) 5.301 6.188 ( 2.186 -6.189 -4.787) 8.124 6.295 ( -1.587 -6.997 -3.237) 7.871 6.623 ( 1.619 4.969 7.379) 9.042 6.667 ( 0.259 4.130 9.356) 10.230 6.908 ( 0.046 -7.173 3.786) 8.111 6.935 ( -0.948 -7.942 9.228) 12.212 7.654 ( 7.127 2.012 -3.982) 8.408 7.842 ( 5.312 -7.694 -9.682) 13.460 8.105 ( -9.576 3.673 -4.874) 11.355 8.213 ( -9.650 -0.775 -4.477) 10.666 8.551 ( 6.213 3.981 -0.887) 7.432 8.770 ( 1.337 -0.402 -3.026) 3.332 8.900 ( -0.023 -2.236 -7.975) 8.282 9.023 ( -0.014 -1.251 -5.120) 5.270 9.933 ( 2.746 9.190 -0.531) 9.606 10.074 ( -1.379 4.283 0.994) 4.608 10.249 ( -2.559 3.720 -0.615) 4.557 10.274 ( -2.913 3.279 0.966) 4.491 10.597 ( 5.914 -2.692 -3.354) 7.312 10.786 ( 2.602 -6.865 8.804) 11.463 10.840 ( -4.011 -1.935 -0.221) 4.459 11.017 ( -4.500 -6.940 7.298) 11.030 11.248 ( 8.927 7.480 5.052) 12.695 11.425 ( 3.783 2.385 3.740) 5.830 11.741 ( -2.137 4.385 -7.202) 8.698 11.829 ( -8.318 0.157 -3.362) 8.973 11.967 ( 1.381 8.995 -8.230) 12.270 12.050 ( -0.075 4.438 -6.169) 7.600 12.405 ( 0.207 -8.395 -7.608) 11.331 12.429 ( -0.577 -8.381 -8.524) 11.968 13.179 ( 4.019 0.735 9.810) 10.627 13.231 ( 3.732 -1.873 11.907) 12.618 13.365 ( -2.884 0.899 9.209) 9.692 13.461 ( -4.419 -5.206 13.420) 15.058 18.760 ( 2.303 2.338 2.187) 3.943 18.866 ( -0.381 0.466 2.889) 2.951 18.922 ( 0.508 -4.266 2.151) 4.804 18.992 ( -0.995 -4.167 3.596) 5.593 20.179 ( 0.372 12.547 -5.833) 13.841 20.228 ( -1.764 12.082 -7.315) 14.234 20.328 ( 2.396 8.922 -12.012) 15.154 20.433 ( -1.760 1.769 -11.561) 11.827 20.844 ( 0.123 -0.510 0.468) 0.703 20.858 ( -0.579 -1.954 0.341) 2.066 20.896 ( 0.980 -3.179 -0.221) 3.334 20.930 ( -0.384 -3.257 -0.844) 3.386 21.522 ( 0.732 1.734 8.600) 8.804 21.563 ( -0.687 3.602 7.803) 8.622 21.673 ( 2.151 -5.703 9.924) 11.647 21.832 ( -3.512 -11.078 11.696) 16.488 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -6.688 8.215 7.688) 13.089 1.677 ( 6.688 8.215 7.688) 13.089 1.780 ( -2.433 7.222 1.766) 7.823 1.780 ( 2.433 7.222 1.766) 7.823 2.011 ( -5.586 5.089 10.440) 12.888 2.011 ( 5.586 5.089 10.440) 12.888 2.370 ( -6.245 -7.271 1.507) 9.702 2.370 ( 6.245 -7.271 1.507) 9.702 2.559 ( -3.656 1.012 -4.728) 6.062 2.559 ( 3.656 1.012 -4.728) 6.062 2.778 ( -2.900 -3.760 -4.906) 6.828 2.778 ( 2.900 -3.760 -4.906) 6.828 3.078 ( -6.802 4.352 -0.091) 8.075 3.078 ( 6.802 4.352 -0.091) 8.075 3.158 ( -2.087 -0.274 1.763) 2.746 3.158 ( 2.087 -0.274 1.763) 2.746 3.454 ( -5.269 4.460 0.212) 6.906 3.454 ( 5.269 4.460 0.212) 6.906 3.503 ( -3.191 2.850 1.382) 4.496 3.503 ( 3.191 2.850 1.382) 4.496 3.913 ( -11.657 15.861 9.863) 22.017 3.913 ( 11.657 15.861 9.863) 22.017 4.464 ( -2.690 -9.085 -3.066) 9.959 4.464 ( 2.690 -9.085 -3.066) 9.959 5.028 ( -2.230 3.687 -13.270) 13.952 5.028 ( 2.230 3.687 -13.270) 13.952 5.272 ( -4.700 -7.382 -9.150) 12.661 5.272 ( 4.700 -7.382 -9.150) 12.661 5.519 ( -4.568 4.149 2.119) 6.525 5.519 ( 4.568 4.149 2.119) 6.525 5.703 ( -1.593 -0.763 -2.331) 2.924 5.703 ( 1.593 -0.763 -2.331) 2.924 5.967 ( -0.863 2.916 -1.884) 3.577 5.967 ( 0.863 2.916 -1.884) 3.577 6.246 ( -2.685 -6.402 -4.385) 8.212 6.246 ( 2.685 -6.402 -4.385) 8.212 6.659 ( -1.165 4.191 8.223) 9.302 6.659 ( 1.165 4.191 8.223) 9.302 6.915 ( -0.649 -7.328 6.627) 9.902 6.915 ( 0.649 -7.328 6.627) 9.902 7.861 ( -10.496 1.625 -4.753) 11.636 7.861 ( 10.496 1.625 -4.753) 11.636 8.007 ( -8.178 -4.825 -7.522) 12.114 8.007 ( 8.178 -4.825 -7.522) 12.114 8.688 ( -5.873 7.499 -0.207) 9.527 8.688 ( 5.873 7.499 -0.207) 9.527 8.978 ( -3.857 -6.035 -7.568) 10.420 8.978 ( 3.857 -6.035 -7.568) 10.420 10.012 ( -3.830 9.200 0.600) 9.983 10.012 ( 3.830 9.200 0.600) 9.983 10.228 ( -1.072 1.530 -0.181) 1.877 10.228 ( 1.072 1.530 -0.181) 1.877 10.721 ( -5.091 -0.391 -1.099) 5.223 10.721 ( 5.091 -0.391 -1.099) 5.223 10.899 ( -5.469 -9.260 8.620) 13.783 10.899 ( 5.469 -9.260 8.620) 13.783 11.437 ( -5.351 6.797 1.705) 8.817 11.437 ( 5.351 6.797 1.705) 8.817 11.699 ( -0.699 -0.556 -3.628) 3.737 11.699 ( 0.699 -0.556 -3.628) 3.737 12.014 ( -2.442 7.885 -6.951) 10.792 12.014 ( 2.442 7.885 -6.951) 10.792 12.415 ( -0.629 -8.472 -8.082) 11.726 12.415 ( 0.629 -8.472 -8.082) 11.726 13.279 ( -4.524 0.665 9.204) 10.277 13.279 ( 4.524 0.665 9.204) 10.277 13.342 ( -5.691 -3.053 12.714) 14.260 13.342 ( 5.691 -3.053 12.714) 14.260 18.822 ( -2.890 2.177 3.209) 4.836 18.822 ( 2.890 2.177 3.209) 4.836 18.958 ( -1.936 -5.035 2.202) 5.826 18.958 ( 1.936 -5.035 2.202) 5.826 20.195 ( -1.102 12.425 -6.408) 14.024 20.195 ( 1.102 12.425 -6.408) 14.024 20.383 ( -2.502 5.054 -12.147) 13.392 20.383 ( 2.502 5.054 -12.147) 13.392 20.848 ( -0.288 -1.154 0.536) 1.304 20.848 ( 0.288 -1.154 0.536) 1.304 20.917 ( -0.777 -3.246 -0.581) 3.388 20.917 ( 0.777 -3.246 -0.581) 3.388 21.542 ( -1.017 2.594 8.215) 8.675 21.542 ( 1.017 2.594 8.215) 8.675 21.743 ( -3.915 -7.906 11.003) 14.103 21.743 ( 3.915 -7.906 11.003) 14.103 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 -4.912 5.961) 7.724 1.745 ( 0.000 4.912 5.961) 7.724 1.893 ( 0.000 -0.500 1.372) 1.460 1.893 ( 0.000 0.500 1.372) 1.460 2.012 ( 0.000 -6.105 9.287) 11.114 2.012 ( 0.000 6.105 9.287) 11.114 2.483 ( 0.000 -8.855 1.726) 9.022 2.483 ( 0.000 8.855 1.726) 9.022 2.615 ( 0.000 -0.029 -4.319) 4.319 2.615 ( 0.000 0.029 -4.319) 4.319 2.735 ( 0.000 -4.725 -0.602) 4.763 2.735 ( 0.000 4.725 -0.602) 4.763 2.844 ( 0.000 -0.335 2.330) 2.354 2.844 ( 0.000 0.335 2.330) 2.354 3.189 ( 0.000 -4.034 -0.306) 4.046 3.189 ( 0.000 4.034 -0.306) 4.046 3.391 ( 0.000 -0.743 -3.774) 3.847 3.391 ( 0.000 0.743 -3.774) 3.847 3.673 ( 0.000 -3.833 3.424) 5.140 3.673 ( 0.000 3.833 3.424) 5.140 3.997 ( 0.000 -20.921 8.793) 22.694 3.997 ( 0.000 20.921 8.793) 22.694 4.454 ( 0.000 -3.394 -6.680) 7.493 4.454 ( 0.000 3.394 -6.680) 7.493 5.080 ( 0.000 -1.066 -8.280) 8.348 5.080 ( 0.000 1.066 -8.280) 8.348 5.268 ( 0.000 -3.031 -13.400) 13.738 5.268 ( 0.000 3.031 -13.400) 13.738 5.576 ( 0.000 -5.239 4.269) 6.759 5.576 ( 0.000 5.239 4.269) 6.759 5.620 ( 0.000 -5.722 -3.403) 6.657 5.620 ( 0.000 5.722 -3.403) 6.657 6.030 ( 0.000 -6.831 -3.567) 7.706 6.030 ( 0.000 6.831 -3.567) 7.706 6.149 ( 0.000 -9.163 -2.541) 9.508 6.149 ( 0.000 9.163 -2.541) 9.508 6.731 ( 0.000 -4.586 8.834) 9.953 6.731 ( 0.000 4.586 8.834) 9.953 6.802 ( 0.000 -3.917 6.653) 7.721 6.802 ( 0.000 3.917 6.653) 7.721 7.644 ( 0.000 -5.531 -7.273) 9.137 7.644 ( 0.000 5.531 -7.273) 9.137 8.406 ( 0.000 -2.468 -1.645) 2.966 8.406 ( 0.000 2.468 -1.645) 2.966 8.458 ( 0.000 -11.780 -8.496) 14.524 8.458 ( 0.000 11.780 -8.496) 14.524 9.007 ( 0.000 -1.406 -3.153) 3.452 9.007 ( 0.000 1.406 -3.153) 3.452 10.047 ( 0.000 -5.016 -0.416) 5.033 10.047 ( 0.000 5.016 -0.416) 5.033 10.398 ( 0.000 -6.095 -3.674) 7.116 10.398 ( 0.000 6.095 -3.674) 7.116 10.503 ( 0.000 -11.868 8.173) 14.409 10.503 ( 0.000 11.868 8.173) 14.409 10.973 ( 0.000 -4.526 0.704) 4.580 10.973 ( 0.000 4.526 0.704) 4.580 11.301 ( 0.000 -7.719 10.051) 12.673 11.301 ( 0.000 7.719 10.051) 12.673 11.850 ( 0.000 -5.874 -3.087) 6.636 11.850 ( 0.000 5.874 -3.087) 6.636 12.156 ( 0.000 -0.587 -10.912) 10.928 12.156 ( 0.000 0.587 -10.912) 10.928 12.272 ( 0.000 -1.509 -9.788) 9.904 12.272 ( 0.000 1.509 -9.788) 9.904 13.155 ( 0.000 -1.698 10.934) 11.065 13.155 ( 0.000 1.698 10.934) 11.065 13.432 ( 0.000 -2.695 11.402) 11.716 13.432 ( 0.000 2.695 11.402) 11.716 18.789 ( 0.000 -3.667 0.885) 3.772 18.789 ( 0.000 3.667 0.885) 3.772 18.944 ( 0.000 -2.358 4.693) 5.252 18.944 ( 0.000 2.358 4.693) 5.252 20.379 ( 0.000 -7.743 -7.876) 11.045 20.379 ( 0.000 7.743 -7.876) 11.045 20.390 ( 0.000 -1.858 -9.463) 9.644 20.390 ( 0.000 1.858 -9.463) 9.644 20.841 ( 0.000 -0.411 -0.231) 0.472 20.841 ( 0.000 0.411 -0.231) 0.472 20.872 ( 0.000 -2.856 -0.707) 2.942 20.872 ( 0.000 2.856 -0.707) 2.942 21.561 ( 0.000 -3.569 8.657) 9.364 21.561 ( 0.000 3.569 8.657) 9.364 21.683 ( 0.000 -7.596 10.192) 12.711 21.683 ( 0.000 7.596 10.192) 12.711 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.945 -5.680 4.960) 7.600 1.753 ( 0.945 5.680 4.960) 7.600 1.873 ( -2.420 -0.480 1.402) 2.838 1.873 ( -2.420 0.480 1.402) 2.838 2.040 ( 3.545 -9.356 9.472) 13.778 2.040 ( 3.545 9.356 9.472) 13.778 2.370 ( -8.555 -9.886 4.065) 13.691 2.370 ( -8.555 9.886 4.065) 13.691 2.619 ( 1.064 -2.052 -4.045) 4.659 2.619 ( 1.064 2.052 -4.045) 4.659 2.700 ( -1.632 -8.355 -2.161) 8.783 2.700 ( -1.632 8.355 -2.161) 8.783 2.980 ( 8.064 -4.307 1.235) 9.225 2.980 ( 8.064 4.307 1.235) 9.225 3.201 ( -0.115 -2.919 0.382) 2.946 3.201 ( -0.115 2.919 0.382) 2.946 3.410 ( 2.693 -0.970 -3.462) 4.492 3.410 ( 2.693 0.970 -3.462) 4.492 3.633 ( -3.629 -0.971 1.263) 3.964 3.633 ( -3.629 0.971 1.263) 3.964 4.061 ( 5.552 -19.709 9.172) 22.437 4.061 ( 5.552 19.709 9.172) 22.437 4.391 ( -5.621 -6.508 -2.096) 8.851 4.391 ( -5.621 6.508 -2.096) 8.851 5.069 ( 0.362 -4.790 -10.495) 11.542 5.069 ( 0.362 4.790 -10.495) 11.542 5.236 ( -3.520 -6.993 -13.200) 15.347 5.236 ( -3.520 6.993 -13.200) 15.347 5.574 ( 1.220 -8.075 1.471) 8.298 5.574 ( 1.220 8.075 1.471) 8.298 5.642 ( 0.401 -4.400 -0.672) 4.469 5.642 ( 0.401 4.400 -0.672) 4.469 6.049 ( 1.676 -7.265 -3.928) 8.427 6.049 ( 1.676 7.265 -3.928) 8.427 6.136 ( -1.184 -9.003 -3.230) 9.638 6.136 ( -1.184 9.003 -3.230) 9.638 6.744 ( 1.054 -4.372 8.594) 9.700 6.744 ( 1.054 4.372 8.594) 9.700 6.795 ( -0.662 -3.726 7.154) 8.093 6.795 ( -0.662 3.726 7.154) 8.093 7.721 ( 6.563 -5.023 -7.262) 11.001 7.721 ( 6.563 5.023 -7.262) 11.001 8.171 ( -11.803 -3.150 -5.904) 13.568 8.171 ( -11.803 3.150 -5.904) 13.568 8.661 ( 9.158 -7.213 -4.301) 12.425 8.661 ( 9.158 7.213 -4.301) 12.425 8.962 ( -3.887 -4.698 -3.183) 6.879 8.962 ( -3.887 4.698 -3.183) 6.879 10.085 ( 3.213 -4.758 -0.184) 5.744 10.085 ( 3.213 4.758 -0.184) 5.744 10.303 ( -5.633 -1.709 -0.267) 5.892 10.303 ( -5.633 1.709 -0.267) 5.892 10.607 ( 6.356 -6.034 4.670) 9.931 10.607 ( 6.356 6.034 4.670) 9.931 10.895 ( -5.680 -4.979 2.583) 7.983 10.895 ( -5.680 4.979 2.583) 7.983 11.400 ( 7.486 -6.090 6.774) 11.790 11.400 ( 7.486 6.090 6.774) 11.790 11.770 ( -6.555 -3.551 -1.551) 7.615 11.770 ( -6.555 3.551 -1.551) 7.615 12.179 ( 1.773 -5.902 -10.575) 12.240 12.179 ( 1.773 5.902 -10.575) 12.240 12.258 ( -1.181 -4.582 -9.973) 11.038 12.258 ( -1.181 4.582 -9.973) 11.038 13.200 ( 3.687 -1.419 10.782) 11.483 13.200 ( 3.687 1.419 10.782) 11.483 13.394 ( -3.280 -2.256 11.206) 11.892 13.394 ( -3.280 2.256 11.206) 11.892 18.817 ( 2.258 -3.642 1.397) 4.507 18.817 ( 2.258 3.642 1.397) 4.507 18.926 ( -1.579 -2.682 4.107) 5.153 18.926 ( -1.579 2.682 4.107) 5.153 20.377 ( -0.131 -7.189 -8.152) 10.870 20.377 ( -0.131 7.189 -8.152) 10.870 20.385 ( -0.389 -3.590 -9.253) 9.933 20.385 ( -0.389 3.590 -9.253) 9.933 20.846 ( 0.464 -1.383 -0.297) 1.488 20.846 ( 0.464 1.383 -0.297) 1.488 20.868 ( -0.303 -2.728 -0.636) 2.817 20.868 ( -0.303 2.728 -0.636) 2.817 21.576 ( 1.325 -3.968 8.945) 9.875 21.576 ( 1.325 3.968 8.945) 9.875 21.662 ( -1.731 -6.799 10.040) 12.249 21.662 ( -1.731 6.799 10.040) 12.249 ======================= Grid point 114 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -3.224 -4.057 3.432) 6.215 1.800 ( 3.060 -4.025 3.432) 6.111 1.800 ( -3.060 4.025 3.432) 6.111 1.800 ( 3.224 4.057 3.432) 6.215 2.175 ( -7.756 -11.251 6.720) 15.228 2.175 ( 6.943 -11.118 6.720) 14.729 2.175 ( -6.943 11.118 6.720) 14.729 2.175 ( 7.756 11.251 6.720) 15.228 2.657 ( -1.571 -7.375 -3.378) 8.263 2.657 ( 1.273 -7.361 -3.378) 8.198 2.657 ( -1.273 7.361 -3.378) 8.198 2.657 ( 1.571 7.375 -3.378) 8.263 3.138 ( -5.397 -2.337 0.576) 5.910 3.138 ( -2.998 0.653 0.576) 3.122 3.138 ( 2.998 -0.653 0.576) 3.122 3.138 ( 5.397 2.337 0.576) 5.910 3.519 ( -5.868 -1.552 -1.491) 6.250 3.519 ( -5.182 0.718 -1.491) 5.440 3.519 ( 5.182 -0.718 -1.491) 5.440 3.519 ( 5.868 1.552 -1.491) 6.250 4.224 ( -8.069 -15.531 5.620) 18.383 4.224 ( 7.527 -15.463 5.620) 18.093 4.224 ( -7.527 15.463 5.620) 18.093 4.224 ( 8.069 15.531 5.620) 18.383 5.130 ( -4.730 -6.973 -12.632) 15.184 5.130 ( 4.666 -6.962 -12.632) 15.159 5.130 ( -4.666 6.962 -12.632) 15.159 5.130 ( 4.730 6.973 -12.632) 15.184 5.620 ( -2.059 -5.962 0.192) 6.310 5.620 ( 2.041 -5.960 0.192) 6.303 5.620 ( -2.041 5.960 0.192) 6.303 5.620 ( 2.059 5.962 0.192) 6.310 6.096 ( -2.153 -8.567 -4.037) 9.712 6.096 ( 2.106 -8.564 -4.037) 9.699 6.096 ( -2.106 8.564 -4.037) 9.699 6.096 ( 2.153 8.567 -4.037) 9.712 6.772 ( -0.768 -7.236 7.985) 10.803 6.772 ( 0.595 -7.232 7.985) 10.790 6.772 ( -0.595 7.232 7.985) 10.790 6.772 ( 0.768 7.236 7.985) 10.803 7.917 ( -10.431 -4.077 -6.908) 13.158 7.917 ( -7.218 1.562 -6.908) 10.112 7.917 ( 7.218 -1.562 -6.908) 10.112 7.917 ( 10.431 4.077 -6.908) 13.158 8.841 ( -6.406 -7.944 -3.450) 10.772 8.841 ( 4.587 -7.622 -3.450) 9.542 8.841 ( -4.587 7.622 -3.450) 9.542 8.841 ( 6.406 7.944 -3.450) 10.772 10.180 ( -3.707 -6.690 0.138) 7.650 10.180 ( 0.928 -6.445 0.138) 6.513 10.180 ( -0.928 6.445 0.138) 6.513 10.180 ( 3.707 6.690 0.138) 7.650 10.754 ( -6.662 -4.969 3.768) 9.125 10.754 ( 6.446 -4.898 3.768) 8.930 10.754 ( -6.446 4.898 3.768) 8.930 10.754 ( 6.662 4.969 3.768) 9.125 11.590 ( -6.427 -7.673 2.273) 10.264 11.590 ( -1.214 -6.994 2.273) 7.454 11.590 ( 1.214 6.994 2.273) 7.454 11.590 ( 6.427 7.673 2.273) 10.264 12.223 ( -1.227 -11.506 -10.245) 15.455 12.223 ( 1.020 -11.501 -10.245) 15.436 12.223 ( -1.020 11.501 -10.245) 15.436 12.223 ( 1.227 11.506 -10.245) 15.455 13.299 ( -4.781 -1.530 10.838) 11.944 13.299 ( -4.759 1.512 10.838) 11.933 13.299 ( 4.759 -1.512 10.838) 11.933 13.299 ( 4.781 1.530 10.838) 11.944 18.876 ( -2.612 -3.549 2.716) 5.176 18.876 ( 2.244 -3.485 2.716) 4.955 18.876 ( -2.244 3.485 2.716) 4.955 18.876 ( 2.612 3.549 2.716) 5.176 20.377 ( -0.212 -5.748 -8.734) 10.458 20.377 ( 0.211 -5.748 -8.734) 10.458 20.377 ( -0.211 5.748 -8.734) 10.458 20.377 ( 0.212 5.748 -8.734) 10.458 20.859 ( -0.536 -2.333 -0.463) 2.438 20.859 ( 0.529 -2.333 -0.463) 2.436 20.859 ( -0.529 2.333 -0.463) 2.436 20.859 ( 0.536 2.333 -0.463) 2.438 21.616 ( -2.106 -5.296 9.559) 11.129 21.616 ( 2.068 -5.292 9.559) 11.120 21.616 ( -2.068 5.292 9.559) 11.120 21.616 ( 2.106 5.296 9.559) 11.129 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 0.000 3.631) 3.631 1.304 ( 0.000 0.000 18.286) 18.286 1.463 ( 0.000 0.000 21.867) 21.867 1.644 ( 0.000 0.000 -3.341) 3.341 1.877 ( 0.000 0.000 -0.458) 0.458 2.123 ( 0.000 0.000 -6.575) 6.575 2.128 ( 0.000 0.000 -3.200) 3.200 2.292 ( 0.000 0.000 1.126) 1.126 2.462 ( 0.000 0.000 -1.236) 1.236 2.507 ( 0.000 0.000 -3.315) 3.315 2.618 ( 0.000 0.000 -1.867) 1.867 2.629 ( 0.000 0.000 -4.811) 4.811 2.674 ( 0.000 0.000 -5.778) 5.778 2.821 ( 0.000 0.000 -5.139) 5.139 3.086 ( 0.000 0.000 34.409) 34.409 3.241 ( 0.000 0.000 -3.531) 3.531 3.466 ( 0.000 0.000 -2.876) 2.876 3.483 ( 0.000 0.000 12.238) 12.238 3.487 ( 0.000 0.000 5.267) 5.267 3.615 ( 0.000 0.000 5.665) 5.665 3.667 ( 0.000 0.000 -1.472) 1.472 3.990 ( 0.000 0.000 -8.896) 8.896 4.105 ( 0.000 0.000 -12.413) 12.413 4.616 ( 0.000 0.000 0.228) 0.228 4.750 ( 0.000 0.000 -6.868) 6.868 5.070 ( 0.000 0.000 -9.913) 9.913 5.138 ( 0.000 0.000 2.124) 2.124 5.247 ( 0.000 0.000 -12.472) 12.472 5.410 ( 0.000 0.000 -3.350) 3.350 5.413 ( 0.000 0.000 12.408) 12.408 5.477 ( 0.000 0.000 -4.916) 4.916 5.534 ( 0.000 0.000 8.296) 8.296 6.008 ( 0.000 0.000 2.298) 2.298 6.131 ( 0.000 0.000 0.491) 0.491 6.344 ( 0.000 0.000 -2.117) 2.117 6.515 ( 0.000 0.000 -6.629) 6.629 6.572 ( 0.000 0.000 -7.568) 7.568 6.723 ( 0.000 0.000 -0.147) 0.147 7.203 ( 0.000 0.000 7.319) 7.319 7.360 ( 0.000 0.000 2.524) 2.524 7.689 ( 0.000 0.000 6.618) 6.618 7.966 ( 0.000 0.000 5.663) 5.663 8.220 ( 0.000 0.000 -4.833) 4.833 8.245 ( 0.000 0.000 -8.167) 8.167 8.372 ( 0.000 0.000 0.382) 0.382 8.489 ( 0.000 0.000 -3.184) 3.184 8.622 ( 0.000 0.000 -8.690) 8.690 8.903 ( 0.000 0.000 -19.076) 19.076 9.711 ( 0.000 0.000 -1.702) 1.702 9.714 ( 0.000 0.000 -5.781) 5.781 10.039 ( 0.000 0.000 -0.881) 0.881 10.260 ( 0.000 0.000 -2.737) 2.737 10.424 ( 0.000 0.000 6.429) 6.429 10.731 ( 0.000 0.000 -2.105) 2.105 10.771 ( 0.000 0.000 -5.057) 5.057 10.906 ( 0.000 0.000 14.449) 14.449 11.063 ( 0.000 0.000 -15.025) 15.025 11.305 ( 0.000 0.000 -0.685) 0.685 11.642 ( 0.000 0.000 13.088) 13.088 11.684 ( 0.000 0.000 10.629) 10.629 12.167 ( 0.000 0.000 1.530) 1.530 12.223 ( 0.000 0.000 -2.395) 2.395 12.510 ( 0.000 0.000 -7.620) 7.620 12.515 ( 0.000 0.000 -6.036) 6.036 13.297 ( 0.000 0.000 7.972) 7.972 13.430 ( 0.000 0.000 6.163) 6.163 13.535 ( 0.000 0.000 9.052) 9.052 14.168 ( 0.000 0.000 -5.627) 5.627 18.754 ( 0.000 0.000 4.134) 4.134 18.939 ( 0.000 0.000 3.823) 3.823 19.219 ( 0.000 0.000 -0.309) 0.309 19.254 ( 0.000 0.000 3.387) 3.387 19.283 ( 0.000 0.000 3.755) 3.755 19.581 ( 0.000 0.000 -4.074) 4.074 19.625 ( 0.000 0.000 -4.200) 4.200 19.936 ( 0.000 0.000 -14.806) 14.806 20.907 ( 0.000 0.000 1.125) 1.125 20.934 ( 0.000 0.000 0.973) 0.973 21.014 ( 0.000 0.000 0.193) 0.193 21.027 ( 0.000 0.000 -0.594) 0.594 21.595 ( 0.000 0.000 6.736) 6.736 21.670 ( 0.000 0.000 7.159) 7.159 22.046 ( 0.000 0.000 9.681) 9.681 22.645 ( 0.000 0.000 -6.682) 6.682 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 2.915 0.000 4.976) 5.767 1.340 ( 1.253 0.000 11.564) 11.632 1.527 ( 5.585 0.000 19.462) 20.248 1.665 ( 2.781 0.000 0.893) 2.921 1.845 ( -4.128 0.000 3.412) 5.356 1.973 ( -8.099 0.000 2.366) 8.438 2.208 ( 3.459 0.000 -9.533) 10.141 2.273 ( 0.124 0.000 -2.955) 2.958 2.428 ( -4.840 0.000 -7.499) 8.926 2.458 ( -7.512 0.000 -5.557) 9.344 2.553 ( 6.455 0.000 -2.687) 6.992 2.724 ( 1.682 0.000 -2.861) 3.318 2.778 ( 7.442 0.000 1.995) 7.705 2.927 ( 6.606 0.000 -6.222) 9.075 3.177 ( 8.362 0.000 31.023) 32.131 3.315 ( 3.670 0.000 -1.474) 3.955 3.385 ( -4.055 0.000 6.791) 7.909 3.448 ( -0.428 0.000 0.528) 0.679 3.491 ( -0.540 0.000 3.068) 3.115 3.597 ( -2.837 0.000 2.692) 3.911 3.656 ( -1.557 0.000 3.255) 3.608 3.898 ( -8.702 0.000 -1.145) 8.777 4.147 ( 3.424 0.000 -12.648) 13.104 4.411 ( -10.604 0.000 -4.999) 11.723 4.869 ( 5.547 0.000 -2.532) 6.098 5.096 ( 2.237 0.000 -10.462) 10.699 5.098 ( -3.621 0.000 1.303) 3.849 5.221 ( -2.181 0.000 -12.022) 12.218 5.438 ( 2.021 0.000 11.313) 11.492 5.463 ( 5.464 0.000 -6.891) 8.795 5.523 ( -1.027 0.000 8.589) 8.650 5.568 ( 4.596 0.000 -7.367) 8.683 6.010 ( 0.447 0.000 2.312) 2.355 6.097 ( -2.600 0.000 0.987) 2.781 6.381 ( 3.077 0.000 -1.118) 3.274 6.533 ( 1.396 0.000 -6.694) 6.838 6.575 ( 0.028 0.000 -7.425) 7.425 6.624 ( -7.168 0.000 0.646) 7.197 7.213 ( 0.920 0.000 7.544) 7.600 7.322 ( -3.026 0.000 4.035) 5.044 7.784 ( 7.783 0.000 6.100) 9.889 7.979 ( 1.217 0.000 4.987) 5.133 8.122 ( -5.309 0.000 -0.149) 5.311 8.177 ( -6.123 0.000 -3.512) 7.059 8.507 ( 8.526 0.000 -5.239) 10.007 8.519 ( 2.466 0.000 -6.177) 6.651 8.614 ( -0.829 0.000 -9.158) 9.196 8.847 ( -4.894 0.000 -16.653) 17.357 9.699 ( -0.500 0.000 -2.942) 2.984 9.710 ( -0.505 0.000 -4.453) 4.482 10.121 ( 6.019 0.000 -3.206) 6.819 10.264 ( -0.027 0.000 -3.094) 3.094 10.478 ( 4.388 0.000 4.693) 6.425 10.693 ( -3.351 0.000 -1.115) 3.532 10.772 ( 1.354 0.000 -4.268) 4.477 10.982 ( 3.719 0.000 8.970) 9.710 11.005 ( -2.813 0.000 -13.453) 13.744 11.265 ( -3.729 0.000 0.036) 3.729 11.648 ( 0.550 0.000 12.625) 12.637 11.678 ( -0.511 0.000 10.899) 10.911 12.160 ( -0.421 0.000 1.372) 1.435 12.193 ( -2.082 0.000 -1.097) 2.353 12.511 ( 0.099 0.000 -7.355) 7.356 12.515 ( -0.024 0.000 -6.262) 6.262 13.331 ( 2.893 0.000 7.634) 8.164 13.479 ( -0.145 0.000 4.875) 4.877 13.541 ( 4.867 0.000 9.860) 10.996 14.027 ( -11.132 0.000 -1.077) 11.184 18.787 ( 2.813 0.000 4.550) 5.349 18.933 ( -1.573 0.000 5.160) 5.395 19.258 ( 0.322 0.000 3.427) 3.442 19.278 ( -0.379 0.000 3.684) 3.704 19.331 ( 9.934 0.000 -5.702) 11.454 19.588 ( 0.588 0.000 -4.075) 4.118 19.619 ( -0.525 0.000 -4.169) 4.202 19.844 ( -7.998 0.000 -14.346) 16.425 20.910 ( 0.283 0.000 1.146) 1.180 20.930 ( -0.405 0.000 1.016) 1.094 21.018 ( 0.296 0.000 0.099) 0.312 21.027 ( -0.026 0.000 -0.452) 0.453 21.607 ( 0.995 0.000 6.741) 6.814 21.659 ( -0.927 0.000 7.068) 7.129 22.108 ( 5.550 0.000 8.677) 10.300 22.522 ( -9.690 0.000 -2.013) 9.897 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -3.874 0.000 5.194) 6.479 1.305 ( 3.874 0.000 5.194) 6.479 1.692 ( -8.337 0.000 12.489) 15.016 1.692 ( 8.337 0.000 12.489) 15.016 1.790 ( -7.756 0.000 5.666) 9.605 1.790 ( 7.756 0.000 5.666) 9.605 2.308 ( -5.667 0.000 -8.832) 10.494 2.308 ( 5.667 0.000 -8.832) 10.494 2.325 ( -4.037 0.000 -7.588) 8.595 2.325 ( 4.037 0.000 -7.588) 8.595 2.688 ( -4.578 0.000 -3.356) 5.676 2.688 ( 4.578 0.000 -3.356) 5.676 2.953 ( -5.938 0.000 2.353) 6.387 2.953 ( 5.938 0.000 2.353) 6.387 3.303 ( -1.373 0.000 4.303) 4.517 3.303 ( 1.373 0.000 4.303) 4.517 3.463 ( -1.501 0.000 2.452) 2.875 3.463 ( 1.501 0.000 2.452) 2.875 3.503 ( -7.557 0.000 9.181) 11.891 3.503 ( 7.557 0.000 9.181) 11.891 3.661 ( -6.903 0.000 6.443) 9.442 3.661 ( 6.903 0.000 6.443) 9.442 4.242 ( -5.148 0.000 -12.365) 13.394 4.242 ( 5.148 0.000 -12.365) 13.394 4.990 ( -5.518 0.000 0.929) 5.595 4.990 ( 5.518 0.000 0.929) 5.595 5.159 ( -3.085 0.000 -11.389) 11.799 5.159 ( 3.085 0.000 -11.389) 11.799 5.488 ( -2.115 0.000 9.638) 9.867 5.488 ( 2.115 0.000 9.638) 9.867 5.586 ( -3.459 0.000 -10.265) 10.832 5.586 ( 3.459 0.000 -10.265) 10.832 6.039 ( -2.171 0.000 1.928) 2.904 6.039 ( 2.171 0.000 1.928) 2.904 6.475 ( -5.471 0.000 0.758) 5.523 6.475 ( 5.471 0.000 0.758) 5.523 6.564 ( -1.070 0.000 -7.032) 7.113 6.564 ( 1.070 0.000 -7.032) 7.113 7.252 ( -2.675 0.000 6.594) 7.116 7.252 ( 2.675 0.000 6.594) 7.116 7.991 ( -9.751 0.000 2.941) 10.185 7.991 ( 9.751 0.000 2.941) 10.185 8.026 ( -3.161 0.000 3.048) 4.391 8.026 ( 3.161 0.000 3.048) 4.391 8.578 ( -2.368 0.000 -8.903) 9.213 8.578 ( 2.368 0.000 -8.903) 9.213 8.698 ( -8.076 0.000 -11.159) 13.775 8.698 ( 8.076 0.000 -11.159) 13.775 9.698 ( -0.383 0.000 -3.718) 3.737 9.698 ( 0.383 0.000 -3.718) 3.737 10.234 ( -3.196 0.000 -3.894) 5.038 10.234 ( 3.196 0.000 -3.894) 5.038 10.593 ( -5.285 0.000 1.467) 5.484 10.593 ( 5.285 0.000 1.467) 5.484 10.861 ( -6.191 0.000 -9.313) 11.182 10.861 ( 6.191 0.000 -9.313) 11.182 11.141 ( -6.915 0.000 3.297) 7.661 11.141 ( 6.915 0.000 3.297) 7.661 11.664 ( -0.741 0.000 11.667) 11.690 11.664 ( 0.741 0.000 11.667) 11.690 12.159 ( -0.650 0.000 0.668) 0.933 12.159 ( 0.650 0.000 0.668) 0.933 12.513 ( -0.091 0.000 -6.790) 6.790 12.513 ( 0.091 0.000 -6.790) 6.790 13.412 ( -3.981 0.000 7.110) 8.148 13.412 ( 3.981 0.000 7.110) 8.148 13.752 ( -12.037 0.000 5.217) 13.119 13.752 ( 12.037 0.000 5.217) 13.119 18.866 ( -3.822 0.000 5.352) 6.577 18.866 ( 3.822 0.000 5.352) 6.577 19.268 ( -0.491 0.000 3.541) 3.575 19.268 ( 0.491 0.000 3.541) 3.575 19.603 ( -12.739 0.000 -11.933) 17.455 19.603 ( 12.739 0.000 -11.933) 17.455 19.604 ( -0.781 0.000 -4.108) 4.182 19.604 ( 0.781 0.000 -4.108) 4.182 20.919 ( -0.496 0.000 1.114) 1.219 20.919 ( 0.496 0.000 1.114) 1.219 21.024 ( -0.236 0.000 -0.155) 0.283 21.024 ( 0.236 0.000 -0.155) 0.283 21.634 ( -1.263 0.000 6.858) 6.973 21.634 ( 1.263 0.000 6.858) 6.973 22.286 ( -10.064 0.000 4.982) 11.230 22.286 ( 10.064 0.000 4.982) 11.230 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 12.122 3.592) 12.643 1.455 ( 0.000 13.090 14.553) 19.574 1.508 ( 0.000 4.638 20.006) 20.536 1.746 ( 0.000 9.130 -1.284) 9.220 1.834 ( 0.000 -1.133 2.028) 2.323 2.224 ( 0.000 8.912 -3.946) 9.747 2.238 ( 0.000 8.862 -5.908) 10.651 2.305 ( 0.000 2.594 -0.801) 2.715 2.427 ( 0.000 -5.258 0.495) 5.282 2.505 ( 0.000 3.520 0.330) 3.535 2.628 ( 0.000 -0.973 -2.441) 2.628 2.676 ( 0.000 0.956 -6.328) 6.400 2.725 ( 0.000 7.925 -5.268) 9.516 2.849 ( 0.000 2.946 -6.765) 7.379 3.152 ( 0.000 6.943 33.271) 33.987 3.227 ( 0.000 -1.863 -2.973) 3.508 3.374 ( 0.000 -6.109 9.702) 11.466 3.398 ( 0.000 -4.665 -0.751) 4.725 3.536 ( 0.000 -0.155 8.743) 8.745 3.639 ( 0.000 1.234 4.964) 5.115 3.690 ( 0.000 2.234 -1.001) 2.448 4.020 ( 0.000 3.574 -8.672) 9.380 4.127 ( 0.000 1.924 -14.167) 14.297 4.592 ( 0.000 -2.510 -1.779) 3.076 4.691 ( 0.000 -4.005 -8.897) 9.756 5.098 ( 0.000 -2.217 -1.066) 2.460 5.101 ( 0.000 0.065 -12.582) 12.582 5.275 ( 0.000 0.390 -9.724) 9.732 5.377 ( 0.000 2.430 6.264) 6.719 5.473 ( 0.000 -0.316 -3.388) 3.403 5.530 ( 0.000 6.952 2.804) 7.496 5.587 ( 0.000 5.468 7.633) 9.389 6.005 ( 0.000 -0.763 1.135) 1.368 6.090 ( 0.000 -4.373 0.706) 4.430 6.270 ( 0.000 -5.860 -4.392) 7.323 6.524 ( 0.000 -4.993 -6.820) 8.453 6.570 ( 0.000 4.276 -4.278) 6.048 6.687 ( 0.000 -2.661 1.626) 3.119 7.179 ( 0.000 -2.550 7.021) 7.470 7.324 ( 0.000 -3.612 3.685) 5.160 7.657 ( 0.000 -3.002 5.918) 6.636 7.972 ( 0.000 -3.462 -1.804) 3.904 8.030 ( 0.000 -6.466 -0.912) 6.530 8.312 ( 0.000 1.247 -2.252) 2.575 8.425 ( 0.000 4.379 1.275) 4.561 8.608 ( 0.000 -0.561 -10.440) 10.455 8.626 ( 0.000 10.630 -6.556) 12.489 8.840 ( 0.000 -6.289 -17.455) 18.554 9.714 ( 0.000 1.018 -0.025) 1.019 9.820 ( 0.000 9.666 -7.131) 12.012 10.089 ( 0.000 4.614 -0.768) 4.677 10.272 ( 0.000 1.555 -2.704) 3.119 10.395 ( 0.000 -1.846 6.550) 6.806 10.752 ( 0.000 1.066 -0.797) 1.332 10.868 ( 0.000 10.361 -7.015) 12.512 10.958 ( 0.000 4.960 13.923) 14.780 11.167 ( 0.000 10.138 -15.101) 18.188 11.302 ( 0.000 -0.301 0.148) 0.335 11.598 ( 0.000 -4.386 13.033) 13.751 11.624 ( 0.000 -5.842 10.200) 11.754 12.142 ( 0.000 -2.594 1.888) 3.208 12.184 ( 0.000 -4.080 -2.773) 4.933 12.489 ( 0.000 -2.798 -6.445) 7.026 12.492 ( 0.000 -2.080 -7.639) 7.917 13.297 ( 0.000 0.020 8.213) 8.213 13.422 ( 0.000 -0.762 6.381) 6.426 13.534 ( 0.000 0.008 8.750) 8.750 14.062 ( 0.000 -9.816 -1.876) 9.993 18.750 ( 0.000 -0.195 3.787) 3.792 18.936 ( 0.000 -0.415 3.233) 3.260 19.150 ( 0.000 -5.594 0.769) 5.646 19.236 ( 0.000 -3.540 3.601) 5.049 19.425 ( 0.000 15.425 -0.080) 15.426 19.653 ( 0.000 7.275 -4.337) 8.470 19.734 ( 0.000 9.796 -4.502) 10.781 19.999 ( 0.000 6.001 -14.176) 15.394 20.901 ( 0.000 -0.622 1.124) 1.284 20.929 ( 0.000 -0.603 0.862) 1.052 20.998 ( 0.000 -1.652 0.136) 1.658 21.013 ( 0.000 -1.433 -0.693) 1.591 21.606 ( 0.000 1.177 6.768) 6.870 21.667 ( 0.000 -0.329 7.255) 7.262 22.014 ( 0.000 -3.203 9.571) 10.093 22.536 ( 0.000 -10.598 -3.411) 11.133 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 2.625 11.932 3.471) 12.700 1.466 ( 0.158 11.500 9.965) 15.217 1.544 ( 3.426 2.587 16.771) 17.312 1.767 ( 0.764 4.962 3.865) 6.336 1.826 ( -0.194 4.612 4.594) 6.512 2.114 ( -7.587 10.801 2.594) 13.451 2.268 ( 2.436 3.580 -2.633) 5.067 2.287 ( -0.385 4.514 -8.688) 9.798 2.368 ( -3.705 -3.039 -5.751) 7.486 2.508 ( -4.019 1.402 -5.037) 6.595 2.628 ( 2.411 7.698 -3.726) 8.886 2.696 ( 3.489 -2.116 -0.232) 4.087 2.809 ( 5.314 2.679 -0.205) 5.955 2.953 ( 5.805 2.613 -6.198) 8.885 3.232 ( 4.900 2.113 20.646) 21.324 3.292 ( -0.938 -1.358 9.814) 9.952 3.315 ( 5.651 -3.053 2.214) 6.794 3.429 ( 0.811 -2.463 2.142) 3.364 3.491 ( -2.129 0.320 6.025) 6.398 3.620 ( -3.461 1.801 2.412) 4.587 3.677 ( -0.700 1.308 2.713) 3.092 3.936 ( -8.159 4.605 -0.622) 9.389 4.165 ( 3.130 1.714 -14.506) 14.938 4.406 ( -9.778 -0.493 -6.486) 11.744 4.783 ( 4.739 -5.830 -5.316) 9.204 5.040 ( -4.646 -3.681 -3.154) 6.714 5.166 ( 3.632 2.571 -12.417) 13.190 5.264 ( -0.950 1.209 -10.374) 10.487 5.413 ( 3.455 0.857 5.418) 6.483 5.504 ( 2.722 1.086 -0.655) 3.003 5.566 ( -1.765 4.647 8.027) 9.442 5.576 ( 2.297 2.184 -2.642) 4.126 6.005 ( 0.258 -1.213 0.604) 1.379 6.066 ( -1.817 -3.094 1.037) 3.735 6.310 ( 3.250 -5.663 -3.404) 7.363 6.499 ( -3.059 -6.274 -4.815) 8.480 6.585 ( 1.197 4.050 -4.060) 5.858 6.641 ( -2.345 0.916 -0.001) 2.518 7.186 ( 0.819 -2.745 7.077) 7.634 7.290 ( -2.757 -3.285 4.656) 6.330 7.747 ( 7.280 -3.448 5.274) 9.629 7.972 ( -0.246 -3.778 -1.374) 4.027 8.032 ( 0.020 -3.669 -0.190) 3.674 8.205 ( -7.520 0.251 0.239) 7.528 8.467 ( 2.682 1.823 -1.245) 3.474 8.595 ( -1.174 -0.922 -8.455) 8.585 8.676 ( 3.506 8.772 -9.476) 13.380 8.819 ( -1.803 -2.884 -15.904) 16.264 9.719 ( 0.508 2.123 -0.593) 2.262 9.784 ( -2.346 7.303 -5.029) 9.172 10.145 ( 3.591 2.137 -1.953) 4.613 10.246 ( -1.487 -0.864 -1.347) 2.185 10.483 ( 6.524 1.409 2.869) 7.264 10.726 ( -2.532 2.064 -0.220) 3.274 10.887 ( 2.347 11.743 -7.622) 14.195 11.014 ( 4.163 3.438 9.727) 11.125 11.117 ( -3.871 10.642 -13.772) 17.830 11.266 ( -3.389 0.147 1.032) 3.545 11.599 ( 0.207 -5.572 12.124) 13.345 11.621 ( -0.319 -5.007 10.745) 11.858 12.131 ( -0.698 -3.312 1.443) 3.680 12.160 ( -1.725 -3.138 -0.946) 3.704 12.489 ( 0.022 -2.668 -6.849) 7.350 12.491 ( -0.027 -2.378 -7.272) 7.651 13.332 ( 2.978 0.194 7.780) 8.333 13.475 ( 0.987 -0.538 4.906) 5.033 13.529 ( 3.003 -1.058 9.929) 10.427 13.946 ( -9.336 -7.670 1.296) 12.152 18.785 ( 2.923 -0.099 4.212) 5.128 18.931 ( -1.382 -0.128 4.833) 5.028 19.171 ( 1.871 -6.671 0.144) 6.930 19.231 ( -0.462 -3.979 3.315) 5.199 19.484 ( 5.338 13.699 -3.513) 15.116 19.653 ( -0.203 6.947 -4.532) 8.297 19.735 ( 0.281 10.238 -4.892) 11.350 19.926 ( -6.124 7.546 -13.402) 16.555 20.904 ( 0.291 -0.609 1.130) 1.316 20.924 ( -0.410 -0.618 0.933) 1.192 21.003 ( 0.331 -1.597 0.023) 1.631 21.013 ( -0.043 -1.455 -0.552) 1.557 21.616 ( 0.810 0.950 6.803) 6.916 21.658 ( -0.744 -0.095 7.173) 7.212 22.071 ( 4.980 -3.824 8.696) 10.726 22.432 ( -8.234 -8.803 0.104) 12.054 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -3.536 10.795 3.817) 11.984 1.422 ( 3.536 10.795 3.817) 11.984 1.670 ( -6.843 0.384 11.526) 13.410 1.670 ( 6.843 0.384 11.526) 13.410 1.934 ( -7.730 11.052 7.503) 15.434 1.934 ( 7.730 11.052 7.503) 15.434 2.299 ( -1.906 0.576 -8.022) 8.265 2.299 ( 1.906 0.576 -8.022) 8.265 2.376 ( -6.013 3.708 -7.260) 10.130 2.376 ( 6.013 3.708 -7.260) 10.130 2.708 ( -2.556 2.432 -2.820) 4.517 2.708 ( 2.556 2.432 -2.820) 4.517 2.952 ( -5.986 -0.091 2.933) 6.667 2.952 ( 5.986 -0.091 2.933) 6.667 3.284 ( -3.494 -2.078 1.705) 4.408 3.284 ( 3.494 -2.078 1.705) 4.408 3.447 ( -1.632 -1.178 3.306) 3.871 3.447 ( 1.632 -1.178 3.306) 3.871 3.538 ( -6.583 2.386 7.218) 10.056 3.538 ( 6.583 2.386 7.218) 10.056 3.697 ( -7.583 4.786 9.677) 13.193 3.697 ( 7.583 4.786 9.677) 13.193 4.251 ( -4.642 0.949 -14.049) 14.826 4.251 ( 4.642 0.949 -14.049) 14.826 4.908 ( -6.365 -5.410 -2.902) 8.843 4.908 ( 6.365 -5.410 -2.902) 8.843 5.230 ( -2.125 2.961 -11.676) 12.231 5.230 ( 2.125 2.961 -11.676) 12.231 5.501 ( -3.592 1.411 6.643) 7.683 5.501 ( 3.592 1.411 6.643) 7.683 5.577 ( -2.356 0.254 -3.839) 4.512 5.577 ( 2.356 0.254 -3.839) 4.512 6.025 ( -1.569 -1.717 0.676) 2.422 6.025 ( 1.569 -1.717 0.676) 2.422 6.400 ( -4.673 -5.737 -2.060) 7.681 6.400 ( 4.673 -5.737 -2.060) 7.681 6.611 ( -0.995 3.306 -3.252) 4.743 6.611 ( 0.995 3.306 -3.252) 4.743 7.224 ( -2.604 -2.885 6.356) 7.450 7.224 ( 2.604 -2.885 6.356) 7.450 7.922 ( -6.105 -4.708 1.388) 7.833 7.922 ( 6.105 -4.708 1.388) 7.833 8.054 ( -3.615 -0.010 1.917) 4.092 8.054 ( 3.615 -0.010 1.917) 4.092 8.539 ( -3.438 -1.347 -5.670) 6.766 8.539 ( 3.438 -1.347 -5.670) 6.766 8.760 ( -3.480 4.069 -12.611) 13.700 8.760 ( 3.480 4.069 -12.611) 13.700 9.740 ( -1.459 4.342 -2.428) 5.185 9.740 ( 1.459 4.342 -2.428) 5.185 10.209 ( -2.087 -1.419 -1.486) 2.929 10.209 ( 2.087 -1.419 -1.486) 2.929 10.632 ( -5.853 3.230 0.191) 6.688 10.632 ( 5.853 3.230 0.191) 6.688 10.981 ( -5.470 11.685 -10.656) 16.733 10.981 ( 5.470 11.685 -10.656) 16.733 11.156 ( -5.891 1.660 3.975) 7.298 11.156 ( 5.891 1.660 3.975) 7.298 11.609 ( -0.615 -5.486 11.291) 12.569 11.609 ( 0.615 -5.486 11.291) 12.569 12.129 ( -0.715 -3.122 0.905) 3.328 12.129 ( 0.715 -3.122 0.905) 3.328 12.490 ( -0.052 -2.567 -7.075) 7.527 12.490 ( 0.052 -2.567 -7.075) 7.527 13.414 ( -3.923 0.223 7.162) 8.169 13.414 ( 3.923 0.223 7.162) 8.169 13.710 ( -10.526 -4.074 5.930) 12.750 13.710 ( 10.526 -4.074 5.930) 12.750 18.866 ( -3.865 0.047 5.095) 6.395 18.866 ( 3.865 0.047 5.095) 6.395 19.211 ( -1.394 -5.405 2.053) 5.948 19.211 ( 1.394 -5.405 2.053) 5.948 19.618 ( -4.227 7.280 -6.299) 10.514 19.618 ( 4.227 7.280 -6.299) 10.514 19.778 ( -4.921 11.301 -8.738) 15.109 19.778 ( 4.921 11.301 -8.738) 15.109 20.913 ( -0.491 -0.610 1.069) 1.325 20.913 ( 0.491 -0.610 1.069) 1.325 21.010 ( -0.265 -1.514 -0.251) 1.557 21.010 ( 0.265 -1.514 -0.251) 1.557 21.637 ( -1.014 0.426 6.960) 7.046 21.637 ( 1.014 0.426 6.960) 7.046 22.229 ( -8.835 -5.764 5.612) 11.949 22.229 ( 8.835 -5.764 5.612) 11.949 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 14.720 4.141) 15.291 1.628 ( 0.000 7.598 14.588) 16.448 1.696 ( 0.000 10.909 10.468) 15.118 1.826 ( 0.000 2.922 1.523) 3.295 1.971 ( 0.000 9.851 3.757) 10.543 2.331 ( 0.000 -2.440 1.327) 2.777 2.347 ( 0.000 3.964 4.787) 6.215 2.413 ( 0.000 8.782 -7.363) 11.460 2.448 ( 0.000 7.345 -7.923) 10.804 2.579 ( 0.000 5.044 7.813) 9.299 2.582 ( 0.000 -3.533 -1.579) 3.870 2.716 ( 0.000 2.610 -2.743) 3.786 2.857 ( 0.000 4.777 -5.605) 7.365 2.928 ( 0.000 5.113 -7.606) 9.165 3.163 ( 0.000 -3.311 -2.576) 4.194 3.236 ( 0.000 -3.709 8.170) 8.973 3.354 ( 0.000 -0.463 -1.315) 1.394 3.384 ( 0.000 12.008 26.626) 29.208 3.476 ( 0.000 -4.721 10.564) 11.571 3.658 ( 0.000 1.327 4.861) 5.039 3.740 ( 0.000 2.998 0.252) 3.008 4.133 ( 0.000 7.592 -7.137) 10.420 4.157 ( 0.000 0.744 -15.800) 15.817 4.535 ( 0.000 -2.773 -4.531) 5.313 4.654 ( 0.000 0.781 -16.594) 16.613 5.047 ( 0.000 -4.398 -9.533) 10.499 5.055 ( 0.000 -3.946 -5.088) 6.438 5.239 ( 0.000 -3.260 -7.752) 8.410 5.459 ( 0.000 4.127 0.323) 4.140 5.473 ( 0.000 0.562 -0.291) 0.633 5.667 ( 0.000 7.163 1.877) 7.405 5.715 ( 0.000 6.842 4.919) 8.427 5.961 ( 0.000 -3.836 1.033) 3.972 5.975 ( 0.000 -6.723 0.694) 6.759 6.162 ( 0.000 -5.244 -5.482) 7.586 6.395 ( 0.000 -8.026 -5.422) 9.685 6.657 ( 0.000 4.945 -1.699) 5.229 6.668 ( 0.000 1.218 4.230) 4.402 7.108 ( 0.000 -4.937 6.431) 8.108 7.229 ( 0.000 -6.281 4.774) 7.889 7.593 ( 0.000 -3.332 4.018) 5.220 7.787 ( 0.000 -9.796 -7.105) 12.102 8.066 ( 0.000 4.307 2.495) 4.977 8.327 ( 0.000 0.617 -1.519) 1.639 8.455 ( 0.000 -1.898 -1.437) 2.380 8.660 ( 0.000 3.387 -13.063) 13.495 8.690 ( 0.000 -6.167 -10.057) 11.797 8.806 ( 0.000 7.547 -7.773) 10.834 9.775 ( 0.000 5.779 2.476) 6.287 10.004 ( 0.000 7.998 -4.458) 9.156 10.184 ( 0.000 4.888 0.039) 4.888 10.321 ( 0.000 3.078 -5.350) 6.172 10.396 ( 0.000 2.606 7.761) 8.187 10.786 ( 0.000 3.012 0.899) 3.143 11.086 ( 0.000 8.447 10.557) 13.520 11.093 ( 0.000 9.183 -3.119) 9.698 11.281 ( 0.000 -1.191 -0.281) 1.223 11.368 ( 0.000 4.853 -6.594) 8.187 11.521 ( 0.000 1.726 5.369) 5.640 11.523 ( 0.000 -1.920 5.811) 6.120 12.070 ( 0.000 -4.792 2.583) 5.444 12.075 ( 0.000 -7.212 -3.631) 8.075 12.404 ( 0.000 -6.232 -7.464) 9.723 12.421 ( 0.000 -5.545 -7.766) 9.543 13.300 ( 0.000 0.430 8.640) 8.651 13.402 ( 0.000 -1.358 6.948) 7.079 13.539 ( 0.000 0.567 8.061) 8.081 13.859 ( 0.000 -10.224 3.558) 10.825 18.752 ( 0.000 0.447 2.997) 3.031 18.917 ( 0.000 -1.864 0.981) 2.106 19.056 ( 0.000 -3.535 3.968) 5.314 19.159 ( 0.000 -4.065 4.078) 5.758 19.769 ( 0.000 18.894 -5.447) 19.663 19.837 ( 0.000 11.475 -5.040) 12.533 19.945 ( 0.000 11.568 -5.142) 12.659 20.131 ( 0.000 7.115 -12.896) 14.728 20.882 ( 0.000 -1.434 1.065) 1.786 20.909 ( 0.000 -1.597 0.538) 1.685 20.952 ( 0.000 -3.135 0.093) 3.136 20.974 ( 0.000 -2.668 -0.889) 2.812 21.642 ( 0.000 2.697 6.829) 7.342 21.663 ( 0.000 0.076 7.522) 7.522 21.932 ( 0.000 -5.182 9.307) 10.652 22.291 ( 0.000 -13.936 2.200) 14.109 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 1.036 12.912 1.689) 13.063 1.627 ( 0.680 5.813 11.697) 13.079 1.697 ( -0.125 11.124 8.497) 13.999 1.804 ( -2.326 2.569 2.725) 4.409 2.006 ( 3.113 8.920 7.143) 11.844 2.267 ( -5.923 4.052 8.312) 10.981 2.318 ( -0.709 1.171 -2.881) 3.190 2.377 ( -2.702 6.107 -5.380) 8.575 2.438 ( 0.468 7.796 -3.818) 8.693 2.538 ( -2.475 2.684 -1.810) 4.075 2.654 ( 4.796 -2.084 0.404) 5.245 2.782 ( 1.781 7.420 -4.028) 8.629 2.867 ( 3.026 2.015 0.899) 3.745 3.019 ( 3.805 4.166 -5.313) 7.750 3.152 ( -0.469 -3.681 2.836) 4.671 3.240 ( 2.451 -2.722 1.637) 4.012 3.356 ( 2.365 -2.455 4.789) 5.878 3.461 ( 0.564 2.518 12.974) 13.228 3.474 ( 2.020 3.756 7.615) 8.728 3.635 ( -2.445 -0.380 4.424) 5.069 3.734 ( 1.163 6.308 5.332) 8.341 4.079 ( -5.512 9.297 -0.104) 10.809 4.201 ( 3.124 2.034 -16.605) 17.018 4.397 ( -7.989 -0.064 -8.195) 11.445 4.705 ( 3.555 -1.762 -12.010) 12.648 4.977 ( -5.723 -3.591 -6.223) 9.186 5.117 ( 4.038 -6.481 -11.803) 14.057 5.234 ( -0.760 -3.753 -10.513) 11.188 5.478 ( 2.097 4.166 0.806) 4.733 5.503 ( 2.264 -0.068 1.661) 2.808 5.656 ( -1.177 4.930 1.272) 5.226 5.681 ( -2.796 6.276 4.905) 8.442 5.945 ( 0.265 -4.309 0.331) 4.330 5.997 ( 0.126 -3.848 0.767) 3.926 6.200 ( 3.167 -5.757 -4.927) 8.213 6.363 ( -2.781 -7.703 -4.549) 9.368 6.668 ( 0.815 4.782 -1.219) 5.002 6.671 ( 0.423 2.676 2.871) 3.947 7.112 ( 0.656 -4.966 6.217) 7.984 7.202 ( -2.223 -5.875 5.167) 8.133 7.675 ( 6.768 -3.623 3.369) 8.383 7.826 ( 2.992 -8.159 -6.562) 10.889 8.031 ( -2.874 0.799 1.648) 3.408 8.181 ( -9.300 -2.319 -1.632) 9.722 8.506 ( 2.499 0.546 -0.642) 2.638 8.632 ( -2.667 5.803 -6.408) 9.047 8.740 ( 3.908 -4.754 -13.873) 15.176 8.821 ( 0.660 5.405 -9.987) 11.374 9.799 ( 1.999 6.476 1.956) 7.054 9.947 ( -4.034 8.997 -2.151) 10.092 10.191 ( 0.505 2.660 0.192) 2.714 10.253 ( -2.787 1.499 0.161) 3.169 10.537 ( 8.036 3.570 0.916) 8.840 10.766 ( -1.924 2.591 0.842) 3.336 11.106 ( 2.559 4.967 8.001) 9.759 11.148 ( 3.890 12.005 -4.240) 13.313 11.267 ( -1.693 1.450 -0.381) 2.261 11.350 ( -2.440 10.998 -10.464) 15.376 11.447 ( -1.541 -7.878 10.018) 12.837 11.551 ( -1.095 0.112 5.955) 6.056 12.032 ( -0.816 -6.764 0.488) 6.830 12.088 ( -0.823 -4.374 0.337) 4.463 12.406 ( 0.124 -6.194 -7.633) 9.831 12.415 ( -0.388 -5.893 -7.804) 9.787 13.339 ( 3.153 0.567 8.098) 8.709 13.454 ( 3.661 -1.654 6.115) 7.317 13.515 ( -1.198 -0.088 8.888) 8.969 13.783 ( -6.213 -8.366 4.873) 11.504 18.788 ( 3.018 0.488 3.469) 4.624 18.928 ( -0.356 -0.369 3.484) 3.522 19.052 ( 0.651 -5.288 1.680) 5.587 19.145 ( -1.317 -4.588 3.438) 5.882 19.791 ( 1.705 16.995 -6.063) 18.125 19.837 ( -0.115 11.658 -5.157) 12.748 19.952 ( 0.854 11.765 -6.017) 13.242 20.087 ( -3.620 8.529 -12.178) 15.302 20.885 ( 0.289 -1.445 1.048) 1.809 20.903 ( -0.411 -1.611 0.702) 1.805 20.958 ( 0.451 -3.005 -0.099) 3.040 20.973 ( -0.102 -2.716 -0.752) 2.820 21.646 ( 0.306 2.254 6.946) 7.309 21.660 ( -0.214 0.584 7.470) 7.496 21.973 ( 3.641 -6.090 8.688) 11.217 22.225 ( -5.380 -12.073 3.877) 13.775 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -1.381 9.043 1.681) 9.301 1.631 ( 1.381 9.043 1.681) 9.301 1.726 ( -3.596 5.435 7.939) 10.271 1.726 ( 3.596 5.435 7.939) 10.271 2.117 ( -6.544 7.309 10.283) 14.212 2.117 ( 6.544 7.309 10.283) 14.212 2.329 ( -1.499 2.525 -4.229) 5.149 2.329 ( 1.499 2.525 -4.229) 5.149 2.474 ( -2.708 6.419 -4.314) 8.195 2.474 ( 2.708 6.419 -4.314) 8.195 2.753 ( -3.400 0.460 -0.626) 3.488 2.753 ( 3.400 0.460 -0.626) 3.488 2.972 ( -4.718 3.576 1.762) 6.177 2.972 ( 4.718 3.576 1.762) 6.177 3.242 ( -3.214 -2.312 1.656) 4.291 3.242 ( 3.214 -2.312 1.656) 4.291 3.418 ( -3.903 -1.003 0.614) 4.076 3.418 ( 3.903 -1.003 0.614) 4.076 3.550 ( -5.755 -1.098 3.534) 6.842 3.550 ( 5.755 -1.098 3.534) 6.842 3.873 ( -10.538 12.673 13.480) 21.292 3.873 ( 10.538 12.673 13.480) 21.292 4.276 ( -3.545 1.825 -16.321) 16.801 4.276 ( 3.545 1.825 -16.321) 16.801 4.824 ( -6.913 -3.521 -7.325) 10.670 4.824 ( 6.913 -3.521 -7.325) 10.670 5.195 ( -2.716 -5.924 -13.307) 14.817 5.195 ( 2.716 -5.924 -13.307) 14.817 5.535 ( -1.201 1.961 1.864) 2.960 5.535 ( 1.201 1.961 1.864) 2.960 5.628 ( -0.376 4.096 3.062) 5.128 5.628 ( 0.376 4.096 3.062) 5.128 5.974 ( -1.783 -3.064 0.006) 3.545 5.974 ( 1.783 -3.064 0.006) 3.545 6.284 ( -3.964 -6.480 -3.877) 8.528 6.284 ( 3.964 -6.480 -3.877) 8.528 6.680 ( -0.035 4.105 0.324) 4.118 6.680 ( 0.035 4.105 0.324) 4.118 7.146 ( -2.328 -5.228 5.800) 8.148 7.146 ( 2.328 -5.228 5.800) 8.148 7.838 ( -5.192 -3.743 -0.584) 6.427 7.838 ( 5.192 -3.743 -0.584) 6.427 8.006 ( -4.027 -4.529 -1.112) 6.161 8.006 ( 4.027 -4.529 -1.112) 6.161 8.565 ( -2.970 3.738 -2.394) 5.341 8.565 ( 2.970 3.738 -2.394) 5.341 8.811 ( -1.871 0.950 -12.777) 12.949 8.811 ( 1.871 0.950 -12.777) 12.949 9.860 ( -3.430 8.169 0.501) 8.874 9.860 ( 3.430 8.169 0.501) 8.874 10.209 ( -1.235 1.325 0.640) 1.921 10.209 ( 1.235 1.325 0.640) 1.921 10.690 ( -5.137 2.664 0.221) 5.791 10.690 ( 5.137 2.664 0.221) 5.791 11.190 ( -4.071 1.244 6.728) 7.962 11.190 ( 4.071 1.244 6.728) 7.962 11.255 ( -4.680 14.878 -12.395) 19.922 11.255 ( 4.680 14.878 -12.395) 19.922 11.486 ( -3.653 -5.299 8.625) 10.762 11.486 ( 3.653 -5.299 8.625) 10.762 12.049 ( -1.965 -4.944 1.276) 5.471 12.049 ( 1.965 -4.944 1.276) 5.471 12.409 ( -0.155 -6.147 -7.806) 9.936 12.409 ( 0.155 -6.147 -7.806) 9.936 13.422 ( -3.846 0.677 7.301) 8.279 13.422 ( 3.846 0.677 7.301) 8.279 13.619 ( -7.619 -4.939 7.073) 11.510 13.619 ( 7.619 -4.939 7.073) 11.510 18.871 ( -3.911 0.572 4.520) 6.004 18.871 ( 3.911 0.572 4.520) 6.004 19.099 ( -2.683 -5.789 1.590) 6.575 19.099 ( 2.683 -5.789 1.590) 6.575 19.826 ( -1.043 13.130 -5.839) 14.408 19.826 ( 1.043 13.130 -5.839) 14.408 19.999 ( -3.470 11.276 -9.346) 15.051 19.999 ( 3.470 11.276 -9.346) 15.051 20.893 ( -0.449 -1.523 0.936) 1.843 20.893 ( 0.449 -1.523 0.936) 1.843 20.968 ( -0.363 -2.837 -0.440) 2.894 20.968 ( 0.363 -2.837 -0.440) 2.894 21.653 ( -0.362 1.438 7.236) 7.386 21.653 ( 0.362 1.438 7.236) 7.386 22.087 ( -6.198 -8.612 6.789) 12.596 22.087 ( 6.198 -8.612 6.789) 12.596 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 7.239 10.214) 12.519 1.825 ( 0.000 9.290 2.441) 9.605 1.851 ( 0.000 5.132 7.671) 9.229 1.895 ( 0.000 3.343 1.500) 3.664 2.122 ( 0.000 6.618 7.753) 10.194 2.283 ( 0.000 -1.734 7.664) 7.858 2.439 ( 0.000 3.954 2.376) 4.613 2.500 ( 0.000 -0.885 -8.170) 8.218 2.504 ( 0.000 -3.142 -2.468) 3.996 2.533 ( 0.000 1.945 -4.851) 5.226 2.706 ( 0.000 8.029 15.188) 17.180 2.752 ( 0.000 1.253 2.323) 2.640 2.875 ( 0.000 -1.954 -2.991) 3.573 3.033 ( 0.000 5.767 -4.715) 7.449 3.143 ( 0.000 -7.086 5.508) 8.975 3.179 ( 0.000 3.755 -4.035) 5.512 3.331 ( 0.000 -1.795 -2.373) 2.976 3.360 ( 0.000 -2.948 6.626) 7.252 3.649 ( 0.000 7.846 7.084) 10.570 3.693 ( 0.000 1.748 1.909) 2.588 3.864 ( 0.000 13.503 11.510) 17.743 4.148 ( 0.000 -1.288 -13.421) 13.483 4.248 ( 0.000 3.410 -7.636) 8.362 4.494 ( 0.000 -3.089 -3.375) 4.575 4.736 ( 0.000 7.425 -23.364) 24.515 4.922 ( 0.000 -8.073 -7.469) 10.998 4.978 ( 0.000 -1.920 -6.866) 7.129 5.166 ( 0.000 -5.212 -10.834) 12.022 5.488 ( 0.000 0.506 -1.205) 1.307 5.503 ( 0.000 0.445 -2.880) 2.915 5.761 ( 0.000 1.270 1.190) 1.740 5.775 ( 0.000 -1.426 5.988) 6.156 5.907 ( 0.000 0.342 2.905) 2.925 5.927 ( 0.000 3.272 -2.183) 3.933 6.075 ( 0.000 -3.506 -3.449) 4.918 6.238 ( 0.000 -8.192 -4.662) 9.426 6.731 ( 0.000 4.981 5.145) 7.161 6.764 ( 0.000 6.404 0.271) 6.410 6.996 ( 0.000 -6.542 6.449) 9.187 7.089 ( 0.000 -8.262 4.718) 9.514 7.546 ( 0.000 -1.152 1.402) 1.814 7.636 ( 0.000 -6.020 -4.583) 7.566 8.164 ( 0.000 5.993 -2.615) 6.539 8.343 ( 0.000 1.235 -1.295) 1.789 8.396 ( 0.000 -3.842 -5.716) 6.887 8.500 ( 0.000 -9.028 -8.203) 12.198 8.804 ( 0.000 6.632 -7.450) 9.974 8.900 ( 0.000 2.319 -7.962) 8.293 9.922 ( 0.000 8.794 2.981) 9.286 10.096 ( 0.000 1.621 0.434) 1.678 10.266 ( 0.000 3.738 -0.169) 3.742 10.357 ( 0.000 0.087 -5.974) 5.975 10.501 ( 0.000 8.398 10.098) 13.134 10.880 ( 0.000 6.899 3.195) 7.602 10.990 ( 0.000 -13.777 12.197) 18.400 11.217 ( 0.000 -3.511 7.853) 8.602 11.312 ( 0.000 3.996 8.451) 9.348 11.415 ( 0.000 9.232 -3.716) 9.952 11.583 ( 0.000 6.224 -5.260) 8.149 11.735 ( 0.000 13.498 -10.652) 17.195 11.920 ( 0.000 -8.241 -4.505) 9.392 11.993 ( 0.000 -1.563 2.035) 2.566 12.251 ( 0.000 -9.825 -8.720) 13.137 12.279 ( 0.000 -9.270 -7.513) 11.933 13.315 ( 0.000 1.108 8.731) 8.801 13.373 ( 0.000 -1.665 7.667) 7.846 13.559 ( 0.000 1.705 7.403) 7.597 13.699 ( 0.000 -6.483 6.105) 8.905 18.769 ( 0.000 1.411 2.021) 2.464 18.864 ( 0.000 -3.274 -0.130) 3.277 19.025 ( 0.000 0.019 5.922) 5.922 19.091 ( 0.000 -3.088 4.812) 5.718 20.059 ( 0.000 10.984 -6.219) 12.623 20.083 ( 0.000 12.934 -7.819) 15.113 20.143 ( 0.000 8.415 -6.139) 10.416 20.237 ( 0.000 3.114 -11.019) 11.450 20.853 ( 0.000 -1.212 0.653) 1.377 20.870 ( 0.000 -2.223 0.249) 2.237 20.888 ( 0.000 -3.212 0.329) 3.229 20.916 ( 0.000 -3.283 -0.914) 3.408 21.676 ( 0.000 1.547 7.837) 7.988 21.710 ( 0.000 4.274 6.712) 7.957 21.833 ( 0.000 -4.631 9.133) 10.240 22.041 ( 0.000 -11.825 5.759) 13.153 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -1.328 5.923 6.204) 8.679 1.792 ( -1.594 6.815 0.268) 7.004 1.840 ( -1.953 3.455 3.544) 5.321 1.870 ( -2.018 3.566 1.533) 4.375 2.142 ( 2.328 6.238 10.537) 12.464 2.307 ( 1.239 1.470 8.254) 8.474 2.382 ( -3.789 3.565 4.303) 6.751 2.452 ( -1.441 2.006 -2.590) 3.579 2.535 ( 0.488 1.372 -1.164) 1.865 2.600 ( -3.391 4.518 8.362) 10.091 2.620 ( 4.765 -2.226 -2.545) 5.842 2.814 ( -3.555 -4.473 1.482) 5.903 2.912 ( 7.531 5.015 1.175) 9.124 3.106 ( 4.560 3.627 -2.237) 6.241 3.152 ( 1.168 -0.095 0.255) 1.199 3.205 ( -0.224 -0.849 1.342) 1.604 3.311 ( 1.704 0.791 -0.593) 1.970 3.400 ( 3.215 -3.669 2.561) 5.510 3.598 ( -5.487 3.483 -0.011) 6.499 3.639 ( -3.954 0.885 2.437) 4.729 3.943 ( 6.379 14.893 13.365) 21.003 4.180 ( 1.184 1.215 -8.028) 8.205 4.271 ( 2.073 3.695 -9.632) 10.522 4.412 ( -5.675 0.700 -3.486) 6.697 4.737 ( 0.043 5.404 -18.950) 19.705 4.878 ( -3.653 -6.203 -8.418) 11.076 4.985 ( 1.126 -5.864 -9.994) 11.642 5.135 ( -2.886 -6.835 -12.833) 14.823 5.511 ( 2.692 0.891 2.487) 3.771 5.537 ( 2.470 1.643 -2.807) 4.084 5.711 ( -3.211 0.582 0.652) 3.328 5.747 ( -3.132 -0.373 3.575) 4.767 5.914 ( 1.522 2.014 0.904) 2.681 5.961 ( 1.052 1.641 0.708) 2.073 6.094 ( 1.923 -5.155 -4.114) 6.870 6.214 ( -2.031 -7.839 -4.465) 9.247 6.747 ( 1.293 5.209 4.487) 6.996 6.773 ( 0.547 6.299 1.261) 6.447 7.002 ( 0.642 -6.491 5.917) 8.807 7.071 ( -1.516 -7.685 4.901) 9.240 7.625 ( 6.637 -1.350 0.884) 6.830 7.697 ( 5.226 -5.197 -4.678) 8.729 8.045 ( -8.317 0.871 -1.841) 8.563 8.128 ( -11.546 -3.121 -3.987) 12.608 8.520 ( 6.290 1.510 -2.192) 6.830 8.645 ( 8.093 -4.814 -9.567) 13.424 8.759 ( -3.687 6.420 -5.835) 9.426 8.880 ( -2.102 0.783 -9.268) 9.536 9.954 ( 2.775 9.097 2.664) 9.877 10.096 ( -0.720 5.437 1.037) 5.581 10.238 ( -2.038 2.199 -0.327) 3.016 10.286 ( -3.065 1.381 -0.376) 3.383 10.610 ( 6.621 4.925 5.164) 9.735 10.843 ( -3.192 5.901 3.475) 7.555 11.015 ( 2.388 -12.604 12.068) 17.613 11.181 ( -3.283 -8.042 8.991) 12.502 11.364 ( 4.630 6.598 5.964) 10.027 11.442 ( 2.194 9.164 -4.334) 10.372 11.553 ( -2.180 9.005 -7.911) 12.183 11.691 ( -4.816 9.499 -7.987) 13.312 11.906 ( 1.218 -4.048 -1.163) 4.384 12.011 ( -0.201 -2.390 0.086) 2.400 12.252 ( 0.095 -9.941 -8.508) 13.085 12.266 ( -0.777 -9.518 -8.068) 12.502 13.355 ( 3.290 1.137 8.280) 8.982 13.418 ( 3.811 -2.007 7.514) 8.661 13.528 ( -2.663 1.420 7.631) 8.206 13.650 ( -4.159 -5.558 6.596) 9.576 18.806 ( 3.094 1.477 2.541) 4.268 18.900 ( 2.719 -2.734 0.846) 3.947 18.994 ( -2.451 -0.501 4.892) 5.495 19.067 ( -2.100 -3.544 4.043) 5.772 20.060 ( 0.170 10.963 -6.226) 12.609 20.078 ( -0.412 12.183 -7.230) 14.172 20.150 ( 0.703 8.133 -7.246) 10.916 20.216 ( -1.635 4.218 -10.607) 11.531 20.855 ( 0.202 -1.286 0.690) 1.473 20.866 ( -0.258 -1.963 0.521) 2.047 20.896 ( 0.543 -3.293 -0.022) 3.337 20.914 ( -0.171 -3.312 -0.780) 3.407 21.682 ( 0.519 2.131 7.751) 8.056 21.709 ( -0.206 4.273 7.098) 8.287 21.855 ( 2.068 -5.950 8.647) 10.698 22.004 ( -3.083 -10.660 6.366) 12.793 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -1.981 4.808 0.544) 5.229 1.753 ( 1.981 4.808 0.544) 5.229 1.822 ( -1.505 2.786 0.933) 3.301 1.822 ( 1.505 2.786 0.933) 3.301 2.232 ( -5.323 5.848 11.677) 14.102 2.232 ( 5.323 5.848 11.677) 14.102 2.400 ( -3.143 3.326 2.396) 5.165 2.400 ( 3.143 3.326 2.396) 5.165 2.552 ( -1.175 1.731 4.124) 4.624 2.552 ( 1.175 1.731 4.124) 4.624 2.720 ( -4.250 -2.821 -0.445) 5.121 2.720 ( 4.250 -2.821 -0.445) 5.121 3.077 ( -6.028 5.370 0.046) 8.073 3.077 ( 6.028 5.370 0.046) 8.073 3.193 ( -1.072 -2.468 2.813) 3.893 3.193 ( 1.072 -2.468 2.813) 3.893 3.432 ( -7.954 2.168 -2.846) 8.722 3.432 ( 7.954 2.168 -2.846) 8.722 3.520 ( -6.433 -1.659 0.605) 6.671 3.520 ( 6.433 -1.659 0.605) 6.671 4.107 ( -7.207 10.791 8.105) 15.299 4.107 ( 7.207 10.791 8.105) 15.299 4.325 ( -2.367 2.307 -10.565) 11.070 4.325 ( 2.367 2.307 -10.565) 11.070 4.777 ( -4.078 -0.267 -12.281) 12.943 4.777 ( 4.078 -0.267 -12.281) 12.943 5.049 ( -4.133 -8.944 -13.027) 16.334 5.049 ( 4.133 -8.944 -13.027) 16.334 5.577 ( -1.172 2.579 2.228) 3.604 5.577 ( 1.172 2.579 2.228) 3.604 5.670 ( -1.839 -0.454 -0.211) 1.906 5.670 ( 1.839 -0.454 -0.211) 1.906 5.953 ( -1.484 1.773 0.754) 2.432 5.953 ( 1.484 1.773 0.754) 2.432 6.155 ( -3.054 -6.952 -4.226) 8.690 6.155 ( 3.054 -6.952 -4.226) 8.690 6.773 ( -0.704 5.789 3.034) 6.574 6.773 ( 0.704 5.789 3.034) 6.574 7.030 ( -1.856 -6.813 5.214) 8.777 7.030 ( 1.856 -6.813 5.214) 8.777 7.795 ( -4.454 -0.484 -2.022) 4.915 7.795 ( 4.454 -0.484 -2.022) 4.915 7.907 ( -4.245 -5.318 -2.604) 7.285 7.907 ( 4.245 -5.318 -2.604) 7.285 8.654 ( -5.534 4.960 -3.303) 8.132 8.654 ( 5.534 4.960 -3.303) 8.132 8.798 ( -5.311 -2.079 -10.322) 11.793 8.798 ( 5.311 -2.079 -10.322) 11.793 10.035 ( -4.032 9.570 1.927) 10.562 10.035 ( 4.032 9.570 1.927) 10.562 10.235 ( -1.655 0.331 0.495) 1.759 10.235 ( 1.655 0.331 0.495) 1.759 10.746 ( -5.336 4.212 3.975) 7.875 10.746 ( 5.336 4.212 3.975) 7.875 11.092 ( -4.162 -10.630 10.890) 15.777 11.092 ( 4.162 -10.630 10.890) 15.777 11.466 ( -2.696 7.328 -1.062) 7.881 11.466 ( 2.696 7.328 -1.062) 7.881 11.556 ( -5.277 9.609 -7.263) 13.151 11.556 ( 5.277 9.609 -7.263) 13.151 11.967 ( -3.193 -2.021 -0.100) 3.780 11.967 ( 3.193 -2.021 -0.100) 3.780 12.255 ( -0.232 -9.897 -8.470) 13.029 12.255 ( 0.232 -9.897 -8.470) 13.029 13.442 ( -3.923 1.410 7.476) 8.560 13.442 ( 3.923 1.410 7.476) 8.560 13.535 ( -5.432 -3.745 7.604) 10.067 13.535 ( 5.432 -3.745 7.604) 10.067 18.891 ( -3.871 1.567 3.807) 5.651 18.891 ( 3.871 1.567 3.807) 5.651 19.002 ( -3.340 -4.405 2.204) 5.952 19.002 ( 3.340 -4.405 2.204) 5.952 20.068 ( -0.460 11.218 -6.461) 12.954 20.068 ( 0.460 11.218 -6.461) 12.954 20.177 ( -1.637 6.560 -9.247) 11.455 20.177 ( 1.637 6.560 -9.247) 11.455 20.861 ( -0.247 -1.544 0.700) 1.713 20.861 ( 0.247 -1.544 0.700) 1.713 20.907 ( -0.451 -3.345 -0.450) 3.405 20.907 ( 0.451 -3.345 -0.450) 3.405 21.698 ( -0.754 3.362 7.570) 8.317 21.698 ( 0.754 3.362 7.570) 8.317 21.922 ( -3.749 -8.255 7.566) 11.809 21.922 ( 3.749 -8.255 7.566) 11.809 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 -2.593 5.744) 6.302 1.875 ( 0.000 2.593 5.744) 6.302 1.922 ( 0.000 -1.176 2.223) 2.515 1.922 ( 0.000 1.176 2.223) 2.515 2.234 ( 0.000 -4.543 12.206) 13.024 2.234 ( 0.000 4.543 12.206) 13.024 2.463 ( 0.000 -0.188 -4.880) 4.884 2.463 ( 0.000 0.188 -4.880) 4.884 2.514 ( 0.000 -2.956 -0.179) 2.961 2.514 ( 0.000 2.956 -0.179) 2.961 2.785 ( 0.000 -1.840 3.163) 3.659 2.785 ( 0.000 1.840 3.163) 3.659 2.941 ( 0.000 -10.863 7.907) 13.436 2.941 ( 0.000 10.863 7.907) 13.436 3.160 ( 0.000 -5.491 -3.013) 6.263 3.160 ( 0.000 5.491 -3.013) 6.263 3.339 ( 0.000 -1.289 -0.527) 1.392 3.339 ( 0.000 1.289 -0.527) 1.392 3.705 ( 0.000 -0.547 -0.985) 1.127 3.705 ( 0.000 0.547 -0.985) 1.127 4.108 ( 0.000 -5.548 -0.514) 5.572 4.108 ( 0.000 5.548 -0.514) 5.572 4.342 ( 0.000 -10.231 -2.120) 10.448 4.342 ( 0.000 10.231 -2.120) 10.448 4.839 ( 0.000 -1.920 -17.077) 17.185 4.839 ( 0.000 1.920 -17.077) 17.185 5.030 ( 0.000 -7.697 -10.277) 12.840 5.030 ( 0.000 7.697 -10.277) 12.840 5.493 ( 0.000 -0.588 -3.649) 3.696 5.493 ( 0.000 0.588 -3.649) 3.696 5.755 ( 0.000 -0.066 6.756) 6.756 5.755 ( 0.000 0.066 6.756) 6.756 5.953 ( 0.000 -2.379 -3.182) 3.973 5.953 ( 0.000 2.379 -3.182) 3.973 6.095 ( 0.000 -6.166 -2.090) 6.511 6.095 ( 0.000 6.166 -2.090) 6.511 6.835 ( 0.000 -4.280 2.795) 5.112 6.835 ( 0.000 4.280 2.795) 5.112 6.936 ( 0.000 -5.898 5.921) 8.357 6.936 ( 0.000 5.898 5.921) 8.357 7.557 ( 0.000 -2.330 -1.576) 2.813 7.557 ( 0.000 2.330 -1.576) 2.813 8.292 ( 0.000 -7.083 -8.344) 10.945 8.292 ( 0.000 7.083 -8.344) 10.945 8.381 ( 0.000 -3.254 -0.904) 3.377 8.381 ( 0.000 3.254 -0.904) 3.377 8.896 ( 0.000 -2.692 -7.777) 8.230 8.896 ( 0.000 2.692 -7.777) 8.230 10.063 ( 0.000 -5.043 1.968) 5.413 10.063 ( 0.000 5.043 1.968) 5.413 10.328 ( 0.000 -2.691 -2.764) 3.858 10.328 ( 0.000 2.691 -2.764) 3.858 10.713 ( 0.000 -13.681 12.523) 18.547 10.713 ( 0.000 13.681 12.523) 18.547 11.046 ( 0.000 -9.830 6.420) 11.741 11.046 ( 0.000 9.830 6.420) 11.741 11.458 ( 0.000 -5.430 6.334) 8.343 11.458 ( 0.000 5.430 6.334) 8.343 11.722 ( 0.000 -8.827 -10.247) 13.524 11.722 ( 0.000 8.827 -10.247) 13.524 12.005 ( 0.000 -8.596 -5.957) 10.459 12.005 ( 0.000 8.596 -5.957) 10.459 12.104 ( 0.000 -5.100 -6.931) 8.605 12.104 ( 0.000 5.100 -6.931) 8.605 13.341 ( 0.000 -1.594 8.338) 8.489 13.341 ( 0.000 1.594 8.338) 8.489 13.607 ( 0.000 -3.485 6.911) 7.740 13.607 ( 0.000 3.485 6.911) 7.740 18.807 ( 0.000 -2.558 0.884) 2.706 18.807 ( 0.000 2.558 0.884) 2.706 19.044 ( 0.000 -1.783 5.536) 5.816 19.044 ( 0.000 1.783 5.536) 5.816 20.217 ( 0.000 -2.796 -8.360) 8.815 20.217 ( 0.000 2.796 -8.360) 8.815 20.226 ( 0.000 -1.151 -7.575) 7.662 20.226 ( 0.000 1.151 -7.575) 7.662 20.843 ( 0.000 -0.147 0.304) 0.338 20.843 ( 0.000 0.147 0.304) 0.338 20.864 ( 0.000 -1.491 -0.199) 1.504 20.864 ( 0.000 1.491 -0.199) 1.504 21.723 ( 0.000 -3.049 7.801) 8.376 21.723 ( 0.000 3.049 7.801) 8.376 21.855 ( 0.000 -7.485 7.462) 10.570 21.855 ( 0.000 7.485 7.462) 10.570 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -2.365 -2.381 1.952) 3.882 1.830 ( -2.365 2.381 1.952) 3.882 1.887 ( -2.993 -1.540 0.188) 3.371 1.887 ( -2.993 1.540 0.188) 3.371 2.263 ( 2.895 -5.850 12.445) 14.053 2.263 ( 2.895 5.850 12.445) 14.053 2.460 ( -3.948 -4.189 4.985) 7.615 2.460 ( -3.948 4.189 4.985) 7.615 2.541 ( 4.712 -4.306 -1.679) 6.600 2.541 ( 4.712 4.306 -1.679) 6.600 2.723 ( -3.955 -5.907 3.969) 8.142 2.723 ( -3.955 5.907 3.969) 8.142 3.020 ( 5.589 -7.033 2.900) 9.440 3.020 ( 5.589 7.033 2.900) 9.440 3.200 ( 1.271 -3.517 0.032) 3.740 3.200 ( 1.271 3.517 0.032) 3.740 3.349 ( 2.547 -2.294 -2.372) 4.168 3.349 ( 2.547 2.294 -2.372) 4.168 3.638 ( -5.519 -1.204 -1.354) 5.809 3.638 ( -5.519 1.204 -1.354) 5.809 4.174 ( 4.832 -4.921 -0.689) 6.931 4.174 ( 4.832 4.921 -0.689) 6.931 4.335 ( -0.949 -7.284 -1.606) 7.519 4.335 ( -0.949 7.284 -1.606) 7.519 4.822 ( -0.357 -1.898 -15.507) 15.626 4.822 ( -0.357 1.898 -15.507) 15.626 4.980 ( -4.310 -7.627 -11.736) 14.645 4.980 ( -4.310 7.627 -11.736) 14.645 5.535 ( 3.508 -1.392 -2.305) 4.423 5.535 ( 3.508 1.392 -2.305) 4.423 5.719 ( -3.051 -1.067 4.155) 5.264 5.719 ( -3.051 1.067 4.155) 5.264 5.978 ( 2.034 -3.443 -2.268) 4.597 5.978 ( 2.034 3.443 -2.268) 4.597 6.077 ( -1.555 -5.790 -2.030) 6.329 6.077 ( -1.555 5.790 -2.030) 6.329 6.854 ( 1.580 -4.330 3.335) 5.689 6.854 ( 1.580 4.330 3.335) 5.689 6.928 ( -0.849 -5.505 5.533) 7.852 6.928 ( -0.849 5.505 5.533) 7.852 7.630 ( 6.327 -1.918 -1.934) 6.888 7.630 ( 6.327 1.918 -1.934) 6.888 8.074 ( -11.659 -2.292 -4.104) 12.571 8.074 ( -11.659 2.292 -4.104) 12.571 8.566 ( 8.887 -3.371 -5.174) 10.822 8.566 ( 8.887 3.371 -5.174) 10.822 8.854 ( -3.630 -3.329 -7.455) 8.935 8.854 ( -3.630 3.329 -7.455) 8.935 10.100 ( 3.073 -4.914 1.710) 6.043 10.100 ( 3.073 4.914 1.710) 6.043 10.282 ( -3.629 -1.915 -1.082) 4.243 10.282 ( -3.629 1.915 -1.082) 4.243 10.766 ( 4.282 -11.740 10.884) 16.572 10.766 ( 4.282 11.740 10.884) 16.572 10.993 ( -4.217 -9.692 7.367) 12.884 10.993 ( -4.217 9.692 7.367) 12.884 11.503 ( 3.627 -4.189 3.653) 6.637 11.503 ( 3.627 4.189 3.653) 6.637 11.685 ( -3.069 -5.617 -7.632) 9.961 11.685 ( -3.069 5.617 -7.632) 9.961 12.019 ( 1.213 -8.481 -6.508) 10.759 12.019 ( 1.213 8.481 -6.508) 10.759 12.088 ( -1.296 -4.994 -7.050) 8.736 12.088 ( -1.296 4.994 -7.050) 8.736 13.382 ( 3.444 -1.683 8.110) 8.971 13.382 ( 3.444 1.683 8.110) 8.971 13.570 ( -3.208 -3.079 7.136) 8.408 13.570 ( -3.208 3.079 7.136) 8.408 18.845 ( 3.197 -2.638 1.460) 4.395 18.845 ( 3.197 2.638 1.460) 4.395 19.013 ( -2.691 -2.096 4.765) 5.860 19.013 ( -2.691 2.096 4.765) 5.860 20.214 ( -0.178 -3.118 -8.238) 8.810 20.214 ( -0.178 3.118 -8.238) 8.810 20.220 ( -0.393 -2.051 -7.667) 7.946 20.220 ( -0.393 2.051 -7.667) 7.946 20.848 ( 0.357 -0.648 0.249) 0.780 20.848 ( 0.357 0.648 0.249) 0.780 20.862 ( -0.159 -1.414 -0.110) 1.427 20.862 ( -0.159 1.414 -0.110) 1.427 21.741 ( 1.535 -3.688 7.814) 8.776 21.741 ( 1.535 3.688 7.814) 8.776 21.834 ( -1.752 -6.784 7.580) 10.322 21.834 ( -1.752 6.784 7.580) 10.322 ======================= Grid point 159 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -1.862 -2.235 -1.137) 3.123 1.822 ( 1.821 -2.226 -1.137) 3.093 1.822 ( -1.821 2.226 -1.137) 3.093 1.822 ( 1.862 2.235 -1.137) 3.123 2.355 ( -4.713 -6.404 10.706) 13.336 2.355 ( 4.091 -6.296 10.706) 13.077 2.355 ( -4.091 6.296 10.706) 13.077 2.355 ( 4.713 6.404 10.706) 13.336 2.636 ( -3.826 -6.045 2.071) 7.447 2.636 ( 3.825 -6.045 2.071) 7.447 2.636 ( -3.825 6.045 2.071) 7.447 2.636 ( 3.826 6.045 2.071) 7.447 3.148 ( -4.980 -2.695 1.002) 5.751 3.148 ( 1.320 -1.225 1.002) 2.061 3.148 ( -1.320 1.225 1.002) 2.061 3.148 ( 4.980 2.695 1.002) 5.751 3.482 ( -7.719 -2.607 -2.478) 8.516 3.482 ( -7.636 2.545 -2.478) 8.422 3.482 ( 7.636 -2.545 -2.478) 8.422 3.482 ( 7.719 2.607 -2.478) 8.516 4.280 ( -2.815 -6.941 -0.931) 7.548 4.280 ( 1.150 -6.821 -0.931) 6.979 4.280 ( -1.150 6.821 -0.931) 6.979 4.280 ( 2.815 6.941 -0.931) 7.548 4.869 ( -3.720 -8.978 -13.460) 16.602 4.869 ( 2.636 -8.882 -13.460) 16.340 4.869 ( -2.636 8.882 -13.460) 16.340 4.869 ( 3.720 8.978 -13.460) 16.602 5.631 ( -3.468 -2.441 0.426) 4.263 5.631 ( -2.067 -2.006 0.426) 2.912 5.631 ( 2.067 2.006 0.426) 2.912 5.631 ( 3.468 2.441 0.426) 4.263 6.031 ( -2.136 -5.747 -1.878) 6.412 6.031 ( 1.815 -5.719 -1.878) 6.287 6.031 ( -1.815 5.719 -1.878) 6.287 6.031 ( 2.136 5.747 -1.878) 6.412 6.896 ( -1.410 -6.987 4.501) 8.430 6.896 ( 1.122 -6.974 4.501) 8.375 6.896 ( -1.122 6.974 4.501) 8.375 6.896 ( 1.410 6.987 4.501) 8.430 7.822 ( -9.490 -2.427 -2.773) 10.180 7.822 ( -8.296 -0.764 -2.773) 8.781 7.822 ( 8.296 0.764 -2.773) 8.781 7.822 ( 9.490 2.427 -2.773) 10.180 8.740 ( -6.542 -3.911 -6.583) 10.071 8.740 ( 5.969 -3.674 -6.583) 9.616 8.740 ( -5.969 3.674 -6.583) 9.616 8.740 ( 6.542 3.911 -6.583) 10.071 10.188 ( -3.709 -5.478 0.819) 6.666 10.188 ( 1.665 -5.222 0.819) 5.542 10.188 ( -1.665 5.222 0.819) 5.542 10.188 ( 3.709 5.478 0.819) 6.666 10.880 ( -5.491 -9.967 8.888) 14.439 10.880 ( 5.482 -9.965 8.888) 14.435 10.880 ( -5.482 9.965 8.888) 14.435 10.880 ( 5.491 9.967 8.888) 14.439 11.598 ( -2.009 -4.499 -1.965) 5.304 11.598 ( -1.656 -4.463 -1.965) 5.150 11.598 ( 1.656 4.463 -1.965) 5.150 11.598 ( 2.009 4.499 -1.965) 5.304 12.053 ( -1.222 -10.081 -7.076) 12.377 12.053 ( 1.070 -10.076 -7.076) 12.359 12.053 ( -1.070 10.076 -7.076) 12.359 12.053 ( 1.222 10.081 -7.076) 12.377 13.478 ( -4.562 -2.369 7.626) 9.197 13.478 ( -0.379 -0.669 7.626) 7.665 13.478 ( 0.379 0.669 7.626) 7.665 13.478 ( 4.562 2.369 7.626) 9.197 18.933 ( -4.023 -2.839 3.013) 5.773 18.933 ( 1.344 -2.113 3.013) 3.918 18.933 ( -1.344 2.113 3.013) 3.918 18.933 ( 4.023 2.839 3.013) 5.773 20.213 ( -0.142 -3.223 -7.935) 8.565 20.213 ( 0.140 -3.223 -7.935) 8.565 20.213 ( -0.140 3.223 -7.935) 8.565 20.213 ( 0.142 3.223 -7.935) 8.565 20.856 ( -0.297 -1.465 0.086) 1.498 20.856 ( 0.261 -1.464 0.086) 1.489 20.856 ( -0.261 1.464 0.086) 1.489 20.856 ( 0.297 1.465 0.086) 1.498 21.786 ( -2.095 -5.961 7.761) 10.008 21.786 ( 1.865 -5.942 7.761) 9.951 21.786 ( -1.865 5.942 7.761) 9.951 21.786 ( 2.095 5.961 7.761) 10.008 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 0.000 4.080) 4.080 1.441 ( 0.000 0.000 -3.364) 3.364 1.771 ( 0.000 0.000 15.921) 15.921 1.836 ( 0.000 0.000 16.687) 16.687 1.944 ( 0.000 0.000 6.543) 6.543 1.981 ( 0.000 0.000 -6.230) 6.230 2.020 ( 0.000 0.000 -6.591) 6.591 2.296 ( 0.000 0.000 -0.684) 0.684 2.340 ( 0.000 0.000 -10.773) 10.773 2.506 ( 0.000 0.000 2.706) 2.706 2.515 ( 0.000 0.000 -10.778) 10.778 2.603 ( 0.000 0.000 1.440) 1.440 2.644 ( 0.000 0.000 2.011) 2.011 2.664 ( 0.000 0.000 -7.084) 7.084 3.155 ( 0.000 0.000 -2.662) 2.662 3.475 ( 0.000 0.000 3.856) 3.856 3.519 ( 0.000 0.000 -13.669) 13.669 3.580 ( 0.000 0.000 3.194) 3.194 3.600 ( 0.000 0.000 13.222) 13.222 3.684 ( 0.000 0.000 1.460) 1.460 3.767 ( 0.000 0.000 7.886) 7.886 3.871 ( 0.000 0.000 9.946) 9.946 3.936 ( 0.000 0.000 -5.774) 5.774 4.496 ( 0.000 0.000 -11.104) 11.104 4.778 ( 0.000 0.000 7.909) 7.909 4.865 ( 0.000 0.000 -8.522) 8.522 4.992 ( 0.000 0.000 -12.815) 12.815 5.104 ( 0.000 0.000 -6.951) 6.951 5.398 ( 0.000 0.000 3.055) 3.055 5.530 ( 0.000 0.000 6.919) 6.919 5.689 ( 0.000 0.000 14.806) 14.806 5.714 ( 0.000 0.000 10.133) 10.133 6.019 ( 0.000 0.000 -2.108) 2.108 6.109 ( 0.000 0.000 -3.986) 3.986 6.268 ( 0.000 0.000 -2.681) 2.681 6.398 ( 0.000 0.000 -4.666) 4.666 6.429 ( 0.000 0.000 -6.308) 6.308 6.603 ( 0.000 0.000 -11.162) 11.162 7.346 ( 0.000 0.000 6.569) 6.569 7.417 ( 0.000 0.000 2.538) 2.538 7.843 ( 0.000 0.000 8.551) 8.551 8.090 ( 0.000 0.000 6.367) 6.367 8.091 ( 0.000 0.000 -6.679) 6.679 8.197 ( 0.000 0.000 3.342) 3.342 8.326 ( 0.000 0.000 -5.064) 5.064 8.435 ( 0.000 0.000 -3.139) 3.139 8.465 ( 0.000 0.000 -6.881) 6.881 8.578 ( 0.000 0.000 -14.610) 14.610 9.637 ( 0.000 0.000 -1.979) 1.979 9.672 ( 0.000 0.000 -2.236) 2.236 10.046 ( 0.000 0.000 1.769) 1.769 10.181 ( 0.000 0.000 -4.560) 4.560 10.534 ( 0.000 0.000 5.092) 5.092 10.684 ( 0.000 0.000 -2.879) 2.879 10.710 ( 0.000 0.000 -1.730) 1.730 10.822 ( 0.000 0.000 -8.707) 8.707 11.163 ( 0.000 0.000 10.461) 10.461 11.319 ( 0.000 0.000 1.045) 1.045 11.894 ( 0.000 0.000 12.796) 12.796 11.895 ( 0.000 0.000 11.037) 11.037 12.170 ( 0.000 0.000 -0.700) 0.700 12.181 ( 0.000 0.000 -1.874) 1.874 12.345 ( 0.000 0.000 -9.300) 9.300 12.371 ( 0.000 0.000 -8.837) 8.837 13.422 ( 0.000 0.000 4.940) 4.940 13.493 ( 0.000 0.000 1.177) 1.177 13.722 ( 0.000 0.000 9.764) 9.764 14.046 ( 0.000 0.000 -7.051) 7.051 18.838 ( 0.000 0.000 4.465) 4.465 18.971 ( 0.000 0.000 -0.938) 0.938 19.268 ( 0.000 0.000 5.935) 5.935 19.326 ( 0.000 0.000 4.094) 4.094 19.361 ( 0.000 0.000 4.412) 4.412 19.497 ( 0.000 0.000 -4.561) 4.561 19.540 ( 0.000 0.000 -4.668) 4.668 19.664 ( 0.000 0.000 -13.344) 13.344 20.930 ( 0.000 0.000 1.243) 1.243 20.950 ( 0.000 0.000 0.522) 0.522 21.012 ( 0.000 0.000 -0.349) 0.349 21.013 ( 0.000 0.000 -0.718) 0.718 21.719 ( 0.000 0.000 5.680) 5.680 21.775 ( 0.000 0.000 3.419) 3.419 22.216 ( 0.000 0.000 8.140) 8.140 22.508 ( 0.000 0.000 -7.445) 7.445 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 2.369 0.000 3.303) 4.065 1.417 ( -2.045 0.000 -1.987) 2.851 1.807 ( 2.757 0.000 10.140) 10.508 1.828 ( -1.638 0.000 9.646) 9.784 1.874 ( -4.278 0.000 -0.017) 4.278 1.951 ( -3.201 0.000 -3.622) 4.834 2.057 ( 4.830 0.000 -3.686) 6.076 2.260 ( 0.497 0.000 2.684) 2.730 2.377 ( -1.327 0.000 -6.829) 6.957 2.429 ( -2.012 0.000 9.010) 9.232 2.496 ( -1.844 0.000 0.842) 2.027 2.671 ( -1.325 0.000 -3.508) 3.750 2.716 ( 10.297 0.000 -11.910) 15.744 2.816 ( 9.112 0.000 -2.287) 9.394 3.213 ( 4.604 0.000 -4.353) 6.336 3.490 ( -4.688 0.000 -2.339) 5.240 3.497 ( 1.990 0.000 5.049) 5.428 3.518 ( -2.729 0.000 1.025) 2.915 3.579 ( -0.415 0.000 4.040) 4.061 3.672 ( -4.708 0.000 8.091) 9.361 3.736 ( 0.715 0.000 2.108) 2.226 3.796 ( -3.116 0.000 -2.845) 4.219 4.054 ( 6.277 0.000 5.577) 8.397 4.392 ( -8.007 0.000 -1.887) 8.226 4.837 ( 4.748 0.000 1.212) 4.900 4.880 ( 1.314 0.000 -9.449) 9.539 4.970 ( -1.802 0.000 -12.458) 12.588 5.067 ( -3.393 0.000 -6.180) 7.050 5.431 ( 3.167 0.000 3.704) 4.873 5.546 ( 0.478 0.000 4.276) 4.302 5.694 ( 0.395 0.000 13.875) 13.880 5.711 ( -0.220 0.000 10.584) 10.586 6.023 ( 0.511 0.000 -1.974) 2.039 6.087 ( -1.718 0.000 -3.279) 3.702 6.308 ( 3.308 0.000 -4.047) 5.227 6.411 ( 0.988 0.000 -5.091) 5.186 6.434 ( 0.245 0.000 -6.260) 6.264 6.534 ( -5.379 0.000 -9.185) 10.645 7.350 ( 0.374 0.000 5.926) 5.938 7.398 ( -1.464 0.000 3.206) 3.525 7.917 ( 5.748 0.000 7.129) 9.157 8.091 ( 0.227 0.000 6.081) 6.085 8.097 ( -0.148 0.000 -3.821) 3.824 8.152 ( -2.640 0.000 3.984) 4.779 8.391 ( 4.341 0.000 -6.685) 7.971 8.428 ( -0.535 0.000 -4.071) 4.106 8.453 ( -0.972 0.000 -6.972) 7.040 8.554 ( -2.110 0.000 -13.440) 13.604 9.640 ( 0.332 0.000 -1.595) 1.629 9.666 ( -0.474 0.000 -1.793) 1.854 10.085 ( 3.137 0.000 -0.198) 3.143 10.180 ( -0.226 0.000 -4.459) 4.465 10.556 ( 1.834 0.000 3.525) 3.974 10.662 ( -1.874 0.000 -2.052) 2.778 10.703 ( -0.248 0.000 -2.433) 2.445 10.788 ( -2.843 0.000 -7.924) 8.418 11.186 ( 1.998 0.000 9.098) 9.315 11.299 ( -1.774 0.000 2.191) 2.819 11.894 ( -0.002 0.000 12.559) 12.559 11.895 ( -0.013 0.000 11.335) 11.335 12.162 ( -0.585 0.000 -0.744) 0.946 12.166 ( -0.955 0.000 -1.403) 1.697 12.350 ( 0.378 0.000 -9.230) 9.238 12.368 ( -0.265 0.000 -8.904) 8.908 13.455 ( 2.813 0.000 5.140) 5.859 13.536 ( 2.549 0.000 1.082) 2.769 13.714 ( 0.388 0.000 8.356) 8.365 13.969 ( -6.351 0.000 -4.605) 7.844 18.880 ( 3.556 0.000 5.022) 6.153 19.008 ( 1.532 0.000 1.359) 2.048 19.276 ( 2.150 0.000 1.054) 2.395 19.331 ( 0.369 0.000 4.095) 4.111 19.355 ( -0.508 0.000 4.283) 4.313 19.505 ( 0.606 0.000 -4.494) 4.535 19.534 ( -0.463 0.000 -4.606) 4.630 19.588 ( -6.484 0.000 -12.252) 13.862 20.933 ( 0.225 0.000 1.169) 1.191 20.946 ( -0.264 0.000 0.660) 0.711 21.014 ( 0.150 0.000 -0.422) 0.448 21.015 ( 0.116 0.000 -0.687) 0.696 21.729 ( 0.776 0.000 5.407) 5.462 21.768 ( -0.612 0.000 3.862) 3.910 22.248 ( 2.900 0.000 6.196) 6.841 22.454 ( -4.427 0.000 -4.643) 6.415 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -3.174 0.000 0.884) 3.295 1.356 ( 3.174 0.000 0.884) 3.295 1.806 ( -1.085 0.000 -1.059) 1.516 1.806 ( 1.085 0.000 -1.059) 1.516 1.876 ( -3.280 0.000 1.103) 3.461 1.876 ( 3.280 0.000 1.103) 3.461 2.217 ( -8.732 0.000 1.316) 8.831 2.217 ( 8.732 0.000 1.316) 8.831 2.347 ( -5.291 0.000 11.067) 12.267 2.347 ( 5.291 0.000 11.067) 12.267 2.586 ( -5.510 0.000 -6.772) 8.730 2.586 ( 5.510 0.000 -6.772) 8.730 2.902 ( -3.839 0.000 -9.148) 9.921 2.902 ( 3.839 0.000 -9.148) 9.921 3.328 ( -6.880 0.000 2.521) 7.328 3.328 ( 6.880 0.000 2.521) 7.328 3.550 ( -2.196 0.000 5.441) 5.868 3.550 ( 2.196 0.000 5.441) 5.868 3.562 ( -4.854 0.000 -0.294) 4.863 3.562 ( 4.854 0.000 -0.294) 4.863 3.749 ( -0.987 0.000 -2.200) 2.412 3.749 ( 0.987 0.000 -2.200) 2.412 4.205 ( -7.729 0.000 6.894) 10.356 4.205 ( 7.729 0.000 6.894) 10.356 4.922 ( -2.261 0.000 -11.242) 11.467 4.922 ( 2.261 0.000 -11.242) 11.467 4.961 ( -5.689 0.000 -4.129) 7.029 4.961 ( 5.689 0.000 -4.129) 7.029 5.515 ( -3.319 0.000 3.105) 4.545 5.515 ( 3.319 0.000 3.105) 4.545 5.704 ( -0.419 0.000 11.982) 11.989 5.704 ( 0.419 0.000 11.982) 11.989 6.047 ( -1.590 0.000 -2.220) 2.731 6.047 ( 1.590 0.000 -2.220) 2.731 6.406 ( -5.392 0.000 -6.509) 8.452 6.406 ( 5.392 0.000 -6.509) 8.452 6.431 ( -0.594 0.000 -5.843) 5.873 6.431 ( 0.594 0.000 -5.843) 5.873 7.366 ( -1.134 0.000 4.694) 4.829 7.366 ( 1.134 0.000 4.694) 4.829 8.047 ( -4.691 0.000 2.790) 5.458 8.047 ( 4.691 0.000 2.790) 5.458 8.107 ( -1.302 0.000 5.271) 5.429 8.107 ( 1.302 0.000 5.271) 5.429 8.429 ( -0.838 0.000 -6.387) 6.441 8.429 ( 0.838 0.000 -6.387) 6.441 8.486 ( -3.849 0.000 -10.346) 11.038 8.486 ( 3.849 0.000 -10.346) 11.038 9.652 ( -0.686 0.000 -1.285) 1.457 9.652 ( 0.686 0.000 -1.285) 1.457 10.155 ( -2.373 0.000 -3.304) 4.068 10.155 ( 2.373 0.000 -3.304) 4.068 10.608 ( -2.637 0.000 0.371) 2.663 10.608 ( 2.637 0.000 0.371) 2.663 10.722 ( -2.281 0.000 -5.045) 5.536 10.722 ( 2.281 0.000 -5.045) 5.536 11.244 ( -2.880 0.000 5.482) 6.193 11.244 ( 2.880 0.000 5.482) 6.193 11.894 ( -0.004 0.000 11.978) 11.978 11.894 ( 0.004 0.000 11.978) 11.978 12.153 ( -0.051 0.000 -0.881) 0.883 12.153 ( 0.051 0.000 -0.881) 0.883 12.360 ( -0.451 0.000 -9.065) 9.076 12.360 ( 0.451 0.000 -9.065) 9.076 13.528 ( -2.986 0.000 4.595) 5.480 13.528 ( 2.986 0.000 4.595) 5.480 13.805 ( -7.188 0.000 0.952) 7.251 13.805 ( 7.188 0.000 0.952) 7.251 18.973 ( -3.991 0.000 5.491) 6.788 18.973 ( 3.991 0.000 5.491) 6.788 19.342 ( -0.598 0.000 4.135) 4.178 19.342 ( 0.598 0.000 4.135) 4.178 19.408 ( -8.523 0.000 -8.351) 11.933 19.408 ( 8.523 0.000 -8.351) 11.933 19.521 ( -0.733 0.000 -4.497) 4.556 19.521 ( 0.733 0.000 -4.497) 4.556 20.939 ( -0.339 0.000 0.945) 1.004 20.939 ( 0.339 0.000 0.945) 1.004 21.016 ( -0.031 0.000 -0.573) 0.574 21.016 ( 0.031 0.000 -0.573) 0.574 21.749 ( -0.965 0.000 4.715) 4.813 21.749 ( 0.965 0.000 4.715) 4.813 22.340 ( -5.077 0.000 1.194) 5.215 22.340 ( 5.077 0.000 1.194) 5.215 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 11.125 3.348) 11.618 1.534 ( 0.000 8.911 -3.462) 9.560 1.858 ( 0.000 2.313 15.767) 15.936 1.900 ( 0.000 9.295 14.208) 16.978 1.938 ( 0.000 1.969 7.888) 8.130 2.088 ( 0.000 9.245 -6.907) 11.540 2.103 ( 0.000 8.528 -6.219) 10.555 2.301 ( 0.000 1.259 -0.614) 1.400 2.403 ( 0.000 5.902 -5.165) 7.843 2.525 ( 0.000 1.027 -9.147) 9.205 2.547 ( 0.000 4.099 2.348) 4.724 2.631 ( 0.000 2.211 1.008) 2.429 2.670 ( 0.000 3.040 -0.101) 3.041 2.683 ( 0.000 2.694 -7.037) 7.535 3.172 ( 0.000 1.453 -0.792) 1.655 3.416 ( 0.000 -5.174 3.762) 6.397 3.498 ( 0.000 -5.402 6.442) 8.408 3.555 ( 0.000 2.310 -10.191) 10.450 3.660 ( 0.000 4.275 4.036) 5.879 3.703 ( 0.000 1.248 1.267) 1.779 3.790 ( 0.000 1.908 12.011) 12.161 3.865 ( 0.000 0.448 5.794) 5.811 3.928 ( 0.000 -0.692 -6.656) 6.692 4.459 ( 0.000 -3.453 -10.912) 11.445 4.667 ( 0.000 -8.841 4.477) 9.910 4.905 ( 0.000 1.408 -5.597) 5.771 4.971 ( 0.000 -2.205 -11.147) 11.363 5.089 ( 0.000 -1.865 -9.154) 9.342 5.418 ( 0.000 1.942 2.483) 3.152 5.530 ( 0.000 -0.060 5.426) 5.426 5.713 ( 0.000 2.197 12.298) 12.493 5.747 ( 0.000 3.186 8.398) 8.982 6.007 ( 0.000 -1.247 -1.992) 2.350 6.082 ( 0.000 -2.716 -3.374) 4.331 6.191 ( 0.000 -5.809 -0.397) 5.822 6.390 ( 0.000 -4.030 -6.179) 7.377 6.469 ( 0.000 5.458 -5.027) 7.420 6.613 ( 0.000 1.403 -8.489) 8.604 7.316 ( 0.000 -3.153 6.267) 7.015 7.387 ( 0.000 -3.228 2.363) 4.000 7.790 ( 0.000 -4.886 7.053) 8.580 7.901 ( 0.000 -10.854 -1.876) 11.015 8.123 ( 0.000 -0.004 5.942) 5.942 8.274 ( 0.000 3.265 -0.159) 3.269 8.373 ( 0.000 1.517 -10.108) 10.222 8.436 ( 0.000 0.189 -2.839) 2.845 8.513 ( 0.000 7.308 -5.306) 9.031 8.563 ( 0.000 -1.756 -11.398) 11.532 9.718 ( 0.000 4.721 0.132) 4.723 9.729 ( 0.000 9.013 -2.411) 9.330 10.086 ( 0.000 4.025 0.907) 4.126 10.204 ( 0.000 2.226 -4.013) 4.589 10.516 ( 0.000 -0.387 6.098) 6.111 10.730 ( 0.000 3.573 -3.777) 5.199 10.765 ( 0.000 6.998 -1.263) 7.111 10.935 ( 0.000 10.105 -9.271) 13.714 11.189 ( 0.000 2.886 9.732) 10.151 11.327 ( 0.000 0.923 1.383) 1.663 11.825 ( 0.000 -6.891 10.401) 12.477 11.849 ( 0.000 -4.632 12.621) 13.445 12.128 ( 0.000 -5.191 -2.901) 5.946 12.157 ( 0.000 -1.614 0.138) 1.620 12.334 ( 0.000 -1.504 -8.380) 8.514 12.339 ( 0.000 -3.413 -9.046) 9.668 13.425 ( 0.000 0.375 5.068) 5.081 13.492 ( 0.000 -0.086 1.508) 1.511 13.710 ( 0.000 -1.100 9.014) 9.081 13.990 ( 0.000 -5.378 -5.246) 7.513 18.826 ( 0.000 -0.940 4.032) 4.140 18.952 ( 0.000 -1.891 -1.469) 2.394 19.215 ( 0.000 -3.787 5.728) 6.867 19.303 ( 0.000 -3.859 3.074) 4.933 19.450 ( 0.000 11.051 2.309) 11.290 19.569 ( 0.000 7.202 -4.250) 8.362 19.650 ( 0.000 9.635 -3.998) 10.432 19.749 ( 0.000 7.645 -11.294) 13.638 20.924 ( 0.000 -0.650 1.232) 1.393 20.943 ( 0.000 -0.718 0.528) 0.891 20.995 ( 0.000 -1.708 -0.372) 1.749 20.998 ( 0.000 -1.584 -0.802) 1.776 21.728 ( 0.000 0.942 5.442) 5.523 21.774 ( 0.000 -0.060 3.599) 3.599 22.182 ( 0.000 -3.475 7.915) 8.644 22.444 ( 0.000 -6.436 -5.825) 8.681 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 2.017 10.556 2.709) 11.083 1.512 ( -1.849 8.833 -2.096) 9.264 1.817 ( -2.816 0.648 8.646) 9.116 1.852 ( -4.834 -1.186 1.333) 5.153 1.961 ( 2.956 12.299 8.997) 15.522 2.072 ( -2.396 10.379 -4.575) 11.592 2.126 ( 3.685 7.282 -3.330) 8.814 2.275 ( 0.506 1.980 3.377) 3.947 2.388 ( -1.269 2.807 3.621) 4.754 2.504 ( -5.678 4.441 4.129) 8.307 2.538 ( 2.122 5.550 -2.160) 6.323 2.679 ( -0.268 1.311 -3.581) 3.823 2.742 ( 10.045 2.529 -9.010) 13.729 2.837 ( 8.496 2.308 -2.998) 9.301 3.225 ( 4.341 0.820 -3.397) 5.573 3.399 ( -1.887 -6.250 7.306) 9.798 3.502 ( -0.117 -3.610 5.613) 6.675 3.519 ( -2.535 1.099 -6.794) 7.334 3.603 ( -2.649 2.801 3.744) 5.374 3.706 ( -4.960 2.010 5.913) 7.975 3.743 ( 1.695 1.895 -1.104) 2.772 3.822 ( -2.132 2.853 -3.146) 4.753 4.038 ( 6.264 -1.379 5.181) 8.245 4.367 ( -7.228 -2.342 -2.425) 7.976 4.719 ( 4.101 -8.354 -0.157) 9.308 4.903 ( -1.209 -1.960 -7.718) 8.055 4.956 ( -0.120 -0.567 -9.975) 9.992 5.060 ( -2.418 -1.531 -9.853) 10.260 5.448 ( 2.907 1.745 3.427) 4.821 5.552 ( 0.930 0.495 3.731) 3.876 5.711 ( -0.128 1.507 11.432) 11.532 5.735 ( -0.902 2.395 9.115) 9.468 6.004 ( 0.056 -1.885 -1.746) 2.570 6.061 ( -1.673 -2.546 -2.918) 4.218 6.233 ( 3.348 -5.400 -2.300) 6.758 6.379 ( -1.393 -4.914 -6.162) 8.004 6.486 ( 1.330 5.583 -5.179) 7.730 6.573 ( -2.796 3.504 -6.985) 8.299 7.317 ( 0.235 -3.384 5.694) 6.628 7.367 ( -1.552 -3.265 2.919) 4.646 7.858 ( 5.189 -5.222 5.625) 9.265 7.928 ( 1.972 -9.468 -0.776) 9.702 8.111 ( -0.821 -0.931 5.636) 5.771 8.216 ( -4.285 -0.099 1.747) 4.628 8.381 ( 0.821 1.945 -9.106) 9.348 8.460 ( -0.829 1.303 -3.835) 4.134 8.499 ( 1.475 4.555 -8.704) 9.934 8.572 ( 0.086 2.150 -8.964) 9.218 9.717 ( -0.017 5.626 -0.166) 5.629 9.725 ( -0.308 7.961 -1.035) 8.034 10.115 ( 2.206 2.909 -0.591) 3.698 10.194 ( -0.910 1.394 -3.461) 3.841 10.555 ( 3.255 1.097 4.388) 5.573 10.726 ( -2.316 3.652 0.760) 4.391 10.754 ( 1.160 8.067 -6.097) 10.178 10.896 ( -3.251 9.879 -8.650) 13.527 11.209 ( 1.743 2.550 8.443) 8.990 11.309 ( -1.596 1.169 2.356) 3.076 11.824 ( 0.031 -7.106 10.814) 12.940 11.846 ( -0.419 -4.976 11.970) 12.970 12.121 ( -0.199 -4.425 -1.600) 4.709 12.151 ( -0.699 -1.449 0.021) 1.609 12.331 ( -0.076 -2.482 -8.905) 9.245 12.338 ( -0.125 -2.881 -8.889) 9.346 13.458 ( 2.783 0.379 5.175) 5.888 13.534 ( 2.622 -0.172 1.317) 2.939 13.699 ( -0.056 -1.453 7.956) 8.087 13.922 ( -5.660 -4.563 -3.255) 7.966 18.870 ( 3.663 -0.848 4.540) 5.894 18.992 ( 2.108 -1.533 0.453) 2.646 19.193 ( -0.834 -5.127 3.226) 6.115 19.289 ( -1.470 -4.869 2.153) 5.523 19.466 ( 1.476 11.051 1.017) 11.195 19.564 ( -0.719 7.075 -4.452) 8.390 19.646 ( -0.253 9.744 -4.178) 10.605 19.702 ( -3.468 9.226 -9.337) 13.577 20.927 ( 0.224 -0.649 1.159) 1.347 20.940 ( -0.254 -0.706 0.664) 1.002 20.998 ( 0.167 -1.684 -0.457) 1.753 21.000 ( 0.107 -1.596 -0.758) 1.770 21.736 ( 0.669 0.817 5.239) 5.344 21.768 ( -0.473 0.117 3.982) 4.012 22.211 ( 2.622 -3.792 6.153) 7.689 22.395 ( -3.938 -5.843 -3.424) 7.834 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -2.731 9.590 0.729) 9.998 1.459 ( 2.731 9.590 0.729) 9.998 1.781 ( -0.770 -1.564 -0.675) 1.869 1.781 ( 0.770 -1.564 -0.675) 1.869 2.018 ( -2.328 12.564 -0.316) 12.782 2.018 ( 2.328 12.564 -0.316) 12.782 2.250 ( -6.444 3.188 3.706) 8.088 2.250 ( 6.444 3.188 3.706) 8.088 2.387 ( -5.063 4.364 10.174) 12.173 2.387 ( 5.063 4.364 10.174) 12.173 2.619 ( -4.119 3.538 -6.029) 8.114 2.619 ( 4.119 3.538 -6.029) 8.114 2.925 ( -3.511 2.276 -7.640) 8.711 2.925 ( 3.511 2.276 -7.640) 8.711 3.314 ( -4.657 -1.734 4.023) 6.394 3.314 ( 4.657 -1.734 4.023) 6.394 3.503 ( -1.487 -2.529 1.250) 3.189 3.503 ( 1.487 -2.529 1.250) 3.189 3.602 ( -3.673 1.634 2.767) 4.880 3.602 ( 3.673 1.634 2.767) 4.880 3.777 ( -1.685 3.239 -4.985) 6.180 3.777 ( 1.685 3.239 -4.985) 6.180 4.190 ( -7.664 -1.185 6.490) 10.112 4.190 ( 7.664 -1.185 6.490) 10.112 4.825 ( -4.858 -6.521 -5.084) 9.590 4.825 ( 4.858 -6.521 -5.084) 9.590 4.996 ( -2.890 -0.079 -10.809) 11.189 4.996 ( 2.890 -0.079 -10.809) 11.189 5.528 ( -3.198 1.399 3.290) 4.796 5.528 ( 3.198 1.399 3.290) 4.796 5.716 ( -0.666 1.042 10.141) 10.216 5.716 ( 0.666 1.042 10.141) 10.216 6.021 ( -1.540 -2.374 -2.135) 3.545 6.021 ( 1.540 -2.374 -2.135) 3.545 6.318 ( -3.770 -5.421 -4.894) 8.219 6.318 ( 3.770 -5.421 -4.894) 8.219 6.521 ( -1.815 5.603 -5.639) 8.154 6.521 ( 1.815 5.603 -5.639) 8.154 7.333 ( -1.233 -3.443 4.376) 5.703 7.333 ( 1.233 -3.443 4.376) 5.703 7.951 ( -1.341 -6.459 1.792) 6.836 7.951 ( 1.341 -6.459 1.792) 6.836 8.122 ( -2.891 -2.396 4.914) 6.184 8.122 ( 2.891 -2.396 4.914) 6.184 8.414 ( -2.102 1.706 -7.803) 8.259 8.414 ( 2.102 1.706 -7.803) 8.259 8.552 ( -1.955 4.018 -7.901) 9.077 8.552 ( 1.955 4.018 -7.901) 9.077 9.719 ( -0.193 6.748 -0.101) 6.751 9.719 ( 0.193 6.748 -0.101) 6.751 10.164 ( -1.849 1.103 -2.500) 3.299 10.164 ( 1.849 1.103 -2.500) 3.299 10.645 ( -4.324 3.562 1.617) 5.831 10.645 ( 4.324 3.562 1.617) 5.831 10.813 ( -3.639 9.061 -7.061) 12.049 10.813 ( 3.639 9.061 -7.061) 12.049 11.260 ( -2.567 1.768 5.243) 6.099 11.260 ( 2.567 1.768 5.243) 6.099 11.832 ( -0.670 -6.367 11.244) 12.939 11.832 ( 0.670 -6.367 11.244) 12.939 12.130 ( -0.898 -2.480 -0.227) 2.647 12.130 ( 0.898 -2.480 -0.227) 2.647 12.334 ( -0.243 -2.840 -9.049) 9.488 12.334 ( 0.243 -2.840 -9.049) 9.488 13.530 ( -2.872 0.227 4.562) 5.396 13.530 ( 2.872 0.227 4.562) 5.396 13.775 ( -6.438 -2.946 1.455) 7.228 13.775 ( 6.438 -2.946 1.455) 7.228 18.966 ( -4.057 -0.611 4.999) 6.467 18.966 ( 4.057 -0.611 4.999) 6.467 19.232 ( -3.390 -6.851 -0.367) 7.653 19.232 ( 3.390 -6.851 -0.367) 7.653 19.519 ( -3.015 9.302 -3.080) 10.252 19.519 ( 3.015 9.302 -3.080) 10.252 19.648 ( -0.834 10.353 -5.186) 11.609 19.648 ( 0.834 10.353 -5.186) 11.609 20.933 ( -0.324 -0.669 0.942) 1.200 20.933 ( 0.324 -0.669 0.942) 1.200 21.000 ( -0.050 -1.635 -0.626) 1.752 21.000 ( 0.050 -1.635 -0.626) 1.752 21.753 ( -0.796 0.492 4.699) 4.792 21.753 ( 0.796 0.492 4.699) 4.792 22.294 ( -4.567 -4.680 1.676) 6.751 22.294 ( 4.567 -4.680 1.676) 6.751 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 12.654 1.625) 12.758 1.727 ( 0.000 10.091 -3.097) 10.556 1.920 ( 0.000 3.869 12.588) 13.169 1.933 ( 0.000 0.431 5.989) 6.004 2.109 ( 0.000 9.413 8.098) 12.417 2.232 ( 0.000 4.819 -6.601) 8.172 2.337 ( 0.000 13.537 1.649) 13.637 2.356 ( 0.000 4.766 0.341) 4.779 2.529 ( 0.000 4.946 7.995) 9.401 2.538 ( 0.000 -0.319 -3.772) 3.786 2.662 ( 0.000 7.716 -4.471) 8.918 2.679 ( 0.000 3.521 -1.846) 3.975 2.778 ( 0.000 6.750 -5.766) 8.877 2.791 ( 0.000 11.186 0.048) 11.186 3.170 ( 0.000 -3.206 5.878) 6.695 3.329 ( 0.000 -2.695 0.537) 2.748 3.389 ( 0.000 -5.848 7.671) 9.646 3.581 ( 0.000 -0.253 -5.160) 5.166 3.673 ( 0.000 -2.848 5.884) 6.537 3.712 ( 0.000 -0.607 -0.174) 0.632 3.910 ( 0.000 8.015 -12.260) 14.647 3.917 ( 0.000 -0.314 -7.989) 7.996 3.931 ( 0.000 9.763 16.130) 18.855 4.394 ( 0.000 -2.377 -9.879) 10.161 4.477 ( 0.000 -10.728 -0.217) 10.730 4.897 ( 0.000 -6.266 -11.795) 13.356 4.903 ( 0.000 -1.111 -3.838) 3.996 5.032 ( 0.000 -3.750 -10.184) 10.853 5.456 ( 0.000 1.559 0.653) 1.690 5.520 ( 0.000 -1.241 2.177) 2.506 5.754 ( 0.000 1.620 6.256) 6.462 5.812 ( 0.000 2.876 3.501) 4.531 5.979 ( 0.000 -1.339 -0.359) 1.387 6.010 ( 0.000 -4.618 0.135) 4.620 6.097 ( 0.000 -3.155 2.337) 3.926 6.288 ( 0.000 -6.215 -4.680) 7.780 6.585 ( 0.000 6.826 -4.079) 7.952 6.669 ( 0.000 4.482 -3.960) 5.980 7.230 ( 0.000 -5.785 5.386) 7.904 7.293 ( 0.000 -6.684 1.897) 6.948 7.687 ( 0.000 -5.326 4.990) 7.298 7.720 ( 0.000 -7.879 -0.162) 7.881 8.116 ( 0.000 -0.627 1.821) 1.926 8.305 ( 0.000 -5.330 -11.986) 13.118 8.316 ( 0.000 1.836 1.558) 2.408 8.500 ( 0.000 -1.700 -2.750) 3.233 8.553 ( 0.000 5.640 -5.719) 8.032 8.652 ( 0.000 6.337 -7.547) 9.854 9.842 ( 0.000 7.971 3.822) 8.840 9.934 ( 0.000 11.075 -2.418) 11.336 10.180 ( 0.000 5.257 -0.058) 5.258 10.250 ( 0.000 2.246 -3.020) 3.764 10.558 ( 0.000 5.142 8.866) 10.250 10.822 ( 0.000 6.323 1.493) 6.496 10.959 ( 0.000 12.714 -6.549) 14.302 11.147 ( 0.000 10.834 -8.742) 13.921 11.285 ( 0.000 7.523 5.950) 9.592 11.346 ( 0.000 0.122 3.641) 3.643 11.662 ( 0.000 -8.892 8.154) 12.065 11.728 ( 0.000 -7.686 11.337) 13.697 11.996 ( 0.000 -8.491 -4.188) 9.467 12.102 ( 0.000 -4.014 1.067) 4.153 12.240 ( 0.000 -6.970 -9.280) 11.606 12.276 ( 0.000 -4.749 -7.019) 8.475 13.436 ( 0.000 0.687 5.269) 5.314 13.489 ( 0.000 -0.286 2.398) 2.415 13.688 ( 0.000 -1.020 7.179) 7.251 13.871 ( 0.000 -6.473 -1.767) 6.710 18.810 ( 0.000 -0.597 3.009) 3.068 18.906 ( 0.000 -2.764 -1.627) 3.208 19.158 ( 0.000 -2.037 5.792) 6.140 19.230 ( 0.000 -3.557 2.781) 4.515 19.712 ( 0.000 15.166 -1.089) 15.205 19.749 ( 0.000 11.042 -3.772) 11.669 19.854 ( 0.000 11.111 -4.010) 11.813 19.913 ( 0.000 8.814 -9.214) 12.751 20.903 ( 0.000 -1.620 1.153) 1.988 20.920 ( 0.000 -1.827 0.527) 1.901 20.949 ( 0.000 -3.029 -0.355) 3.049 20.955 ( 0.000 -2.774 -0.983) 2.943 21.757 ( 0.000 2.238 4.789) 5.286 21.777 ( 0.000 0.535 4.089) 4.124 22.093 ( 0.000 -5.578 7.355) 9.231 22.285 ( 0.000 -9.587 -2.350) 9.871 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.551 10.999 1.141) 11.071 1.685 ( -2.521 7.728 -1.663) 8.298 1.835 ( -5.810 0.057 1.028) 5.900 1.855 ( -5.214 2.761 3.541) 6.881 2.173 ( 4.075 8.755 7.601) 12.289 2.242 ( 1.513 7.673 -2.082) 8.093 2.321 ( -0.266 9.448 -0.793) 9.485 2.379 ( 0.679 10.112 6.477) 12.028 2.478 ( -1.396 5.542 8.270) 10.053 2.592 ( -1.112 4.585 3.420) 5.827 2.666 ( 1.406 6.375 -3.870) 7.589 2.718 ( 1.084 2.513 -0.635) 2.810 2.832 ( 7.285 7.768 -5.227) 11.863 2.913 ( 7.196 6.240 -3.039) 9.998 3.216 ( 3.417 -2.859 2.532) 5.125 3.296 ( -0.603 -2.856 5.216) 5.977 3.412 ( 0.739 -5.730 5.308) 7.846 3.532 ( -4.482 0.384 -3.724) 5.839 3.620 ( -3.132 -1.902 7.179) 8.060 3.686 ( -2.681 -2.335 0.077) 3.556 3.868 ( -0.702 7.558 -12.274) 14.432 3.902 ( -1.251 5.396 -8.302) 9.980 4.040 ( 6.295 4.012 9.332) 11.950 4.328 ( -5.053 -1.172 -2.747) 5.870 4.548 ( 5.451 -9.055 -2.929) 10.967 4.832 ( -4.802 -5.331 -8.171) 10.874 4.915 ( 0.517 -3.893 -8.280) 9.164 4.999 ( -2.511 -4.433 -11.119) 12.231 5.486 ( 2.817 1.779 1.699) 3.740 5.557 ( 2.417 -0.240 1.819) 3.034 5.733 ( -1.661 0.220 5.616) 5.860 5.784 ( -2.382 1.950 4.376) 5.350 5.969 ( -0.253 -1.210 1.150) 1.688 6.004 ( -0.803 -2.693 -1.027) 2.992 6.135 ( 3.090 -4.529 0.011) 5.483 6.269 ( -1.752 -6.230 -4.301) 7.771 6.603 ( 1.491 6.902 -3.917) 8.075 6.660 ( -0.661 5.707 -3.712) 6.840 7.227 ( -0.011 -5.939 4.910) 7.706 7.274 ( -1.458 -6.406 2.289) 6.958 7.751 ( 4.982 -5.565 3.566) 8.276 7.769 ( 3.932 -6.895 0.402) 7.947 8.071 ( -3.557 -2.985 1.970) 5.044 8.152 ( -7.275 -4.975 -1.583) 8.954 8.435 ( 4.016 2.338 -7.366) 8.709 8.497 ( -0.222 1.480 -3.719) 4.008 8.567 ( 1.366 3.920 -5.325) 6.751 8.645 ( -0.826 4.359 -7.459) 8.679 9.856 ( 1.195 8.721 3.443) 9.452 9.922 ( -1.066 11.437 -0.498) 11.498 10.181 ( 0.240 3.597 -0.733) 3.679 10.230 ( -1.468 2.246 -2.192) 3.465 10.619 ( 4.786 5.615 6.664) 9.942 10.808 ( -1.735 5.519 3.165) 6.594 10.974 ( 1.692 13.849 -8.701) 16.443 11.114 ( -2.747 12.109 -9.457) 15.608 11.286 ( 0.427 5.148 6.181) 8.056 11.342 ( -0.728 2.119 3.455) 4.118 11.647 ( -0.345 -10.687 9.689) 14.429 11.718 ( -1.505 -7.800 9.419) 12.322 12.009 ( 1.544 -7.142 -1.794) 7.524 12.102 ( -0.667 -3.642 1.088) 3.859 12.238 ( 0.007 -6.898 -9.616) 11.834 12.266 ( -0.760 -5.334 -7.427) 9.175 13.469 ( 2.749 0.714 5.200) 5.925 13.530 ( 2.908 -0.349 2.020) 3.558 13.668 ( -1.164 -1.514 6.841) 7.102 13.819 ( -4.291 -5.615 -0.602) 7.092 18.855 ( 3.802 -0.538 3.485) 5.185 18.953 ( 3.451 -2.471 -0.754) 4.311 19.117 ( -3.039 -2.719 4.667) 6.197 19.200 ( -2.726 -4.188 1.763) 5.299 19.720 ( 0.631 14.557 -1.693) 14.669 19.748 ( -0.169 11.374 -3.665) 11.951 19.852 ( -0.153 11.085 -4.314) 11.896 19.889 ( -1.775 9.738 -7.986) 12.718 20.906 ( 0.216 -1.622 1.092) 1.967 20.917 ( -0.207 -1.781 0.662) 1.911 20.952 ( 0.224 -2.980 -0.480) 3.026 20.957 ( 0.068 -2.808 -0.906) 2.952 21.762 ( 0.391 2.009 4.787) 5.206 21.776 ( -0.070 0.923 4.303) 4.402 22.114 ( 1.919 -6.104 6.023) 8.787 22.250 ( -2.876 -8.871 -0.783) 9.358 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -1.220 8.222 0.305) 8.318 1.647 ( 1.220 8.222 0.305) 8.318 1.766 ( -1.084 0.343 -2.405) 2.660 1.766 ( 1.084 0.343 -2.405) 2.660 2.249 ( -2.014 9.771 -0.393) 9.984 2.249 ( 2.014 9.771 -0.393) 9.984 2.345 ( -2.933 7.376 8.283) 11.472 2.345 ( 2.933 7.376 8.283) 11.472 2.518 ( -4.639 8.867 9.193) 13.588 2.518 ( 4.639 8.867 9.193) 13.588 2.704 ( -1.686 4.295 -4.576) 6.498 2.704 ( 1.686 4.295 -4.576) 6.498 2.986 ( -3.540 4.487 -3.028) 6.468 2.986 ( 3.540 4.487 -3.028) 6.468 3.279 ( -3.737 -0.956 4.366) 5.826 3.279 ( 3.737 -0.956 4.366) 5.826 3.442 ( -2.302 -4.163 1.574) 5.011 3.442 ( 2.302 -4.163 1.574) 5.011 3.606 ( -2.802 -1.575 3.125) 4.483 3.606 ( 2.802 -1.575 3.125) 4.483 3.873 ( -0.963 5.973 -13.731) 15.005 3.873 ( 0.963 5.973 -13.731) 15.005 4.190 ( -6.822 2.411 6.481) 9.714 4.190 ( 6.822 2.411 6.481) 9.714 4.694 ( -7.029 -7.235 -5.338) 11.413 4.694 ( 7.029 -7.235 -5.338) 11.413 4.943 ( -2.101 -5.006 -11.285) 12.523 4.943 ( 2.101 -5.006 -11.285) 12.523 5.562 ( -2.792 1.903 2.255) 4.062 5.562 ( 2.792 1.903 2.255) 4.062 5.726 ( -1.931 -0.658 4.842) 5.254 5.726 ( 1.931 -0.658 4.842) 5.254 5.980 ( -1.083 -1.228 0.154) 1.645 5.980 ( 1.083 -1.228 0.154) 1.645 6.211 ( -3.266 -5.681 -2.906) 7.168 6.211 ( 3.266 -5.681 -2.906) 7.168 6.638 ( -1.377 6.871 -3.655) 7.903 6.638 ( 1.377 6.871 -3.655) 7.903 7.240 ( -1.259 -6.139 3.576) 7.215 7.240 ( 1.259 -6.139 3.576) 7.215 7.839 ( -0.378 -4.835 0.836) 4.921 7.839 ( 0.378 -4.835 0.836) 4.921 8.023 ( -2.096 -6.741 2.086) 7.361 8.023 ( 2.096 -6.741 2.086) 7.361 8.486 ( -0.983 4.678 -5.975) 7.652 8.486 ( 0.983 4.678 -5.975) 7.652 8.611 ( -2.115 2.147 -6.562) 7.221 8.611 ( 2.115 2.147 -6.562) 7.221 9.890 ( -1.674 10.529 2.216) 10.889 9.890 ( 1.674 10.529 2.216) 10.889 10.198 ( -1.233 2.264 -1.579) 3.024 10.198 ( 1.233 2.264 -1.579) 3.024 10.733 ( -4.723 5.653 4.367) 8.563 10.733 ( 4.723 5.653 4.367) 8.563 11.038 ( -3.655 13.814 -9.922) 17.396 11.038 ( 3.655 13.814 -9.922) 17.396 11.311 ( -1.657 3.217 4.941) 6.124 11.311 ( 1.657 3.217 4.941) 6.124 11.669 ( -2.169 -9.972 9.337) 13.832 11.669 ( 2.169 -9.972 9.337) 13.832 12.061 ( -2.651 -4.613 0.489) 5.343 12.061 ( 2.651 -4.613 0.489) 5.343 12.248 ( -0.766 -6.246 -8.695) 10.733 12.248 ( 0.766 -6.246 -8.695) 10.733 13.538 ( -2.643 0.644 4.452) 5.218 13.538 ( 2.643 0.644 4.452) 5.218 13.706 ( -4.860 -3.861 2.471) 6.681 13.706 ( 4.860 -3.861 2.471) 6.681 18.957 ( -4.191 -0.266 4.086) 5.859 18.957 ( 4.191 -0.266 4.086) 5.859 19.117 ( -3.875 -5.201 0.067) 6.487 19.117 ( 3.875 -5.201 0.067) 6.487 19.737 ( -0.793 12.829 -3.023) 13.204 19.737 ( 0.793 12.829 -3.023) 13.204 19.856 ( -0.797 10.890 -5.558) 12.253 19.856 ( 0.797 10.890 -5.558) 12.253 20.912 ( -0.271 -1.676 0.909) 1.925 20.912 ( 0.271 -1.676 0.909) 1.925 20.956 ( -0.114 -2.890 -0.712) 2.979 20.956 ( 0.114 -2.890 -0.712) 2.979 21.772 ( -0.368 1.540 4.658) 4.920 21.772 ( 0.368 1.540 4.658) 4.920 22.175 ( -3.398 -7.389 2.727) 8.578 22.175 ( 3.398 -7.389 2.727) 8.578 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 7.387 0.322) 7.394 1.887 ( 0.000 6.497 -2.089) 6.824 1.935 ( 0.000 -0.394 1.984) 2.023 1.980 ( 0.000 1.724 5.424) 5.691 2.287 ( 0.000 9.139 8.533) 12.503 2.312 ( 0.000 4.738 -0.175) 4.741 2.445 ( 0.000 3.068 2.159) 3.751 2.500 ( 0.000 -3.272 1.515) 3.606 2.533 ( 0.000 6.413 3.559) 7.334 2.590 ( 0.000 2.295 9.907) 10.170 2.756 ( 0.000 3.429 -1.650) 3.806 2.770 ( 0.000 3.281 -6.962) 7.696 2.924 ( 0.000 8.326 -4.947) 9.685 3.054 ( 0.000 10.713 9.129) 14.075 3.086 ( 0.000 -2.043 3.533) 4.082 3.274 ( 0.000 -6.621 8.619) 10.869 3.311 ( 0.000 1.585 2.680) 3.114 3.523 ( 0.000 -4.233 3.090) 5.241 3.635 ( 0.000 -1.664 0.503) 1.739 3.669 ( 0.000 -3.779 -5.594) 6.751 3.926 ( 0.000 1.630 -7.242) 7.424 4.056 ( 0.000 5.667 -12.482) 13.708 4.167 ( 0.000 10.989 14.100) 17.876 4.313 ( 0.000 -2.018 -16.596) 16.718 4.389 ( 0.000 1.345 -8.050) 8.161 4.715 ( 0.000 -12.700 -14.253) 19.090 4.883 ( 0.000 -0.600 -2.670) 2.737 4.961 ( 0.000 -3.751 -7.991) 8.827 5.465 ( 0.000 -0.485 -0.780) 0.919 5.482 ( 0.000 -2.319 -0.065) 2.320 5.767 ( 0.000 0.135 0.595) 0.611 5.827 ( 0.000 -1.566 -1.748) 2.346 5.943 ( 0.000 -1.327 2.580) 2.901 5.966 ( 0.000 -0.306 1.398) 1.431 6.079 ( 0.000 0.740 4.517) 4.577 6.176 ( 0.000 -5.006 -1.108) 5.127 6.731 ( 0.000 8.470 -1.922) 8.686 6.776 ( 0.000 6.458 -0.508) 6.478 7.104 ( 0.000 -7.204 3.945) 8.213 7.140 ( 0.000 -9.020 1.126) 9.090 7.604 ( 0.000 -3.167 3.674) 4.850 7.609 ( 0.000 -3.752 1.324) 3.978 8.109 ( 0.000 0.149 -3.232) 3.235 8.206 ( 0.000 -4.842 -10.485) 11.549 8.353 ( 0.000 2.072 2.580) 3.309 8.445 ( 0.000 -2.911 -0.219) 2.919 8.671 ( 0.000 5.342 -5.991) 8.026 8.736 ( 0.000 2.333 -8.170) 8.497 9.998 ( 0.000 7.693 4.300) 8.813 10.095 ( 0.000 4.804 -0.607) 4.842 10.264 ( 0.000 3.183 -0.141) 3.186 10.284 ( 0.000 1.331 -2.012) 2.413 10.713 ( 0.000 11.116 11.803) 16.214 10.977 ( 0.000 10.030 5.763) 11.568 11.199 ( 0.000 2.932 1.291) 3.204 11.268 ( 0.000 -0.011 0.197) 0.198 11.301 ( 0.000 3.080 -1.448) 3.404 11.432 ( 0.000 5.220 3.342) 6.198 11.575 ( 0.000 -0.295 1.158) 1.195 11.616 ( 0.000 -1.135 -0.460) 1.225 11.824 ( 0.000 -7.952 -4.083) 8.939 12.022 ( 0.000 -3.740 -0.706) 3.806 12.078 ( 0.000 -9.621 -7.392) 12.133 12.159 ( 0.000 -7.188 -4.987) 8.749 13.451 ( 0.000 0.859 5.187) 5.257 13.480 ( 0.000 -0.587 3.565) 3.613 13.679 ( 0.000 0.252 5.043) 5.049 13.764 ( 0.000 -4.524 1.041) 4.642 18.807 ( 0.000 0.242 1.806) 1.822 18.856 ( 0.000 -2.327 -0.712) 2.433 19.136 ( 0.000 -0.384 5.132) 5.146 19.173 ( 0.000 -2.324 3.381) 4.102 19.954 ( 0.000 9.609 -4.145) 10.465 19.975 ( 0.000 11.205 -3.906) 11.866 20.042 ( 0.000 7.756 -4.167) 8.804 20.056 ( 0.000 5.504 -7.070) 8.960 20.867 ( 0.000 -1.896 0.778) 2.050 20.877 ( 0.000 -2.298 0.435) 2.338 20.890 ( 0.000 -2.830 -0.092) 2.832 20.899 ( 0.000 -2.961 -0.877) 3.088 21.799 ( 0.000 1.935 4.692) 5.075 21.814 ( 0.000 3.552 3.852) 5.240 21.986 ( 0.000 -5.040 6.647) 8.342 22.103 ( 0.000 -9.038 0.907) 9.084 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -2.182 4.600 -0.710) 5.140 1.792 ( -5.165 4.300 -0.848) 6.774 1.840 ( -6.058 0.603 -0.948) 6.161 1.897 ( -6.058 0.522 -1.006) 6.163 2.330 ( 3.041 8.378 7.723) 11.793 2.392 ( 5.541 8.013 4.962) 10.933 2.473 ( 0.976 6.041 3.652) 7.126 2.534 ( -1.327 5.031 7.802) 9.378 2.579 ( 2.729 3.421 5.821) 7.283 2.623 ( 4.967 -0.159 2.390) 5.515 2.745 ( -1.528 2.332 2.357) 3.651 2.769 ( -0.717 1.369 -4.888) 5.127 2.964 ( 5.752 5.036 -0.950) 7.704 3.102 ( 2.493 9.315 -0.494) 9.655 3.166 ( 5.595 0.981 9.241) 10.848 3.289 ( 1.472 -1.708 6.246) 6.640 3.292 ( -0.098 -2.975 2.061) 3.621 3.524 ( -0.431 -3.867 2.823) 4.807 3.547 ( -7.018 -1.954 1.425) 7.423 3.637 ( -3.261 -3.196 -2.641) 5.275 3.937 ( 1.149 2.520 -11.859) 12.178 4.039 ( -1.762 8.277 -15.022) 17.242 4.213 ( 3.366 8.800 9.152) 13.135 4.280 ( -1.136 -4.402 -9.436) 10.474 4.456 ( 4.661 1.936 -8.450) 9.843 4.682 ( -2.971 -10.173 -11.986) 15.999 4.841 ( -2.764 -3.098 -4.413) 6.059 4.910 ( -3.987 -4.870 -8.666) 10.711 5.504 ( 3.398 0.180 -0.221) 3.410 5.537 ( 4.252 -1.694 0.024) 4.577 5.723 ( -3.450 -0.424 0.984) 3.612 5.783 ( -3.774 -2.017 -0.693) 4.335 5.959 ( 1.209 0.389 2.465) 2.773 5.990 ( 1.307 0.316 1.235) 1.826 6.075 ( 0.240 -1.425 2.765) 3.120 6.158 ( -1.590 -5.045 -1.027) 5.389 6.749 ( 1.488 8.383 -1.662) 8.674 6.785 ( 0.510 7.231 -0.852) 7.299 7.097 ( -0.259 -7.492 3.502) 8.275 7.130 ( -0.934 -8.547 1.484) 8.725 7.664 ( 5.129 -3.114 1.803) 6.266 7.672 ( 5.226 -3.390 2.126) 6.582 8.017 ( -6.775 -2.123 -1.304) 7.219 8.060 ( -8.853 -4.221 -3.353) 10.365 8.469 ( 6.228 1.412 -3.230) 7.157 8.502 ( 4.011 -0.393 -3.297) 5.208 8.652 ( -1.588 4.169 -5.173) 6.831 8.705 ( -2.661 1.724 -7.892) 8.505 10.023 ( 2.200 8.145 4.033) 9.351 10.109 ( 0.642 6.761 0.156) 6.793 10.235 ( -1.761 2.073 0.050) 2.721 10.269 ( -1.289 1.523 -1.190) 2.323 10.765 ( 4.075 9.877 10.057) 14.673 10.947 ( -2.619 9.360 6.542) 11.716 11.231 ( 2.815 1.151 2.545) 3.966 11.268 ( 0.094 2.519 -1.533) 2.950 11.294 ( -0.552 3.043 -1.714) 3.535 11.447 ( -1.490 7.596 -0.384) 7.750 11.482 ( -2.368 -3.425 3.808) 5.642 11.612 ( -2.435 -2.323 -1.894) 3.862 11.874 ( 4.007 -5.452 -1.259) 6.883 12.025 ( -0.638 -3.653 1.103) 3.869 12.077 ( 0.384 -9.674 -9.207) 13.361 12.138 ( -1.559 -7.639 -5.245) 9.397 13.485 ( 2.826 0.947 5.016) 5.834 13.520 ( 3.208 -0.703 3.216) 4.596 13.651 ( -2.271 -0.077 5.130) 5.611 13.726 ( -3.266 -4.050 1.612) 5.447 18.853 ( 3.926 0.317 2.252) 4.537 18.905 ( 4.080 -2.350 -0.309) 4.719 19.088 ( -3.962 -0.445 4.500) 6.013 19.134 ( -3.470 -2.735 2.512) 5.082 19.958 ( 0.312 9.728 -3.951) 10.504 19.973 ( -0.176 10.965 -3.758) 11.593 20.037 ( -0.354 7.446 -4.629) 8.775 20.046 ( -0.692 6.162 -6.505) 8.987 20.869 ( 0.208 -1.882 0.760) 2.040 20.877 ( -0.073 -2.133 0.540) 2.201 20.893 ( 0.239 -2.917 -0.250) 2.938 20.899 ( 0.020 -2.980 -0.776) 3.079 21.805 ( 0.490 2.481 4.744) 5.376 21.819 ( 0.257 3.659 4.035) 5.453 21.995 ( 0.907 -5.975 5.821) 8.391 22.080 ( -1.931 -8.575 1.707) 8.954 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -1.171 2.534 -1.201) 3.039 1.740 ( 1.171 2.534 -1.201) 3.039 1.787 ( -2.758 0.776 -3.335) 4.397 1.787 ( 2.758 0.776 -3.335) 4.397 2.411 ( -3.706 8.076 5.696) 10.555 2.411 ( 3.706 8.076 5.696) 10.555 2.501 ( -2.120 7.596 8.264) 11.423 2.501 ( 2.120 7.596 8.264) 11.423 2.653 ( -3.632 4.018 4.475) 7.026 2.653 ( 3.632 4.018 4.475) 7.026 2.737 ( -2.031 -0.848 0.628) 2.289 2.737 ( 2.031 -0.848 0.628) 2.289 3.099 ( -3.434 6.405 1.956) 7.526 3.099 ( 3.434 6.405 1.956) 7.526 3.283 ( -3.397 -1.011 6.610) 7.500 3.283 ( 3.397 -1.011 6.610) 7.500 3.371 ( -5.971 -0.612 -1.846) 6.280 3.371 ( 5.971 -0.612 -1.846) 6.280 3.545 ( -3.332 -4.560 2.513) 6.182 3.545 ( 3.332 -4.560 2.513) 6.182 3.982 ( -2.763 6.618 -16.640) 18.120 3.982 ( 2.763 6.618 -16.640) 18.120 4.268 ( -0.998 1.666 -0.260) 1.959 4.268 ( 0.998 1.666 -0.260) 1.959 4.579 ( -5.857 -2.090 -6.843) 9.247 4.579 ( 5.857 -2.090 -6.843) 9.247 4.827 ( -2.245 -7.045 -8.857) 11.538 4.827 ( 2.245 -7.045 -8.857) 11.538 5.593 ( -2.990 1.450 0.449) 3.353 5.593 ( 2.990 1.450 0.449) 3.353 5.684 ( -3.573 -3.221 0.317) 4.821 5.684 ( 3.573 -3.221 0.317) 4.821 5.988 ( -1.160 1.823 2.498) 3.302 5.988 ( 1.160 1.823 2.498) 3.302 6.110 ( -2.436 -4.726 -0.453) 5.336 6.110 ( 2.436 -4.726 -0.453) 5.336 6.782 ( -1.007 8.177 -1.286) 8.338 6.782 ( 1.007 8.177 -1.286) 8.338 7.105 ( -0.971 -8.001 2.452) 8.425 7.105 ( 0.971 -8.001 2.452) 8.425 7.781 ( -0.859 -1.061 0.319) 1.402 7.781 ( 0.859 -1.061 0.319) 1.402 7.896 ( -1.480 -6.188 0.682) 6.399 7.896 ( 1.480 -6.188 0.682) 6.399 8.567 ( -1.256 3.574 -5.544) 6.715 8.567 ( 1.256 3.574 -5.544) 6.715 8.633 ( -2.387 0.165 -5.528) 6.023 8.633 ( 2.387 0.165 -5.528) 6.023 10.084 ( -2.736 9.036 2.869) 9.867 10.084 ( 2.736 9.036 2.869) 9.867 10.233 ( -1.535 0.849 -0.770) 1.916 10.233 ( 1.535 0.849 -0.770) 1.916 10.866 ( -4.441 8.770 7.967) 12.654 10.866 ( 4.441 8.770 7.967) 12.654 11.275 ( -0.522 0.183 0.725) 0.912 11.275 ( 0.522 0.183 0.725) 0.912 11.330 ( -5.242 5.332 -1.545) 7.635 11.330 ( 5.242 5.332 -1.545) 7.635 11.536 ( -3.658 -1.253 0.410) 3.888 11.536 ( 3.658 -1.253 0.410) 3.888 11.969 ( -3.937 -4.190 0.130) 5.751 11.969 ( 3.937 -4.190 0.130) 5.751 12.103 ( -1.505 -8.578 -6.931) 11.131 12.103 ( 1.505 -8.578 -6.931) 11.131 13.556 ( -2.530 1.289 4.235) 5.099 13.556 ( 2.530 1.289 4.235) 5.099 13.638 ( -3.503 -3.169 3.324) 5.776 13.638 ( 3.503 -3.169 3.324) 5.776 18.960 ( -4.283 0.652 3.107) 5.331 18.960 ( 4.283 0.652 3.107) 5.331 19.035 ( -4.145 -3.469 1.041) 5.505 19.035 ( 4.145 -3.469 1.041) 5.505 19.967 ( -0.400 10.264 -3.670) 10.908 19.967 ( 0.400 10.264 -3.670) 10.908 20.034 ( -0.241 7.003 -5.526) 8.924 20.034 ( 0.241 7.003 -5.526) 8.924 20.874 ( -0.171 -1.932 0.684) 2.057 20.874 ( 0.171 -1.932 0.684) 2.057 20.898 ( -0.160 -2.987 -0.531) 3.038 20.898 ( 0.160 -2.987 -0.531) 3.038 21.817 ( -0.453 3.378 4.562) 5.694 21.817 ( 0.453 3.378 4.562) 5.694 22.030 ( -2.187 -7.494 3.695) 8.637 22.030 ( 2.187 -7.494 3.695) 8.637 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 -2.770 0.264) 2.782 1.907 ( 0.000 2.770 0.264) 2.782 1.972 ( 0.000 -2.458 -0.124) 2.461 1.972 ( 0.000 2.458 -0.124) 2.461 2.413 ( 0.000 -5.379 3.503) 6.419 2.413 ( 0.000 5.379 3.503) 6.419 2.430 ( 0.000 -4.856 6.127) 7.819 2.430 ( 0.000 4.856 6.127) 7.819 2.606 ( 0.000 -1.348 6.795) 6.927 2.606 ( 0.000 1.348 6.795) 6.927 2.787 ( 0.000 -0.423 -2.651) 2.685 2.787 ( 0.000 0.423 -2.651) 2.685 3.073 ( 0.000 -6.179 -5.097) 8.010 3.073 ( 0.000 6.179 -5.097) 8.010 3.135 ( 0.000 -6.911 10.795) 12.817 3.135 ( 0.000 6.911 10.795) 12.817 3.438 ( 0.000 -7.031 11.721) 13.668 3.438 ( 0.000 7.031 11.721) 13.668 3.609 ( 0.000 -0.799 -9.003) 9.039 3.609 ( 0.000 0.799 -9.003) 9.039 3.994 ( 0.000 -5.844 -6.546) 8.775 3.994 ( 0.000 5.844 -6.546) 8.775 4.376 ( 0.000 -5.776 -0.282) 5.783 4.376 ( 0.000 5.776 -0.282) 5.783 4.445 ( 0.000 -13.568 -19.656) 23.884 4.445 ( 0.000 13.568 -19.656) 23.884 4.897 ( 0.000 -2.373 -4.371) 4.974 4.897 ( 0.000 2.373 -4.371) 4.974 5.456 ( 0.000 -0.150 -0.758) 0.773 5.456 ( 0.000 0.150 -0.758) 0.773 5.784 ( 0.000 -1.956 -1.731) 2.612 5.784 ( 0.000 1.956 -1.731) 2.612 5.951 ( 0.000 -1.203 1.065) 1.607 5.951 ( 0.000 1.203 1.065) 1.607 6.108 ( 0.000 -2.320 3.257) 3.999 6.108 ( 0.000 2.320 3.257) 3.999 6.865 ( 0.000 -1.456 0.815) 1.668 6.865 ( 0.000 1.456 0.815) 1.668 7.003 ( 0.000 -0.843 1.208) 1.474 7.003 ( 0.000 0.843 1.208) 1.474 7.574 ( 0.000 -0.078 2.578) 2.580 7.574 ( 0.000 0.078 2.578) 2.580 8.133 ( 0.000 -2.594 -7.484) 7.921 8.133 ( 0.000 2.594 -7.484) 7.921 8.395 ( 0.000 -2.367 2.029) 3.117 8.395 ( 0.000 2.367 2.029) 3.117 8.740 ( 0.000 -1.802 -7.498) 7.711 8.740 ( 0.000 1.802 -7.498) 7.711 10.106 ( 0.000 -3.151 2.027) 3.747 10.106 ( 0.000 3.151 2.027) 3.747 10.296 ( 0.000 -0.318 -0.702) 0.770 10.296 ( 0.000 0.318 -0.702) 0.770 10.964 ( 0.000 -14.595 13.457) 19.853 10.964 ( 0.000 14.595 13.457) 19.853 11.189 ( 0.000 -10.939 7.463) 13.242 11.189 ( 0.000 10.939 7.463) 13.242 11.494 ( 0.000 -9.667 -12.728) 15.983 11.494 ( 0.000 9.667 -12.728) 15.983 11.547 ( 0.000 -2.084 2.909) 3.579 11.547 ( 0.000 2.084 2.909) 3.579 11.867 ( 0.000 -10.251 -7.628) 12.777 11.867 ( 0.000 10.251 -7.628) 12.777 12.036 ( 0.000 -4.380 -1.169) 4.533 12.036 ( 0.000 4.380 -1.169) 4.533 13.467 ( 0.000 -0.823 4.600) 4.673 13.467 ( 0.000 0.823 4.600) 4.673 13.701 ( 0.000 -2.166 3.074) 3.761 13.701 ( 0.000 2.166 3.074) 3.761 18.821 ( 0.000 -1.306 0.546) 1.415 18.821 ( 0.000 1.306 0.546) 1.415 19.142 ( 0.000 -0.993 4.223) 4.338 19.142 ( 0.000 0.993 4.223) 4.338 20.075 ( 0.000 -1.935 -5.901) 6.210 20.075 ( 0.000 1.935 -5.901) 6.210 20.114 ( 0.000 -0.687 -4.001) 4.059 20.114 ( 0.000 0.687 -4.001) 4.059 20.850 ( 0.000 -0.352 0.347) 0.494 20.850 ( 0.000 0.352 0.347) 0.494 20.861 ( 0.000 -0.334 -0.182) 0.380 20.861 ( 0.000 0.334 -0.182) 0.380 21.845 ( 0.000 -1.937 4.587) 4.980 21.845 ( 0.000 1.937 4.587) 4.980 21.964 ( 0.000 -4.594 3.857) 5.998 21.964 ( 0.000 4.594 3.857) 5.998 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -5.008 -0.848 -1.201) 5.220 1.823 ( -5.008 0.848 -1.201) 5.220 1.875 ( -6.085 -2.388 -1.901) 6.808 1.875 ( -6.085 2.388 -1.901) 6.808 2.469 ( 3.349 -4.676 8.846) 10.552 2.469 ( 3.349 4.676 8.846) 10.552 2.531 ( 5.177 -3.982 4.206) 7.768 2.531 ( 5.177 3.982 4.206) 7.768 2.624 ( 1.935 -1.870 6.420) 6.961 2.624 ( 1.935 1.870 6.420) 6.961 2.767 ( -1.927 -0.782 -0.794) 2.226 2.767 ( -1.927 0.782 -0.794) 2.226 3.074 ( 3.180 -6.788 0.506) 7.513 3.074 ( 3.180 6.788 0.506) 7.513 3.227 ( 4.721 -3.703 4.446) 7.468 3.227 ( 4.721 3.703 4.446) 7.468 3.399 ( -2.543 -8.095 9.433) 12.687 3.399 ( -2.543 8.095 9.433) 12.687 3.571 ( -3.884 -3.133 -5.431) 7.376 3.571 ( -3.884 3.133 -5.431) 7.376 4.032 ( 3.704 -7.246 -9.577) 12.568 4.032 ( 3.704 7.246 -9.577) 12.568 4.293 ( -5.578 -6.218 -9.830) 12.900 4.293 ( -5.578 6.218 -9.830) 12.900 4.526 ( 5.540 -4.629 -9.382) 11.837 4.526 ( 5.540 4.629 -9.382) 11.837 4.828 ( -5.680 -2.570 -4.807) 7.873 4.828 ( -5.680 2.570 -4.807) 7.873 5.509 ( 4.397 -0.847 -0.627) 4.521 5.509 ( 4.397 0.847 -0.627) 4.521 5.738 ( -3.865 -1.968 -1.114) 4.478 5.738 ( -3.865 1.968 -1.114) 4.478 5.979 ( 2.226 -1.275 1.073) 2.780 5.979 ( 2.226 1.275 1.073) 2.780 6.087 ( -1.777 -2.371 2.789) 4.069 6.087 ( -1.777 2.371 2.789) 4.069 6.890 ( 2.049 -2.090 0.850) 3.048 6.890 ( 2.049 2.090 0.850) 3.048 6.988 ( -1.356 -1.919 1.004) 2.555 6.988 ( -1.356 1.919 1.004) 2.555 7.638 ( 5.512 -0.271 2.025) 5.878 7.638 ( 5.512 0.271 2.025) 5.878 8.006 ( -8.761 -1.159 -3.160) 9.385 8.006 ( -8.761 1.159 -3.160) 9.385 8.490 ( 6.076 -0.854 -2.187) 6.514 8.490 ( 6.076 0.854 -2.187) 6.514 8.707 ( -2.878 -1.450 -6.969) 7.678 8.707 ( -2.878 1.450 -6.969) 7.678 10.137 ( 2.606 -3.216 1.809) 4.518 10.137 ( 2.606 3.216 1.809) 4.518 10.272 ( -2.117 -1.370 -0.051) 2.523 10.272 ( -2.117 1.370 -0.051) 2.523 10.995 ( 2.642 -13.820 12.538) 18.846 10.995 ( 2.642 13.820 12.538) 18.846 11.154 ( -2.925 -11.514 8.563) 14.644 11.154 ( -2.925 11.514 8.563) 14.644 11.494 ( 0.175 -8.226 -11.121) 13.834 11.494 ( 0.175 8.226 -11.121) 13.834 11.531 ( -1.170 -1.319 -1.377) 2.237 11.531 ( -1.170 1.319 -1.377) 2.237 11.899 ( 2.493 -7.679 -5.380) 9.701 11.899 ( 2.493 7.679 -5.380) 9.701 12.015 ( -1.794 -3.681 -1.421) 4.334 12.015 ( -1.794 3.681 -1.421) 4.334 13.503 ( 3.068 -0.979 4.391) 5.445 13.503 ( 3.068 0.979 4.391) 5.445 13.669 ( -2.784 -1.942 3.325) 4.752 13.669 ( -2.784 1.942 3.325) 4.752 18.869 ( 4.062 -1.401 0.943) 4.399 18.869 ( 4.062 1.401 0.943) 4.399 19.096 ( -3.912 -1.226 3.525) 5.407 19.096 ( -3.912 1.226 3.525) 5.407 20.078 ( 0.294 -1.766 -5.504) 5.788 20.078 ( 0.294 1.766 -5.504) 5.788 20.105 ( -0.679 -0.977 -4.181) 4.347 20.105 ( -0.679 0.977 -4.181) 4.347 20.853 ( 0.253 -0.338 0.276) 0.505 20.853 ( 0.253 0.338 0.276) 0.505 20.861 ( -0.025 -0.353 -0.099) 0.367 20.861 ( -0.025 0.353 -0.099) 0.367 21.862 ( 1.445 -2.368 4.515) 5.299 21.862 ( 1.445 2.368 4.515) 5.299 21.946 ( -1.525 -4.214 4.000) 6.007 21.946 ( -1.525 4.214 4.000) 6.007 ======================= Grid point 204 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -1.539 -1.492 -2.690) 3.439 1.777 ( 1.404 -1.458 -2.690) 3.366 1.777 ( -1.404 1.458 -2.690) 3.366 1.777 ( 1.539 1.492 -2.690) 3.439 2.541 ( -2.591 -4.365 8.461) 9.867 2.541 ( 2.576 -4.363 8.461) 9.862 2.541 ( -2.576 4.363 8.461) 9.862 2.541 ( 2.591 4.365 8.461) 9.867 2.704 ( -3.679 -2.729 2.510) 5.223 2.704 ( 3.479 -2.662 2.510) 5.049 2.704 ( -3.479 2.662 2.510) 5.049 2.704 ( 3.679 2.729 2.510) 5.223 3.204 ( -5.705 -4.905 4.483) 8.758 3.204 ( 1.253 -4.040 4.483) 6.163 3.204 ( -1.253 4.040 4.483) 6.163 3.204 ( 5.705 4.905 4.483) 8.758 3.445 ( -5.783 -5.476 0.210) 7.967 3.445 ( 2.735 -4.847 0.210) 5.570 3.445 ( -2.735 4.847 0.210) 5.570 3.445 ( 5.783 5.476 0.210) 7.967 4.153 ( -5.790 -10.280 -11.810) 16.693 4.153 ( 4.332 -10.099 -11.810) 16.131 4.153 ( -4.332 10.099 -11.810) 16.131 4.153 ( 5.790 10.280 -11.810) 16.693 4.674 ( -4.709 -8.212 -5.966) 11.190 4.674 ( -0.551 -7.872 -5.966) 9.893 4.674 ( 0.551 7.872 -5.966) 9.893 4.674 ( 4.709 8.212 -5.966) 11.190 5.627 ( -5.228 -2.144 -0.601) 5.683 5.627 ( -3.178 -0.535 -0.601) 3.278 5.627 ( 3.178 0.535 -0.601) 3.278 5.627 ( 5.228 2.144 -0.601) 5.683 6.036 ( -2.130 -3.054 1.793) 4.133 6.036 ( 0.741 -2.887 1.793) 3.478 6.036 ( -0.741 2.887 1.793) 3.478 6.036 ( 2.130 3.054 1.793) 4.133 6.944 ( -1.019 -8.659 0.854) 8.761 6.944 ( 0.376 -8.646 0.854) 8.696 6.944 ( -0.376 8.646 0.854) 8.696 6.944 ( 1.019 8.659 0.854) 8.761 7.803 ( -7.310 -2.147 0.205) 7.622 7.803 ( -6.843 -1.719 0.205) 7.059 7.803 ( 6.843 1.719 0.205) 7.059 7.803 ( 7.310 2.147 0.205) 7.622 8.618 ( -4.490 -1.344 -5.320) 7.090 8.618 ( -3.767 -0.560 -5.320) 6.542 8.618 ( 3.767 0.560 -5.320) 6.542 8.618 ( 4.490 1.344 -5.320) 7.090 10.208 ( -2.892 -3.716 1.090) 4.833 10.208 ( 1.257 -3.480 1.090) 3.857 10.208 ( -1.257 3.480 1.090) 3.857 10.208 ( 2.892 3.716 1.090) 4.833 11.073 ( -3.977 -12.543 10.607) 16.901 11.073 ( 3.971 -12.542 10.607) 16.899 11.073 ( -3.971 12.542 10.607) 16.899 11.073 ( 3.977 12.543 10.607) 16.901 11.506 ( -0.732 -5.711 -7.332) 9.322 11.506 ( 0.683 -5.710 -7.332) 9.318 11.506 ( -0.683 5.710 -7.332) 9.318 11.506 ( 0.732 5.711 -7.332) 9.322 11.962 ( -2.702 -4.519 -2.621) 5.881 11.962 ( 2.371 -4.472 -2.621) 5.700 11.962 ( -2.371 4.472 -2.621) 5.700 11.962 ( 2.702 4.519 -2.621) 5.881 13.588 ( -3.738 -1.965 3.879) 5.734 13.588 ( -1.488 -0.960 3.879) 4.264 13.588 ( 1.488 0.960 3.879) 4.264 13.588 ( 3.738 1.965 3.879) 5.734 18.984 ( -5.433 -1.762 2.084) 6.080 18.984 ( -4.157 0.209 2.084) 4.655 18.984 ( 4.157 -0.209 2.084) 4.655 18.984 ( 5.433 1.762 2.084) 6.080 20.089 ( -0.567 -1.834 -4.734) 5.109 20.089 ( 0.454 -1.826 -4.734) 5.094 20.089 ( -0.454 1.826 -4.734) 5.094 20.089 ( 0.567 1.834 -4.734) 5.109 20.859 ( -0.111 -0.717 0.094) 0.731 20.859 ( 0.072 -0.715 0.094) 0.725 20.859 ( -0.072 0.715 0.094) 0.725 20.859 ( 0.111 0.717 0.094) 0.731 21.903 ( -1.431 -5.653 4.293) 7.241 21.903 ( 0.916 -5.627 4.293) 7.136 21.903 ( -0.916 5.627 4.293) 7.136 21.903 ( 1.431 5.653 4.293) 7.241 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 0.000 -4.985) 4.985 1.349 ( 0.000 0.000 4.985) 4.985 1.929 ( 0.000 0.000 -1.120) 1.120 1.929 ( 0.000 0.000 1.120) 1.120 2.040 ( 0.000 0.000 -1.065) 1.065 2.040 ( 0.000 0.000 1.065) 1.065 2.087 ( 0.000 0.000 -15.099) 15.099 2.087 ( 0.000 0.000 15.099) 15.099 2.316 ( 0.000 0.000 -6.453) 6.453 2.316 ( 0.000 0.000 6.453) 6.453 2.568 ( 0.000 0.000 -3.552) 3.552 2.568 ( 0.000 0.000 3.552) 3.552 2.644 ( 0.000 0.000 -1.827) 1.827 2.644 ( 0.000 0.000 1.827) 1.827 3.240 ( 0.000 0.000 -11.838) 11.838 3.240 ( 0.000 0.000 11.838) 11.838 3.571 ( 0.000 0.000 -4.163) 4.163 3.571 ( 0.000 0.000 4.163) 4.163 3.691 ( 0.000 0.000 -0.224) 0.224 3.691 ( 0.000 0.000 0.224) 0.224 3.838 ( 0.000 0.000 -5.384) 5.384 3.838 ( 0.000 0.000 5.384) 5.384 4.225 ( 0.000 0.000 -17.076) 17.076 4.225 ( 0.000 0.000 17.076) 17.076 4.815 ( 0.000 0.000 -4.024) 4.024 4.815 ( 0.000 0.000 4.024) 4.024 4.949 ( 0.000 0.000 -8.629) 8.629 4.949 ( 0.000 0.000 8.629) 8.629 5.522 ( 0.000 0.000 -7.357) 7.357 5.522 ( 0.000 0.000 7.357) 7.357 5.898 ( 0.000 0.000 -6.246) 6.246 5.898 ( 0.000 0.000 6.246) 6.246 5.960 ( 0.000 0.000 -9.022) 9.022 5.960 ( 0.000 0.000 9.022) 9.022 6.360 ( 0.000 0.000 -11.762) 11.762 6.360 ( 0.000 0.000 11.762) 11.762 6.361 ( 0.000 0.000 -0.750) 0.750 6.361 ( 0.000 0.000 0.750) 0.750 7.429 ( 0.000 0.000 -1.748) 1.748 7.429 ( 0.000 0.000 1.748) 1.748 7.983 ( 0.000 0.000 -5.754) 5.754 7.983 ( 0.000 0.000 5.754) 5.754 8.205 ( 0.000 0.000 -6.490) 6.490 8.205 ( 0.000 0.000 6.490) 6.490 8.342 ( 0.000 0.000 -10.332) 10.332 8.342 ( 0.000 0.000 10.332) 10.332 8.393 ( 0.000 0.000 -0.105) 0.105 8.393 ( 0.000 0.000 0.105) 0.105 9.634 ( 0.000 0.000 -1.312) 1.312 9.634 ( 0.000 0.000 1.312) 1.312 10.101 ( 0.000 0.000 -3.702) 3.702 10.101 ( 0.000 0.000 3.702) 3.702 10.620 ( 0.000 0.000 -3.853) 3.853 10.620 ( 0.000 0.000 3.853) 3.853 10.715 ( 0.000 0.000 -2.667) 2.667 10.715 ( 0.000 0.000 2.667) 2.667 11.301 ( 0.000 0.000 -3.739) 3.739 11.301 ( 0.000 0.000 3.739) 3.739 12.064 ( 0.000 0.000 -1.619) 1.619 12.064 ( 0.000 0.000 1.619) 1.619 12.160 ( 0.000 0.000 -0.135) 0.135 12.160 ( 0.000 0.000 0.135) 0.135 12.216 ( 0.000 0.000 -2.316) 2.316 12.216 ( 0.000 0.000 2.316) 2.316 13.486 ( 0.000 0.000 -1.826) 1.826 13.486 ( 0.000 0.000 1.826) 1.826 13.898 ( 0.000 0.000 -8.504) 8.504 13.898 ( 0.000 0.000 8.504) 8.504 18.919 ( 0.000 0.000 -3.855) 3.855 18.919 ( 0.000 0.000 3.855) 3.855 19.410 ( 0.000 0.000 -4.527) 4.527 19.410 ( 0.000 0.000 4.527) 4.527 19.432 ( 0.000 0.000 -10.683) 10.683 19.432 ( 0.000 0.000 10.683) 10.683 19.449 ( 0.000 0.000 -4.721) 4.721 19.449 ( 0.000 0.000 4.721) 4.721 20.949 ( 0.000 0.000 -0.612) 0.612 20.949 ( 0.000 0.000 0.612) 0.612 21.006 ( 0.000 0.000 -0.061) 0.061 21.006 ( 0.000 0.000 0.061) 0.061 21.793 ( 0.000 0.000 -1.607) 1.607 21.793 ( 0.000 0.000 1.607) 1.607 22.364 ( 0.000 0.000 -7.551) 7.551 22.364 ( 0.000 0.000 7.551) 7.551 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.429 0.000 -3.571) 3.597 1.355 ( 0.429 0.000 3.571) 3.597 1.881 ( -8.685 0.000 -0.816) 8.724 1.881 ( -8.685 0.000 0.816) 8.724 1.890 ( -2.041 0.000 -1.943) 2.818 1.890 ( -2.041 0.000 1.943) 2.818 2.176 ( 6.225 0.000 -11.981) 13.502 2.176 ( 6.225 0.000 11.981) 13.502 2.447 ( 8.794 0.000 -14.191) 16.695 2.447 ( 8.794 0.000 14.191) 16.695 2.580 ( -5.086 0.000 -5.595) 7.561 2.580 ( -5.086 0.000 5.595) 7.561 2.665 ( 4.410 0.000 -12.445) 13.203 2.665 ( 4.410 0.000 12.445) 13.203 3.279 ( 3.907 0.000 -10.235) 10.955 3.279 ( 3.907 0.000 10.235) 10.955 3.593 ( 1.522 0.000 -3.106) 3.459 3.593 ( 1.522 0.000 3.106) 3.459 3.628 ( -4.125 0.000 -5.235) 6.665 3.628 ( -4.125 0.000 5.235) 6.665 3.787 ( -4.856 0.000 -2.727) 5.570 3.787 ( -4.856 0.000 2.727) 5.570 4.258 ( 2.525 0.000 -11.013) 11.299 4.258 ( 2.525 0.000 11.013) 11.299 4.808 ( -0.526 0.000 -2.896) 2.943 4.808 ( -0.526 0.000 2.896) 2.943 4.927 ( -1.618 0.000 -6.946) 7.132 4.927 ( -1.618 0.000 6.946) 7.132 5.552 ( 2.157 0.000 -5.704) 6.098 5.552 ( 2.157 0.000 5.704) 6.098 5.897 ( -0.067 0.000 -4.633) 4.633 5.897 ( -0.067 0.000 4.633) 4.633 5.956 ( -0.264 0.000 -6.598) 6.603 5.956 ( -0.264 0.000 6.598) 6.603 6.340 ( -1.517 0.000 -8.279) 8.417 6.340 ( -1.517 0.000 8.279) 8.417 6.367 ( 0.422 0.000 -0.580) 0.717 6.367 ( 0.422 0.000 0.580) 0.717 7.421 ( -0.519 0.000 -1.199) 1.307 7.421 ( -0.519 0.000 1.199) 1.307 8.029 ( 3.383 0.000 -4.203) 5.395 8.029 ( 3.383 0.000 4.203) 5.395 8.197 ( -0.553 0.000 -4.064) 4.101 8.197 ( -0.553 0.000 4.064) 4.101 8.348 ( 0.417 0.000 -6.762) 6.775 8.348 ( 0.417 0.000 6.762) 6.775 8.379 ( -1.157 0.000 -0.268) 1.188 8.379 ( -1.157 0.000 0.268) 1.188 9.638 ( 0.242 0.000 -0.989) 1.018 9.638 ( 0.242 0.000 0.989) 1.018 10.111 ( 0.774 0.000 -2.671) 2.781 10.111 ( 0.774 0.000 2.671) 2.781 10.616 ( -0.292 0.000 -2.749) 2.765 10.616 ( -0.292 0.000 2.749) 2.765 10.695 ( -1.473 0.000 -1.990) 2.476 10.695 ( -1.473 0.000 1.990) 2.476 11.302 ( 0.061 0.000 -2.707) 2.708 11.302 ( 0.061 0.000 2.707) 2.708 12.065 ( 0.075 0.000 -1.157) 1.160 12.065 ( 0.075 0.000 1.157) 1.160 12.151 ( -0.641 0.000 -0.035) 0.642 12.151 ( -0.641 0.000 0.035) 0.642 12.216 ( 0.004 0.000 -1.646) 1.646 12.216 ( 0.004 0.000 1.646) 1.646 13.525 ( 3.020 0.000 -2.168) 3.717 13.525 ( 3.020 0.000 2.168) 3.717 13.859 ( -2.971 0.000 -6.744) 7.369 13.859 ( -2.971 0.000 6.744) 7.369 18.971 ( 4.099 0.000 -4.134) 5.821 18.971 ( 4.099 0.000 4.134) 5.821 19.382 ( -4.003 0.000 -8.923) 9.780 19.382 ( -4.003 0.000 8.923) 9.780 19.410 ( 0.006 0.000 -3.213) 3.213 19.410 ( 0.006 0.000 3.213) 3.213 19.449 ( -0.004 0.000 -3.350) 3.350 19.449 ( -0.004 0.000 3.350) 3.350 20.950 ( 0.013 0.000 -0.430) 0.430 20.950 ( 0.013 0.000 0.430) 0.430 21.008 ( 0.107 0.000 -0.045) 0.116 21.008 ( 0.107 0.000 0.045) 0.116 21.795 ( 0.157 0.000 -1.145) 1.156 21.795 ( 0.157 0.000 1.145) 1.156 22.357 ( -0.530 0.000 -5.330) 5.356 22.357 ( -0.530 0.000 5.330) 5.356 ======================= Grid point 229 (78/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.773 ( -0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 2.281 ( -0.000 0.000 -0.000) 0.000 2.281 ( 0.000 0.000 -0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.623 ( -0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.653 ( -0.000 0.000 -0.000) 0.000 2.653 ( 0.000 0.000 -0.000) 0.000 3.366 ( -0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 4.296 ( -0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 -0.000) 0.000 5.896 ( 0.000 0.000 -0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 -0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 10.123 ( 0.000 0.000 0.000) 0.000 10.123 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 12.066 ( 0.000 0.000 -0.000) 0.000 12.066 ( 0.000 0.000 0.000) 0.000 12.142 ( -0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 19.041 ( 0.000 0.000 -0.000) 0.000 19.041 ( 0.000 0.000 0.000) 0.000 19.313 ( 0.000 0.000 0.000) 0.000 19.313 ( 0.000 0.000 0.000) 0.000 19.410 ( 0.000 0.000 0.000) 0.000 19.410 ( 0.000 0.000 0.000) 0.000 19.449 ( 0.000 0.000 -0.000) 0.000 19.449 ( 0.000 0.000 0.000) 0.000 20.950 ( 0.000 0.000 0.000) 0.000 20.950 ( 0.000 0.000 0.000) 0.000 21.009 ( 0.000 0.000 0.000) 0.000 21.009 ( 0.000 0.000 0.000) 0.000 21.797 ( 0.000 0.000 0.000) 0.000 21.797 ( 0.000 0.000 0.000) 0.000 22.349 ( -0.000 0.000 0.000) 0.000 22.349 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 9.756 -4.301) 10.662 1.452 ( 0.000 9.756 4.301) 10.662 2.008 ( 0.000 3.188 -0.267) 3.199 2.008 ( 0.000 3.188 0.267) 3.199 2.054 ( 0.000 4.768 -0.709) 4.820 2.054 ( 0.000 4.768 0.709) 4.820 2.194 ( 0.000 10.915 -12.737) 16.774 2.194 ( 0.000 10.915 12.737) 16.774 2.344 ( 0.000 3.384 -6.192) 7.056 2.344 ( 0.000 3.384 6.192) 7.056 2.593 ( 0.000 2.604 -2.104) 3.348 2.593 ( 0.000 2.604 2.104) 3.348 2.666 ( 0.000 2.333 -0.802) 2.467 2.666 ( 0.000 2.333 0.802) 2.467 3.282 ( 0.000 4.155 -12.566) 13.236 3.282 ( 0.000 4.155 12.566) 13.236 3.520 ( 0.000 -4.553 -4.763) 6.589 3.520 ( 0.000 -4.553 4.763) 6.589 3.691 ( 0.000 -0.665 -1.921) 2.033 3.691 ( 0.000 -0.665 1.921) 2.033 3.845 ( 0.000 0.678 -2.898) 2.976 3.845 ( 0.000 0.678 2.898) 2.976 4.199 ( 0.000 -2.214 -16.103) 16.254 4.199 ( 0.000 -2.214 16.103) 16.254 4.777 ( 0.000 -4.564 -7.625) 8.886 4.777 ( 0.000 -4.564 7.625) 8.886 4.934 ( 0.000 -1.333 -6.584) 6.717 4.934 ( 0.000 -1.333 6.584) 6.717 5.518 ( 0.000 -0.434 -6.127) 6.142 5.518 ( 0.000 -0.434 6.127) 6.142 5.883 ( 0.000 -1.572 -2.986) 3.375 5.883 ( 0.000 -1.572 2.986) 3.375 5.962 ( 0.000 0.297 -5.629) 5.637 5.962 ( 0.000 0.297 5.629) 5.637 6.285 ( 0.000 -4.112 -6.553) 7.736 6.285 ( 0.000 -4.112 6.553) 7.736 6.447 ( 0.000 5.414 -4.929) 7.321 6.447 ( 0.000 5.414 4.929) 7.321 7.395 ( 0.000 -3.500 -1.797) 3.935 7.395 ( 0.000 -3.500 1.797) 3.935 7.882 ( 0.000 -7.904 -1.928) 8.136 7.882 ( 0.000 -7.904 1.928) 8.136 8.212 ( 0.000 -1.880 -5.082) 5.418 8.212 ( 0.000 -1.880 5.082) 5.418 8.356 ( 0.000 2.484 -7.410) 7.815 8.356 ( 0.000 2.484 7.410) 7.815 8.445 ( 0.000 4.491 -0.780) 4.558 8.445 ( 0.000 4.491 0.780) 4.558 9.714 ( 0.000 7.884 -0.232) 7.887 9.714 ( 0.000 7.884 0.232) 7.887 10.130 ( 0.000 2.899 -3.454) 4.509 10.130 ( 0.000 2.899 3.454) 4.509 10.629 ( 0.000 2.312 -5.701) 6.152 10.629 ( 0.000 2.312 5.701) 6.152 10.805 ( 0.000 8.006 -4.444) 9.157 10.805 ( 0.000 8.006 4.444) 9.157 11.316 ( 0.000 1.669 -3.325) 3.721 11.316 ( 0.000 1.669 3.325) 3.721 11.986 ( 0.000 -7.376 -3.725) 8.264 11.986 ( 0.000 -7.376 3.725) 8.264 12.129 ( 0.000 -3.605 -5.939) 6.948 12.129 ( 0.000 -3.605 5.939) 6.948 12.213 ( 0.000 -0.817 -1.833) 2.006 12.213 ( 0.000 -0.817 1.833) 2.006 13.490 ( 0.000 0.376 -1.707) 1.748 13.490 ( 0.000 0.376 1.707) 1.748 13.868 ( 0.000 -2.823 -7.404) 7.923 13.868 ( 0.000 -2.823 7.404) 7.923 18.900 ( 0.000 -1.738 -3.538) 3.942 18.900 ( 0.000 -1.738 3.538) 3.942 19.317 ( 0.000 -5.063 -2.948) 5.859 19.317 ( 0.000 -5.063 2.948) 5.859 19.500 ( 0.000 8.663 -2.834) 9.115 19.500 ( 0.000 8.663 2.834) 9.115 19.612 ( 0.000 10.133 -1.724) 10.279 19.612 ( 0.000 10.133 1.724) 10.279 20.944 ( 0.000 -0.659 -0.602) 0.892 20.944 ( 0.000 -0.659 0.602) 0.892 20.989 ( 0.000 -1.723 -0.042) 1.723 20.989 ( 0.000 -1.723 0.042) 1.723 21.796 ( 0.000 0.396 -1.328) 1.386 21.796 ( 0.000 0.396 1.328) 1.386 22.322 ( 0.000 -4.313 -6.826) 8.075 22.322 ( 0.000 -4.313 6.827) 8.075 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.430 9.458 -3.041) 9.944 1.457 ( 0.430 9.458 3.041) 9.944 1.865 ( -8.805 -1.028 -0.550) 8.882 1.865 ( -8.805 -1.028 0.550) 8.882 2.011 ( -1.545 10.742 -0.950) 10.894 2.011 ( -1.545 10.742 0.950) 10.894 2.261 ( 4.677 8.382 -11.343) 14.860 2.261 ( 4.677 8.382 11.343) 14.860 2.467 ( 7.612 2.653 -13.684) 15.882 2.467 ( 7.612 2.653 13.684) 15.882 2.609 ( -3.289 2.663 -4.532) 6.201 2.609 ( -3.289 2.663 4.532) 6.201 2.703 ( 4.903 3.949 -10.373) 12.134 2.703 ( 4.903 3.949 10.373) 12.134 3.304 ( 2.840 2.329 -11.059) 11.653 3.304 ( 2.840 2.329 11.059) 11.653 3.528 ( -0.333 -4.236 -4.857) 6.453 3.528 ( -0.333 -4.236 4.857) 6.453 3.655 ( -1.565 0.508 -4.048) 4.369 3.655 ( -1.565 0.508 4.048) 4.369 3.790 ( -5.000 0.295 -3.117) 5.899 3.790 ( -5.000 0.295 3.117) 5.899 4.233 ( 2.567 -2.103 -10.360) 10.878 4.233 ( 2.567 -2.103 10.360) 10.878 4.772 ( -0.341 -4.265 -5.640) 7.079 4.772 ( -0.341 -4.265 5.640) 7.079 4.909 ( -1.852 -1.745 -5.217) 5.805 4.909 ( -1.852 -1.745 5.217) 5.805 5.550 ( 2.424 -0.156 -4.988) 5.548 5.550 ( 2.424 -0.156 4.988) 5.548 5.873 ( -0.923 -2.448 -1.344) 2.942 5.873 ( -0.923 -2.448 1.344) 2.942 5.960 ( -0.051 0.562 -3.394) 3.441 5.960 ( -0.051 0.562 3.394) 3.441 6.274 ( -0.876 -4.113 -5.275) 6.746 6.274 ( -0.876 -4.113 5.275) 6.746 6.450 ( 0.211 5.864 -2.923) 6.555 6.450 ( 0.211 5.864 2.923) 6.555 7.385 ( -0.662 -3.655 -1.261) 3.923 7.385 ( -0.662 -3.655 1.261) 3.923 7.926 ( 3.217 -7.691 -0.988) 8.395 7.926 ( 3.217 -7.691 0.988) 8.395 8.212 ( -0.069 -3.855 -5.588) 6.789 8.212 ( -0.069 -3.855 5.588) 6.789 8.320 ( -2.273 3.538 -7.241) 8.374 8.320 ( -2.273 3.538 7.241) 8.374 8.464 ( 1.051 4.925 -2.543) 5.642 8.464 ( 1.051 4.925 2.543) 5.642 9.717 ( 0.238 7.941 -0.392) 7.954 9.717 ( 0.238 7.941 0.392) 7.954 10.133 ( 0.231 2.209 -2.422) 3.286 10.133 ( 0.231 2.209 2.422) 3.286 10.647 ( 1.639 3.819 -5.150) 6.618 10.647 ( 1.639 3.819 5.150) 6.618 10.773 ( -2.641 7.442 -4.308) 8.995 10.773 ( -2.641 7.442 4.308) 8.995 11.316 ( 0.001 1.571 -2.416) 2.882 11.316 ( 0.001 1.571 2.416) 2.882 11.980 ( -0.420 -7.778 -2.631) 8.222 11.980 ( -0.420 -7.778 2.631) 8.222 12.139 ( 0.771 -2.497 -5.245) 5.860 12.139 ( 0.771 -2.497 5.245) 5.860 12.201 ( -0.905 -1.503 -2.391) 2.965 12.201 ( -0.905 -1.503 2.391) 2.965 13.527 ( 2.929 0.253 -2.010) 3.561 13.527 ( 2.929 0.253 2.010) 3.561 13.833 ( -2.819 -2.619 -5.923) 7.064 13.833 ( -2.819 -2.619 5.923) 7.064 18.952 ( 4.152 -1.739 -3.747) 5.857 18.952 ( 4.152 -1.739 3.747) 5.857 19.278 ( -3.341 -5.504 -3.785) 7.468 19.278 ( -3.341 -5.504 3.785) 7.468 19.500 ( -0.014 8.760 -2.190) 9.030 19.500 ( -0.014 8.760 2.190) 9.030 19.600 ( -0.764 10.389 -0.700) 10.441 19.600 ( -0.764 10.389 0.700) 10.441 20.944 ( 0.017 -0.651 -0.419) 0.775 20.944 ( 0.017 -0.651 0.419) 0.775 20.991 ( 0.111 -1.717 -0.034) 1.721 20.991 ( 0.111 -1.717 0.034) 1.721 21.798 ( 0.176 0.427 -0.948) 1.055 21.798 ( 0.176 0.427 0.948) 1.055 22.315 ( -0.486 -4.257 -4.825) 6.453 22.315 ( -0.486 -4.257 4.825) 6.453 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 9.547 0.000) 9.547 1.464 ( 0.000 9.547 0.000) 9.547 1.752 ( 0.000 -1.696 0.000) 1.696 1.752 ( 0.000 -1.696 0.000) 1.696 1.993 ( -0.000 11.729 0.000) 11.729 1.993 ( 0.000 11.729 0.000) 11.729 2.343 ( -0.000 5.798 -0.000) 5.798 2.343 ( 0.000 5.798 -0.000) 5.798 2.502 ( -0.000 2.823 0.000) 2.823 2.502 ( 0.000 2.823 0.000) 2.823 2.647 ( 0.000 2.306 0.000) 2.306 2.647 ( 0.000 2.306 0.000) 2.306 2.719 ( -0.000 6.192 -0.000) 6.192 2.719 ( 0.000 6.192 0.000) 6.192 3.391 ( -0.000 2.160 0.000) 2.160 3.391 ( 0.000 2.160 0.000) 2.160 3.485 ( 0.000 -5.148 0.000) 5.148 3.485 ( 0.000 -5.148 0.000) 5.148 3.675 ( -0.000 -1.785 -0.000) 1.785 3.675 ( 0.000 -1.785 0.000) 1.785 3.675 ( -0.000 3.043 -0.000) 3.043 3.675 ( 0.000 3.043 0.000) 3.043 4.271 ( -0.000 -2.080 0.000) 2.080 4.271 ( 0.000 -2.080 0.000) 2.080 4.768 ( 0.000 -3.812 0.000) 3.812 4.768 ( 0.000 -3.812 0.000) 3.812 4.881 ( 0.000 -2.281 0.000) 2.281 4.881 ( 0.000 -2.281 0.000) 2.281 5.588 ( 0.000 0.433 0.000) 0.433 5.588 ( 0.000 0.433 0.000) 0.433 5.856 ( 0.000 -3.762 -0.000) 3.762 5.856 ( 0.000 -3.762 -0.000) 3.762 5.960 ( 0.000 0.827 0.000) 0.827 5.960 ( 0.000 0.827 0.000) 0.827 6.261 ( 0.000 -3.934 0.000) 3.934 6.261 ( 0.000 -3.934 0.000) 3.934 6.453 ( 0.000 6.252 0.000) 6.252 6.453 ( 0.000 6.252 0.000) 6.252 7.376 ( 0.000 -3.827 0.000) 3.827 7.376 ( 0.000 -3.827 0.000) 3.827 7.975 ( 0.000 -7.114 0.000) 7.114 7.975 ( 0.000 -7.114 0.000) 7.114 8.209 ( 0.000 -8.222 0.000) 8.222 8.209 ( 0.000 -8.222 0.000) 8.222 8.289 ( 0.000 6.650 -0.000) 6.650 8.289 ( 0.000 6.650 0.000) 6.650 8.476 ( 0.000 5.333 0.000) 5.333 8.476 ( 0.000 5.333 0.000) 5.333 9.721 ( 0.000 8.019 0.000) 8.019 9.721 ( 0.000 8.019 0.000) 8.019 10.136 ( 0.000 1.443 0.000) 1.443 10.136 ( 0.000 1.443 0.000) 1.443 10.691 ( 0.000 8.062 -0.000) 8.062 10.691 ( -0.000 8.062 0.000) 8.062 10.714 ( 0.000 4.204 0.000) 4.204 10.714 ( -0.000 4.204 0.000) 4.204 11.316 ( -0.000 1.466 0.000) 1.466 11.316 ( 0.000 1.466 0.000) 1.466 11.974 ( 0.000 -8.127 0.000) 8.127 11.974 ( 0.000 -8.127 0.000) 8.127 12.153 ( -0.000 -0.348 0.000) 0.348 12.153 ( 0.000 -0.348 0.000) 0.348 12.185 ( -0.000 -3.284 0.000) 3.284 12.185 ( 0.000 -3.284 0.000) 3.284 13.576 ( -0.000 0.171 0.000) 0.171 13.576 ( 0.000 0.171 0.000) 0.171 13.785 ( 0.000 -2.456 0.000) 2.456 13.785 ( 0.000 -2.456 0.000) 2.456 19.026 ( 0.000 -1.237 -0.000) 1.237 19.026 ( 0.000 -1.237 0.000) 1.237 19.214 ( 0.000 -6.307 0.000) 6.307 19.214 ( 0.000 -6.307 0.000) 6.307 19.500 ( 0.000 8.854 0.000) 8.854 19.500 ( 0.000 8.854 0.000) 8.854 19.590 ( 0.000 10.510 -0.000) 10.510 19.590 ( 0.000 10.510 0.000) 10.510 20.944 ( 0.000 -0.643 0.000) 0.643 20.944 ( 0.000 -0.643 0.000) 0.643 20.993 ( 0.000 -1.711 0.000) 1.711 20.993 ( 0.000 -1.711 0.000) 1.711 21.801 ( 0.000 0.459 0.000) 0.459 21.801 ( 0.000 0.459 0.000) 0.459 22.308 ( -0.000 -4.202 0.000) 4.202 22.308 ( 0.000 -4.202 0.000) 4.202 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.000 11.085 -2.940) 11.469 1.663 ( 0.000 11.085 2.940) 11.469 2.005 ( 0.000 -1.159 -2.124) 2.420 2.005 ( 0.000 -1.159 2.124) 2.420 2.214 ( 0.000 9.282 -0.322) 9.288 2.214 ( 0.000 9.282 0.322) 9.288 2.391 ( 0.000 7.532 -2.921) 8.078 2.391 ( 0.000 7.532 2.921) 8.078 2.477 ( 0.000 9.086 -5.125) 10.431 2.477 ( 0.000 9.086 5.125) 10.431 2.667 ( 0.000 4.535 -0.048) 4.536 2.667 ( 0.000 4.535 0.048) 4.536 2.746 ( 0.000 7.556 -1.605) 7.724 2.746 ( 0.000 7.556 1.605) 7.724 3.382 ( 0.000 5.758 -13.307) 14.499 3.382 ( 0.000 5.758 13.307) 14.499 3.426 ( 0.000 -4.504 -7.339) 8.611 3.426 ( 0.000 -4.504 7.339) 8.611 3.648 ( 0.000 -3.991 -3.095) 5.051 3.648 ( 0.000 -3.991 3.095) 5.051 3.858 ( 0.000 0.599 -0.422) 0.732 3.858 ( 0.000 0.599 0.422) 0.732 4.176 ( 0.000 0.709 -12.006) 12.027 4.176 ( 0.000 0.709 12.006) 12.027 4.635 ( 0.000 -9.967 -13.580) 16.845 4.635 ( 0.000 -9.967 13.580) 16.845 4.905 ( 0.000 -1.645 -3.442) 3.815 4.905 ( 0.000 -1.645 3.442) 3.815 5.503 ( 0.000 -1.257 -3.303) 3.534 5.503 ( 0.000 -1.257 3.303) 3.534 5.840 ( 0.000 -2.754 -0.913) 2.901 5.840 ( 0.000 -2.754 0.913) 2.901 5.970 ( 0.000 0.392 -1.494) 1.544 5.970 ( 0.000 0.392 1.494) 1.544 6.208 ( 0.000 -3.667 -5.101) 6.282 6.208 ( 0.000 -3.667 5.101) 6.282 6.572 ( 0.000 7.690 -3.675) 8.523 6.572 ( 0.000 7.690 3.675) 8.523 7.297 ( 0.000 -6.772 -1.561) 6.950 7.297 ( 0.000 -6.772 1.561) 6.950 7.739 ( 0.000 -6.634 -0.276) 6.639 7.739 ( 0.000 -6.634 0.276) 6.639 8.148 ( 0.000 -4.012 -3.540) 5.350 8.148 ( 0.000 -4.012 3.540) 5.350 8.399 ( 0.000 1.671 -6.270) 6.489 8.399 ( 0.000 1.671 6.270) 6.489 8.543 ( 0.000 5.228 -3.413) 6.244 8.543 ( 0.000 5.228 3.413) 6.244 9.899 ( 0.000 10.426 -1.971) 10.610 9.899 ( 0.000 10.426 1.971) 10.610 10.198 ( 0.000 3.887 -2.076) 4.407 10.198 ( 0.000 3.887 2.076) 4.407 10.729 ( 0.000 8.307 -8.704) 12.032 10.729 ( 0.000 8.307 8.704) 12.032 10.986 ( 0.000 10.574 -6.867) 12.608 10.986 ( 0.000 10.574 6.867) 12.608 11.369 ( 0.000 3.913 -1.703) 4.268 11.369 ( 0.000 3.913 1.703) 4.268 11.805 ( 0.000 -11.241 -5.285) 12.422 11.805 ( 0.000 -11.241 5.285) 12.422 12.025 ( 0.000 -7.162 -8.795) 11.342 12.025 ( 0.000 -7.162 8.795) 11.342 12.171 ( 0.000 -3.641 -3.380) 4.968 12.171 ( 0.000 -3.641 3.380) 4.968 13.499 ( 0.000 0.528 -1.347) 1.447 13.499 ( 0.000 0.528 1.347) 1.447 13.805 ( 0.000 -3.453 -4.921) 6.012 13.805 ( 0.000 -3.453 4.921) 6.012 18.865 ( 0.000 -1.809 -2.569) 3.142 18.865 ( 0.000 -1.809 2.569) 3.142 19.242 ( 0.000 -3.015 -2.064) 3.654 19.242 ( 0.000 -3.015 2.064) 3.654 19.708 ( 0.000 12.214 -0.524) 12.225 19.708 ( 0.000 12.214 0.524) 12.225 19.813 ( 0.000 10.681 -0.713) 10.705 19.813 ( 0.000 10.681 0.713) 10.705 20.922 ( 0.000 -1.666 -0.579) 1.764 20.922 ( 0.000 -1.666 0.579) 1.764 20.943 ( 0.000 -3.012 -0.004) 3.012 20.943 ( 0.000 -3.012 0.004) 3.012 21.811 ( 0.000 1.303 -0.580) 1.427 21.811 ( 0.000 1.303 0.580) 1.427 22.212 ( 0.000 -6.802 -5.117) 8.512 22.212 ( 0.000 -6.802 5.117) 8.512 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.698 9.031 -1.651) 9.207 1.648 ( -0.698 9.031 1.651) 9.207 1.853 ( -9.029 -0.153 -1.602) 9.172 1.853 ( -9.029 -0.153 1.602) 9.172 2.222 ( 0.591 10.945 -1.572) 11.073 2.222 ( 0.591 10.945 1.572) 11.073 2.451 ( 1.753 9.717 -9.343) 13.594 2.451 ( 1.753 9.717 9.343) 13.594 2.558 ( 7.004 6.006 -9.873) 13.513 2.558 ( 7.004 6.006 9.873) 13.513 2.667 ( -1.490 3.254 -2.488) 4.359 2.667 ( -1.490 3.254 2.488) 4.359 2.821 ( 5.974 8.887 -6.445) 12.498 2.821 ( 5.974 8.887 6.445) 12.498 3.349 ( -0.625 2.093 -10.117) 10.350 3.349 ( -0.625 2.093 10.117) 10.350 3.462 ( 1.088 -2.324 -4.141) 4.871 3.462 ( 1.088 -2.324 4.141) 4.871 3.634 ( -0.776 -2.731 -2.406) 3.721 3.634 ( -0.776 -2.731 2.406) 3.721 3.795 ( -5.033 0.206 -3.589) 6.185 3.795 ( -5.033 0.206 3.589) 6.185 4.211 ( 2.515 0.539 -7.822) 8.234 4.211 ( 2.515 0.539 7.822) 8.234 4.639 ( 0.440 -9.345 -10.231) 13.864 4.639 ( 0.440 -9.345 10.231) 13.864 4.868 ( -2.872 -2.524 -2.801) 4.740 4.868 ( -2.872 -2.524 2.801) 4.740 5.543 ( 3.141 -0.779 -3.140) 4.509 5.543 ( 3.141 -0.779 3.140) 4.509 5.813 ( -2.324 -3.513 -1.663) 4.529 5.813 ( -2.324 -3.513 1.663) 4.529 5.977 ( 0.499 1.022 -0.995) 1.511 5.977 ( 0.499 1.022 0.995) 1.511 6.195 ( -0.913 -3.878 -4.148) 5.751 6.195 ( -0.913 -3.878 4.148) 5.751 6.581 ( 0.717 7.961 -2.495) 8.374 6.581 ( 0.717 7.961 2.495) 8.374 7.286 ( -0.781 -6.709 -1.186) 6.857 7.286 ( -0.781 -6.709 1.186) 6.857 7.788 ( 3.849 -6.343 -0.740) 7.457 7.788 ( 3.849 -6.343 0.740) 7.457 8.107 ( -3.229 -5.893 -2.455) 7.154 8.107 ( -3.229 -5.893 2.455) 7.154 8.403 ( 0.273 3.896 -3.956) 5.559 8.403 ( 0.273 3.896 3.956) 5.559 8.549 ( 0.424 3.948 -2.532) 4.709 8.549 ( 0.424 3.948 2.532) 4.709 9.908 ( 0.669 11.006 -1.609) 11.143 9.908 ( 0.669 11.006 1.609) 11.143 10.187 ( -0.811 3.232 -1.641) 3.715 10.187 ( -0.811 3.232 1.641) 3.715 10.765 ( 2.941 8.412 -7.789) 11.836 10.765 ( 2.941 8.412 7.789) 11.836 10.953 ( -2.755 11.072 -6.581) 13.172 10.953 ( -2.755 11.072 6.581) 13.172 11.366 ( -0.251 3.638 -1.473) 3.933 11.366 ( -0.251 3.638 1.473) 3.933 11.792 ( -0.916 -11.736 -3.862) 12.389 11.792 ( -0.916 -11.736 3.862) 12.389 12.051 ( 2.018 -6.419 -7.712) 10.235 12.051 ( 2.018 -6.419 7.712) 10.235 12.152 ( -1.588 -3.819 -3.854) 5.654 12.152 ( -1.588 -3.819 3.854) 5.654 13.534 ( 2.784 0.424 -1.579) 3.228 13.534 ( 2.784 0.424 1.579) 3.228 13.773 ( -2.558 -3.271 -4.056) 5.805 13.773 ( -2.558 -3.271 4.056) 5.805 18.916 ( 4.301 -1.799 -2.741) 5.408 18.916 ( 4.301 -1.799 2.741) 5.408 19.194 ( -3.992 -3.354 -2.552) 5.805 19.194 ( -3.992 -3.354 2.552) 5.805 19.710 ( 0.121 12.332 -0.442) 12.340 19.710 ( 0.121 12.332 0.442) 12.340 19.806 ( -0.536 10.781 -0.361) 10.801 19.806 ( -0.536 10.781 0.361) 10.801 20.923 ( 0.037 -1.642 -0.393) 1.689 20.923 ( 0.037 -1.642 0.393) 1.689 20.945 ( 0.122 -3.004 -0.037) 3.007 20.945 ( 0.122 -3.004 0.037) 3.007 21.815 ( 0.251 1.391 -0.438) 1.479 21.815 ( 0.251 1.391 0.438) 1.479 22.206 ( -0.428 -6.789 -3.638) 7.715 22.206 ( -0.428 -6.789 3.638) 7.715 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.000 8.191 0.000) 8.191 1.651 ( 0.000 8.191 0.000) 8.191 1.727 ( 0.000 -0.668 0.000) 0.668 1.727 ( 0.000 -0.668 0.000) 0.668 2.231 ( 0.000 12.369 0.000) 12.369 2.231 ( 0.000 12.369 0.000) 12.369 2.472 ( -0.000 7.249 0.000) 7.249 2.472 ( 0.000 7.249 0.000) 7.249 2.616 ( -0.000 7.614 -0.000) 7.614 2.616 ( 0.000 7.614 0.000) 7.614 2.696 ( 0.000 2.479 0.000) 2.479 2.696 ( 0.000 2.479 0.000) 2.479 2.880 ( 0.000 11.085 -0.000) 11.085 2.880 ( -0.000 11.085 0.000) 11.085 3.412 ( -0.000 -1.793 -0.000) 1.793 3.412 ( 0.000 -1.793 -0.000) 1.793 3.416 ( -0.000 -0.545 0.000) 0.545 3.416 ( 0.000 -0.545 0.000) 0.545 3.631 ( 0.000 -2.894 0.000) 2.894 3.631 ( 0.000 -2.894 0.000) 2.894 3.713 ( 0.000 1.180 -0.000) 1.180 3.713 ( 0.000 1.180 0.000) 1.180 4.247 ( 0.000 0.061 0.000) 0.061 4.247 ( 0.000 0.061 0.000) 0.061 4.649 ( 0.000 -8.209 0.000) 8.209 4.649 ( 0.000 -8.209 0.000) 8.209 4.822 ( 0.000 -3.756 0.000) 3.756 4.822 ( 0.000 -3.756 0.000) 3.756 5.597 ( -0.000 0.382 0.000) 0.382 5.597 ( 0.000 0.382 0.000) 0.382 5.770 ( 0.000 -4.964 -0.000) 4.964 5.770 ( 0.000 -4.964 0.000) 4.964 5.984 ( 0.000 1.696 0.000) 1.696 5.984 ( 0.000 1.696 0.000) 1.696 6.182 ( 0.000 -4.138 0.000) 4.138 6.182 ( 0.000 -4.138 0.000) 4.138 6.592 ( 0.000 8.237 0.000) 8.237 6.592 ( 0.000 8.237 0.000) 8.237 7.275 ( 0.000 -6.707 0.000) 6.707 7.275 ( 0.000 -6.707 0.000) 6.707 7.853 ( 0.000 -5.281 0.000) 5.281 7.853 ( 0.000 -5.281 0.000) 5.281 8.051 ( 0.000 -8.209 0.000) 8.209 8.051 ( 0.000 -8.209 0.000) 8.209 8.407 ( 0.000 5.605 0.000) 5.605 8.407 ( 0.000 5.605 0.000) 5.605 8.555 ( 0.000 2.887 0.000) 2.887 8.555 ( 0.000 2.887 0.000) 2.887 9.918 ( 0.000 11.712 0.000) 11.712 9.918 ( 0.000 11.712 0.000) 11.712 10.175 ( 0.000 2.451 0.000) 2.451 10.175 ( 0.000 2.451 0.000) 2.451 10.824 ( 0.000 7.217 -0.000) 7.217 10.824 ( 0.000 7.217 -0.000) 7.217 10.896 ( 0.000 12.860 0.000) 12.860 10.896 ( -0.000 12.860 0.000) 12.860 11.362 ( -0.000 3.367 0.000) 3.367 11.362 ( 0.000 3.367 0.000) 3.367 11.779 ( -0.000 -12.135 0.000) 12.135 11.779 ( 0.000 -12.135 0.000) 12.135 12.094 ( -0.000 -6.142 -0.000) 6.142 12.094 ( 0.000 -6.142 -0.000) 6.142 12.114 ( -0.000 -3.625 0.000) 3.625 12.114 ( 0.000 -3.625 0.000) 3.625 13.582 ( -0.000 0.528 0.000) 0.528 13.582 ( 0.000 0.528 0.000) 0.528 13.728 ( 0.000 -3.294 0.000) 3.294 13.728 ( 0.000 -3.294 0.000) 3.294 19.004 ( 0.000 -0.935 0.000) 0.935 19.004 ( 0.000 -0.935 0.000) 0.935 19.111 ( -0.000 -4.527 0.000) 4.527 19.111 ( 0.000 -4.527 0.000) 4.527 19.712 ( -0.000 12.467 0.000) 12.467 19.712 ( 0.000 12.467 0.000) 12.467 19.798 ( 0.000 10.846 -0.000) 10.846 19.798 ( 0.000 10.846 0.000) 10.846 20.923 ( 0.000 -1.619 -0.000) 1.619 20.923 ( 0.000 -1.619 -0.000) 1.619 20.947 ( 0.000 -2.996 0.000) 2.996 20.947 ( 0.000 -2.996 0.000) 2.996 21.818 ( 0.000 1.482 0.000) 1.482 21.818 ( 0.000 1.482 0.000) 1.482 22.200 ( -0.000 -6.782 0.000) 6.782 22.200 ( 0.000 -6.782 0.000) 6.782 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 6.960 -2.226) 7.307 1.837 ( 0.000 6.960 2.226) 7.307 1.977 ( 0.000 -1.764 -2.720) 3.241 1.977 ( 0.000 -1.764 2.720) 3.241 2.377 ( 0.000 7.409 -1.790) 7.622 2.377 ( 0.000 7.409 1.790) 7.622 2.502 ( 0.000 3.138 -3.065) 4.387 2.502 ( 0.000 3.138 3.065) 4.387 2.608 ( 0.000 6.195 -6.529) 9.000 2.608 ( 0.000 6.195 6.529) 9.000 2.725 ( 0.000 1.544 -2.210) 2.696 2.725 ( 0.000 1.544 2.210) 2.696 2.925 ( 0.000 8.045 -5.906) 9.981 2.925 ( 0.000 8.045 5.906) 9.981 3.358 ( 0.000 -1.841 -9.864) 10.035 3.358 ( 0.000 -1.841 9.864) 10.035 3.466 ( 0.000 -2.128 -3.016) 3.691 3.466 ( 0.000 -2.128 3.016) 3.691 3.587 ( 0.000 2.755 -11.433) 11.760 3.587 ( 0.000 2.755 11.433) 11.760 3.876 ( 0.000 2.237 -1.169) 2.524 3.876 ( 0.000 2.237 1.169) 2.524 4.203 ( 0.000 -1.407 -7.920) 8.045 4.203 ( 0.000 -1.407 7.921) 8.045 4.448 ( 0.000 -6.688 -12.940) 14.566 4.448 ( 0.000 -6.688 12.940) 14.566 4.872 ( 0.000 -1.690 -1.687) 2.388 4.872 ( 0.000 -1.690 1.687) 2.388 5.472 ( 0.000 -1.810 -0.957) 2.048 5.472 ( 0.000 -1.810 0.957) 2.048 5.788 ( 0.000 -2.419 -1.617) 2.910 5.788 ( 0.000 -2.419 1.617) 2.910 5.969 ( 0.000 -0.530 -0.485) 0.718 5.969 ( 0.000 -0.530 0.485) 0.718 6.161 ( 0.000 -1.260 -2.156) 2.497 6.161 ( 0.000 -1.260 2.156) 2.497 6.735 ( 0.000 9.252 -2.386) 9.555 6.735 ( 0.000 9.252 2.386) 9.555 7.145 ( 0.000 -8.977 -0.672) 9.002 7.145 ( 0.000 -8.977 0.672) 9.002 7.642 ( 0.000 -3.388 -0.515) 3.427 7.642 ( 0.000 -3.388 0.515) 3.427 8.079 ( 0.000 -2.902 -1.803) 3.417 8.079 ( 0.000 -2.902 1.803) 3.417 8.420 ( 0.000 0.673 -3.260) 3.329 8.420 ( 0.000 0.673 3.260) 3.329 8.625 ( 0.000 3.118 -2.320) 3.886 8.625 ( 0.000 3.118 2.320) 3.886 10.067 ( 0.000 6.392 -2.574) 6.891 10.067 ( 0.000 6.392 2.574) 6.891 10.264 ( 0.000 2.725 -0.331) 2.745 10.264 ( 0.000 2.725 0.331) 2.745 10.937 ( 0.000 13.342 -10.668) 17.083 10.937 ( 0.000 13.342 10.668) 17.083 11.190 ( 0.000 10.277 -6.807) 12.327 11.190 ( 0.000 10.277 6.807) 12.327 11.424 ( 0.000 -2.151 -5.713) 6.105 11.424 ( 0.000 -2.151 5.713) 6.105 11.597 ( 0.000 -7.319 -1.794) 7.536 11.597 ( 0.000 -7.319 1.794) 7.536 11.873 ( 0.000 -8.084 -8.445) 11.691 11.873 ( 0.000 -8.084 8.445) 11.691 12.085 ( 0.000 -4.845 -2.888) 5.640 12.085 ( 0.000 -4.845 2.888) 5.640 13.508 ( 0.000 0.378 -0.757) 0.846 13.508 ( 0.000 0.378 0.757) 0.846 13.750 ( 0.000 -2.090 -2.326) 3.127 13.750 ( 0.000 -2.090 2.326) 3.127 18.837 ( 0.000 -1.049 -1.303) 1.672 18.837 ( 0.000 -1.049 1.303) 1.672 19.200 ( 0.000 -1.439 -1.035) 1.773 19.200 ( 0.000 -1.439 1.035) 1.773 19.921 ( 0.000 9.092 -1.022) 9.150 19.921 ( 0.000 9.092 1.022) 9.150 19.995 ( 0.000 7.740 -0.341) 7.748 19.995 ( 0.000 7.740 0.341) 7.748 20.882 ( 0.000 -2.368 -0.776) 2.492 20.882 ( 0.000 -2.368 0.776) 2.492 20.885 ( 0.000 -2.605 -0.284) 2.620 20.885 ( 0.000 -2.605 0.284) 2.620 21.848 ( 0.000 2.620 -0.361) 2.645 21.848 ( 0.000 2.620 0.361) 2.645 22.081 ( 0.000 -6.505 -3.163) 7.233 22.081 ( 0.000 -6.505 3.163) 7.233 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -4.058 4.120 -0.584) 5.813 1.771 ( -4.058 4.120 0.584) 5.813 1.852 ( -7.604 -0.259 -2.236) 7.931 1.852 ( -7.604 -0.259 2.236) 7.931 2.430 ( 2.899 10.422 -2.396) 11.080 2.430 ( 2.899 10.422 2.396) 11.080 2.603 ( 2.571 5.508 -6.035) 8.566 2.603 ( 2.571 5.508 6.035) 8.566 2.635 ( 4.709 2.330 -0.851) 5.322 2.635 ( 4.709 2.330 0.851) 5.322 2.717 ( -0.444 1.515 -2.052) 2.589 2.717 ( -0.444 1.515 2.052) 2.589 2.992 ( 5.992 6.674 -6.180) 10.892 2.992 ( 5.992 6.674 6.180) 10.892 3.377 ( 0.424 0.199 -5.590) 5.610 3.377 ( 0.424 0.199 5.590) 5.610 3.448 ( -1.089 -0.216 -3.622) 3.788 3.448 ( -1.089 -0.216 3.622) 3.788 3.574 ( -0.841 -1.165 -6.182) 6.347 3.574 ( -0.841 -1.165 6.182) 6.347 3.819 ( -4.115 3.776 -1.777) 5.861 3.819 ( -4.115 3.776 1.777) 5.861 4.214 ( 0.486 -4.304 -5.390) 6.915 4.214 ( 0.486 -4.304 5.390) 6.915 4.478 ( 2.773 -4.079 -8.657) 9.963 4.478 ( 2.773 -4.079 8.657) 9.963 4.816 ( -4.457 -2.787 -1.628) 5.503 4.816 ( -4.457 -2.787 1.628) 5.503 5.520 ( 3.968 -1.377 -1.401) 4.428 5.520 ( 3.968 -1.377 1.401) 4.428 5.751 ( -3.222 -2.719 -1.830) 4.596 5.751 ( -3.222 -2.719 1.830) 4.596 5.991 ( 1.751 0.314 -0.935) 2.010 5.991 ( 1.751 0.314 0.935) 2.010 6.140 ( -1.643 -1.786 -2.171) 3.256 6.140 ( -1.643 -1.786 2.171) 3.256 6.748 ( 0.952 9.404 -1.781) 9.619 6.748 ( 0.952 9.404 1.781) 9.619 7.136 ( -0.620 -8.845 -0.753) 8.899 7.136 ( -0.620 -8.845 0.753) 8.899 7.697 ( 4.488 -3.183 -0.732) 5.550 7.697 ( 4.488 -3.183 0.732) 5.550 8.009 ( -5.380 -4.045 -1.190) 6.835 8.009 ( -5.380 -4.045 1.190) 6.835 8.459 ( 2.668 1.954 -1.979) 3.854 8.459 ( 2.668 1.954 1.979) 3.854 8.608 ( -1.333 2.180 -1.673) 3.054 8.608 ( -1.333 2.180 1.673) 3.054 10.089 ( 1.793 7.058 -2.423) 7.675 10.089 ( 1.793 7.058 2.423) 7.675 10.245 ( -1.502 2.618 -1.094) 3.211 10.245 ( -1.502 2.618 1.094) 3.211 10.961 ( 1.851 12.266 -8.684) 15.142 10.961 ( 1.851 12.266 8.684) 15.142 11.174 ( -1.321 11.445 -6.066) 13.020 11.174 ( -1.321 11.445 6.066) 13.020 11.423 ( 0.002 -0.644 -5.493) 5.530 11.423 ( 0.002 -0.644 5.493) 5.530 11.558 ( -2.527 -10.499 -3.422) 11.329 11.558 ( -2.527 -10.499 3.422) 11.329 11.917 ( 3.182 -6.722 -6.179) 9.669 11.917 ( 3.182 -6.722 6.179) 9.669 12.064 ( -1.786 -4.953 -2.698) 5.916 12.064 ( -1.786 -4.953 2.698) 5.916 13.542 ( 2.796 0.378 -0.916) 2.966 13.542 ( 2.796 0.378 0.916) 2.966 13.720 ( -2.497 -2.062 -2.020) 3.817 13.720 ( -2.497 -2.062 2.020) 3.817 18.889 ( 4.398 -1.052 -1.413) 4.738 18.889 ( 4.398 -1.052 1.413) 4.738 19.148 ( -4.403 -1.590 -1.303) 4.860 19.148 ( -4.403 -1.590 1.303) 4.860 19.926 ( 0.386 9.316 -0.809) 9.359 19.926 ( 0.386 9.316 0.809) 9.359 19.987 ( -0.616 7.596 -0.399) 7.631 19.987 ( -0.616 7.596 0.399) 7.631 20.884 ( 0.107 -2.246 -0.563) 2.318 20.884 ( 0.107 -2.246 0.563) 2.318 20.887 ( 0.099 -2.690 -0.251) 2.703 20.887 ( 0.099 -2.690 0.251) 2.703 21.855 ( 0.481 2.911 -0.390) 2.977 21.855 ( 0.481 2.911 0.390) 2.977 22.073 ( -0.550 -6.740 -2.315) 7.148 22.073 ( -0.550 -6.740 2.315) 7.148 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -0.000 0.751 -0.000) 0.751 1.729 ( 0.000 0.751 0.000) 0.751 1.743 ( 0.000 1.879 0.000) 1.879 1.743 ( 0.000 1.879 0.000) 1.879 2.467 ( 0.000 12.258 0.000) 12.258 2.467 ( 0.000 12.258 0.000) 12.258 2.602 ( -0.000 6.135 0.000) 6.135 2.602 ( 0.000 6.135 0.000) 6.135 2.710 ( 0.000 1.737 -0.000) 1.737 2.710 ( 0.000 1.737 0.000) 1.737 2.723 ( 0.000 -0.221 0.000) 0.221 2.723 ( -0.000 -0.221 0.000) 0.221 3.102 ( -0.000 10.056 0.000) 10.056 3.102 ( 0.000 10.056 0.000) 10.056 3.358 ( 0.000 -5.051 0.000) 5.051 3.358 ( 0.000 -5.051 0.000) 5.051 3.438 ( 0.000 3.812 -0.000) 3.812 3.438 ( 0.000 3.812 0.000) 3.812 3.563 ( 0.000 -3.986 0.000) 3.986 3.563 ( 0.000 -3.986 0.000) 3.986 3.760 ( 0.000 5.959 -0.000) 5.959 3.760 ( 0.000 5.959 0.000) 5.959 4.217 ( -0.000 -7.189 0.000) 7.189 4.217 ( 0.000 -7.189 0.000) 7.189 4.534 ( 0.000 -0.247 0.000) 0.247 4.534 ( 0.000 -0.247 0.000) 0.247 4.739 ( 0.000 -5.156 0.000) 5.156 4.739 ( 0.000 -5.156 0.000) 5.156 5.601 ( -0.000 0.272 0.000) 0.272 5.601 ( 0.000 0.272 0.000) 0.272 5.680 ( -0.000 -4.237 0.000) 4.237 5.680 ( 0.000 -4.237 0.000) 4.237 6.021 ( -0.000 2.038 0.000) 2.038 6.021 ( 0.000 2.038 0.000) 2.038 6.111 ( -0.000 -3.208 0.000) 3.208 6.111 ( 0.000 -3.208 0.000) 3.208 6.762 ( -0.000 9.566 0.000) 9.566 6.762 ( 0.000 9.566 0.000) 9.566 7.127 ( 0.000 -8.765 0.000) 8.765 7.127 ( 0.000 -8.765 0.000) 8.765 7.788 ( 0.000 -1.287 0.000) 1.287 7.788 ( 0.000 -1.287 0.000) 1.287 7.907 ( 0.000 -6.709 0.000) 6.709 7.907 ( 0.000 -6.709 0.000) 6.709 8.500 ( 0.000 4.180 0.000) 4.180 8.500 ( 0.000 4.180 0.000) 4.180 8.584 ( 0.000 0.152 0.000) 0.152 8.584 ( 0.000 0.152 0.000) 0.152 10.120 ( 0.000 8.520 -0.000) 8.520 10.120 ( 0.000 8.520 0.000) 8.520 10.218 ( 0.000 1.699 0.000) 1.699 10.218 ( 0.000 1.699 0.000) 1.699 10.992 ( 0.000 10.699 -0.000) 10.699 10.992 ( 0.000 10.699 -0.000) 10.699 11.151 ( 0.000 13.125 0.000) 13.125 11.151 ( -0.000 13.125 0.000) 13.125 11.424 ( 0.000 1.967 0.000) 1.967 11.424 ( 0.000 1.967 0.000) 1.967 11.524 ( 0.000 -14.359 -0.000) 14.359 11.524 ( -0.000 -14.359 -0.000) 14.359 11.973 ( -0.000 -5.447 0.000) 5.447 11.973 ( 0.000 -5.447 0.000) 5.447 12.025 ( -0.000 -5.410 0.000) 5.410 12.025 ( 0.000 -5.410 0.000) 5.410 13.598 ( -0.000 1.099 0.000) 1.099 13.598 ( 0.000 1.099 0.000) 1.099 13.669 ( 0.000 -2.753 0.000) 2.753 13.669 ( 0.000 -2.753 0.000) 2.753 18.994 ( -0.000 -0.044 0.000) 0.044 18.994 ( 0.000 -0.044 0.000) 0.044 19.042 ( -0.000 -2.749 0.000) 2.749 19.042 ( 0.000 -2.749 0.000) 2.749 19.933 ( -0.000 9.724 0.000) 9.724 19.933 ( 0.000 9.724 0.000) 9.724 19.977 ( -0.000 7.263 0.000) 7.263 19.977 ( 0.000 7.263 0.000) 7.263 20.885 ( 0.000 -2.135 -0.000) 2.135 20.885 ( 0.000 -2.135 -0.000) 2.135 20.888 ( 0.000 -2.765 0.000) 2.765 20.888 ( 0.000 -2.765 0.000) 2.765 21.862 ( 0.000 3.263 0.000) 3.263 21.862 ( 0.000 3.263 0.000) 3.263 22.065 ( 0.000 -7.036 0.000) 7.036 22.065 ( 0.000 -7.036 0.000) 7.036 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 0.000 -0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 -0.000 -0.000) 0.000 1.935 ( 0.000 0.000 -0.000) 0.000 2.466 ( 0.000 -0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 -0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 -0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 -0.000 -0.000) 0.000 2.712 ( 0.000 0.000 -0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 -0.000 0.000) 0.000 3.372 ( 0.000 0.000 -0.000) 0.000 3.372 ( 0.000 -0.000 -0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 -0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 -0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 7.007 ( 0.000 -0.000 0.000) 0.000 7.007 ( 0.000 -0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 -0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 -0.000 -0.000) 0.000 11.215 ( 0.000 0.000 -0.000) 0.000 11.313 ( 0.000 0.000 -0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 -0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 13.730 ( 0.000 0.000 0.000) 0.000 13.730 ( 0.000 0.000 0.000) 0.000 18.827 ( 0.000 0.000 0.000) 0.000 18.827 ( 0.000 0.000 0.000) 0.000 19.186 ( 0.000 0.000 0.000) 0.000 19.186 ( 0.000 0.000 0.000) 0.000 20.014 ( 0.000 0.000 0.000) 0.000 20.014 ( 0.000 0.000 0.000) 0.000 20.075 ( 0.000 0.000 0.000) 0.000 20.075 ( 0.000 0.000 0.000) 0.000 20.855 ( 0.000 0.000 -0.000) 0.000 20.855 ( 0.000 0.000 -0.000) 0.000 20.857 ( 0.000 -0.000 0.000) 0.000 20.857 ( 0.000 0.000 0.000) 0.000 21.890 ( 0.000 0.000 0.000) 0.000 21.890 ( 0.000 0.000 0.000) 0.000 22.001 ( 0.000 0.000 0.000) 0.000 22.001 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -6.398 -0.000 0.000) 6.398 1.814 ( -6.398 0.000 0.000) 6.398 1.843 ( -6.194 0.000 0.000) 6.194 1.843 ( -6.194 0.000 0.000) 6.194 2.581 ( 4.639 -0.000 0.000) 4.639 2.581 ( 4.639 0.000 0.000) 4.639 2.589 ( 6.449 -0.000 0.000) 6.449 2.589 ( 6.449 0.000 0.000) 6.449 2.700 ( -0.488 -0.000 0.000) 0.488 2.700 ( -0.488 0.000 0.000) 0.488 2.715 ( -0.064 -0.000 -0.000) 0.064 2.715 ( -0.064 0.000 -0.000) 0.064 3.054 ( 5.366 0.000 0.000) 5.366 3.054 ( 5.366 0.000 0.000) 5.366 3.372 ( -0.900 0.000 0.000) 0.900 3.372 ( -0.900 -0.000 0.000) 0.900 3.417 ( 3.493 0.000 0.000) 3.493 3.417 ( 3.493 0.000 0.000) 3.493 3.593 ( -5.099 0.000 0.000) 5.099 3.593 ( -5.099 0.000 0.000) 5.099 3.946 ( -0.101 0.000 -0.000) 0.101 3.946 ( -0.101 0.000 0.000) 0.101 4.056 ( -3.261 -0.000 -0.000) 3.261 4.056 ( -3.261 0.000 0.000) 3.261 4.479 ( 4.936 -0.000 0.000) 4.936 4.479 ( 4.936 0.000 0.000) 4.936 4.781 ( -5.879 0.000 0.000) 5.879 4.781 ( -5.879 0.000 0.000) 5.879 5.504 ( 4.363 0.000 0.000) 4.363 5.504 ( 4.363 0.000 0.000) 4.363 5.723 ( -3.459 0.000 0.000) 3.459 5.723 ( -3.459 0.000 0.000) 3.459 5.992 ( 2.561 0.000 0.000) 2.561 5.992 ( 2.561 0.000 0.000) 2.561 6.125 ( -2.242 0.000 0.000) 2.242 6.125 ( -2.242 0.000 0.000) 2.242 6.898 ( 1.925 0.000 0.000) 1.925 6.898 ( 1.925 0.000 0.000) 1.925 6.991 ( -1.399 -0.000 0.000) 1.399 6.991 ( -1.399 -0.000 0.000) 1.399 7.667 ( 4.842 0.000 0.000) 4.842 7.667 ( 4.842 0.000 0.000) 4.842 7.968 ( -6.315 0.000 0.000) 6.315 7.968 ( -6.315 0.000 0.000) 6.315 8.477 ( 3.707 0.000 0.000) 3.707 8.477 ( 3.707 0.000 0.000) 3.707 8.629 ( -2.216 0.000 0.000) 2.216 8.629 ( -2.216 0.000 0.000) 2.216 10.156 ( 2.403 0.000 0.000) 2.403 10.156 ( 2.403 0.000 0.000) 2.403 10.273 ( -1.651 -0.000 0.000) 1.651 10.273 ( -1.651 0.000 0.000) 1.651 11.218 ( 0.406 -0.000 0.000) 0.406 11.218 ( 0.406 0.000 0.000) 0.406 11.223 ( 0.502 -0.000 -0.000) 0.502 11.223 ( 0.502 0.000 -0.000) 0.502 11.323 ( 1.157 0.000 -0.000) 1.157 11.323 ( 1.157 -0.000 0.000) 1.157 11.494 ( -5.349 0.000 0.000) 5.349 11.494 ( -5.349 0.000 0.000) 5.349 11.846 ( 4.421 -0.000 0.000) 4.421 11.846 ( 4.421 0.000 0.000) 4.421 12.004 ( -2.036 0.000 0.000) 2.036 12.004 ( -2.036 0.000 0.000) 2.036 13.546 ( 2.881 0.000 0.000) 2.881 13.546 ( 2.881 0.000 0.000) 2.881 13.700 ( -2.565 0.000 0.000) 2.565 13.700 ( -2.565 0.000 0.000) 2.565 18.878 ( 4.423 0.000 0.000) 4.423 18.878 ( 4.423 0.000 0.000) 4.423 19.133 ( -4.529 0.000 0.000) 4.529 19.133 ( -4.529 0.000 0.000) 4.529 20.022 ( 0.675 0.000 0.000) 0.675 20.022 ( 0.675 0.000 0.000) 0.675 20.065 ( -0.859 0.000 0.000) 0.859 20.065 ( -0.859 0.000 0.000) 0.859 20.857 ( 0.143 -0.000 -0.000) 0.143 20.857 ( 0.143 0.000 -0.000) 0.143 20.858 ( 0.092 -0.000 0.000) 0.092 20.858 ( 0.092 0.000 0.000) 0.092 21.906 ( 1.369 0.000 0.000) 1.369 21.906 ( 1.369 0.000 0.000) 1.369 21.984 ( -1.401 0.000 0.000) 1.401 21.984 ( -1.401 0.000 0.000) 1.401 ======================= Grid point 273 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.591 -0.696 0.000) 0.913 1.747 ( -0.591 -0.696 0.000) 0.913 1.747 ( 0.591 0.696 0.000) 0.913 1.747 ( 0.591 0.696 0.000) 0.913 2.659 ( -0.020 -6.913 0.000) 6.913 2.659 ( -0.020 -6.913 0.000) 6.913 2.659 ( 0.020 6.913 0.000) 6.913 2.659 ( 0.020 6.913 0.000) 6.913 2.693 ( -0.131 -3.035 -0.000) 3.037 2.693 ( -0.131 -3.035 0.000) 3.037 2.693 ( 0.131 3.035 0.000) 3.037 2.693 ( 0.131 3.035 0.000) 3.037 3.247 ( -5.902 -5.006 0.000) 7.739 3.247 ( -5.902 -5.006 0.000) 7.739 3.247 ( 5.902 5.006 0.000) 7.739 3.247 ( 5.902 5.006 0.000) 7.739 3.498 ( -1.851 -2.256 0.000) 2.918 3.498 ( -1.851 -2.256 0.000) 2.918 3.498 ( 1.851 2.256 0.000) 2.918 3.498 ( 1.851 2.256 0.000) 2.918 3.977 ( -0.305 -14.823 0.000) 14.826 3.977 ( -0.305 -14.823 0.000) 14.826 3.977 ( 0.305 14.823 -0.000) 14.826 3.977 ( 0.305 14.823 0.000) 14.826 4.623 ( -3.644 -5.869 0.000) 6.908 4.623 ( -3.644 -5.869 0.000) 6.908 4.623 ( 3.644 5.869 0.000) 6.908 4.623 ( 3.644 5.869 0.000) 6.908 5.620 ( -4.358 -1.162 0.000) 4.510 5.620 ( -4.358 -1.162 0.000) 4.510 5.620 ( 4.358 1.162 0.000) 4.510 5.620 ( 4.358 1.162 0.000) 4.510 6.061 ( -1.906 -1.821 0.000) 2.636 6.061 ( -1.906 -1.821 0.000) 2.636 6.061 ( 1.906 1.821 0.000) 2.636 6.061 ( 1.906 1.821 0.000) 2.636 6.948 ( -0.272 -9.780 0.000) 9.784 6.948 ( -0.272 -9.780 0.000) 9.784 6.948 ( 0.272 9.780 0.000) 9.784 6.948 ( 0.272 9.780 0.000) 9.784 7.808 ( -5.407 -2.248 0.000) 5.856 7.808 ( -5.407 -2.248 0.000) 5.856 7.808 ( 5.407 2.248 0.000) 5.856 7.808 ( 5.407 2.248 0.000) 5.856 8.563 ( -2.220 -1.832 0.000) 2.878 8.563 ( -2.220 -1.832 0.000) 2.878 8.563 ( 2.220 1.832 0.000) 2.878 8.563 ( 2.220 1.832 0.000) 2.878 10.220 ( -1.675 -1.721 0.000) 2.401 10.220 ( -1.675 -1.721 0.000) 2.401 10.220 ( 1.675 1.721 0.000) 2.401 10.220 ( 1.675 1.721 0.000) 2.401 11.227 ( -0.002 -12.812 -0.000) 12.812 11.227 ( -0.002 -12.812 0.000) 12.812 11.227 ( 0.002 12.812 0.000) 12.812 11.227 ( 0.002 12.812 0.000) 12.812 11.381 ( -1.298 -5.959 0.000) 6.099 11.381 ( -1.298 -5.959 0.000) 6.099 11.381 ( 1.298 5.959 -0.000) 6.099 11.381 ( 1.298 5.959 0.000) 6.099 11.939 ( -2.299 -1.824 0.000) 2.935 11.939 ( -2.299 -1.824 0.000) 2.935 11.939 ( 2.299 1.824 0.000) 2.935 11.939 ( 2.299 1.824 0.000) 2.935 13.625 ( -2.745 -1.297 0.000) 3.035 13.625 ( -2.745 -1.297 0.000) 3.035 13.625 ( 2.745 1.297 0.000) 3.035 13.625 ( 2.745 1.297 0.000) 3.035 19.005 ( -5.912 -0.434 0.000) 5.928 19.005 ( -5.912 -0.434 0.000) 5.928 19.005 ( 5.912 0.434 0.000) 5.928 19.005 ( 5.912 0.434 0.000) 5.928 20.042 ( -0.455 -1.003 0.000) 1.101 20.042 ( -0.455 -1.003 0.000) 1.101 20.042 ( 0.455 1.003 0.000) 1.101 20.042 ( 0.455 1.003 0.000) 1.101 20.859 ( -0.003 -0.053 0.000) 0.054 20.859 ( -0.003 -0.053 0.000) 0.054 20.859 ( 0.003 0.053 0.000) 0.054 20.859 ( 0.003 0.053 0.000) 0.054 21.945 ( -0.344 -5.366 0.000) 5.377 21.945 ( -0.344 -5.366 0.000) 5.377 21.945 ( 0.344 5.366 0.000) 5.377 21.945 ( 0.344 5.366 0.000) 5.377 =================== 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 3/26880 10.0 539.863 849.915 672.518 0.000 0.000 0.000 3/26880 20.0 154.883 195.068 239.505 0.000 0.000 0.000 3/26880 30.0 68.367 91.451 108.938 0.000 0.000 0.000 3/26880 40.0 39.922 55.669 64.430 0.000 0.000 0.000 3/26880 50.0 26.633 37.894 43.501 0.000 0.000 0.000 3/26880 60.0 19.311 27.734 31.854 0.000 0.000 0.000 3/26880 70.0 14.852 21.427 24.678 0.000 0.000 0.000 3/26880 80.0 11.932 17.255 19.927 0.000 0.000 0.000 3/26880 90.0 9.909 14.348 16.607 0.000 0.000 0.000 3/26880 100.0 8.443 12.236 14.185 0.000 0.000 0.000 3/26880 110.0 7.341 10.646 12.357 0.000 0.000 0.000 3/26880 120.0 6.488 9.415 10.937 0.000 0.000 0.000 3/26880 130.0 5.810 8.437 9.807 0.000 0.000 0.000 3/26880 140.0 5.261 7.644 8.890 0.000 0.000 0.000 3/26880 150.0 4.807 6.989 8.132 0.000 0.000 0.000 3/26880 160.0 4.426 6.440 7.496 0.000 0.000 0.000 3/26880 170.0 4.103 5.974 6.955 0.000 0.000 0.000 3/26880 180.0 3.824 5.574 6.490 0.000 0.000 0.000 3/26880 190.0 3.582 5.226 6.086 0.000 0.000 0.000 3/26880 200.0 3.370 4.920 5.732 0.000 0.000 0.000 3/26880 210.0 3.182 4.651 5.418 0.000 0.000 0.000 3/26880 220.0 3.015 4.411 5.139 0.000 0.000 0.000 3/26880 230.0 2.865 4.196 4.889 0.000 0.000 0.000 3/26880 240.0 2.730 4.001 4.663 0.000 0.000 0.000 3/26880 250.0 2.608 3.826 4.458 0.000 0.000 0.000 3/26880 260.0 2.496 3.665 4.272 0.000 0.000 0.000 3/26880 270.0 2.394 3.518 4.101 0.000 0.000 0.000 3/26880 280.0 2.300 3.384 3.944 0.000 0.000 0.000 3/26880 290.0 2.214 3.259 3.799 0.000 0.000 0.000 3/26880 300.0 2.134 3.144 3.665 0.000 0.000 0.000 3/26880 310.0 2.060 3.037 3.540 0.000 0.000 0.000 3/26880 320.0 1.991 2.938 3.424 0.000 0.000 0.000 3/26880 330.0 1.926 2.845 3.316 0.000 0.000 0.000 3/26880 340.0 1.866 2.758 3.214 0.000 0.000 0.000 3/26880 350.0 1.809 2.676 3.119 0.000 0.000 0.000 3/26880 360.0 1.756 2.599 3.030 0.000 0.000 0.000 3/26880 370.0 1.706 2.527 2.945 0.000 0.000 0.000 3/26880 380.0 1.659 2.459 2.866 0.000 0.000 0.000 3/26880 390.0 1.615 2.394 2.790 0.000 0.000 0.000 3/26880 400.0 1.572 2.333 2.719 0.000 0.000 0.000 3/26880 410.0 1.532 2.275 2.651 0.000 0.000 0.000 3/26880 420.0 1.494 2.219 2.587 0.000 0.000 0.000 3/26880 430.0 1.458 2.167 2.526 0.000 0.000 0.000 3/26880 440.0 1.424 2.117 2.467 0.000 0.000 0.000 3/26880 450.0 1.391 2.069 2.412 0.000 0.000 0.000 3/26880 460.0 1.360 2.024 2.358 0.000 0.000 0.000 3/26880 470.0 1.330 1.980 2.308 0.000 0.000 0.000 3/26880 480.0 1.302 1.938 2.259 0.000 0.000 0.000 3/26880 490.0 1.274 1.898 2.213 0.000 0.000 0.000 3/26880 500.0 1.248 1.860 2.168 0.000 0.000 0.000 3/26880 510.0 1.223 1.823 2.125 0.000 0.000 0.000 3/26880 520.0 1.199 1.788 2.084 0.000 0.000 0.000 3/26880 530.0 1.176 1.754 2.044 0.000 0.000 0.000 3/26880 540.0 1.154 1.721 2.006 0.000 0.000 0.000 3/26880 550.0 1.132 1.690 1.969 0.000 0.000 0.000 3/26880 560.0 1.112 1.660 1.934 0.000 0.000 0.000 3/26880 570.0 1.092 1.630 1.900 0.000 0.000 0.000 3/26880 580.0 1.073 1.602 1.867 0.000 0.000 0.000 3/26880 590.0 1.054 1.575 1.835 0.000 0.000 0.000 3/26880 600.0 1.036 1.549 1.805 0.000 0.000 0.000 3/26880 610.0 1.019 1.523 1.775 0.000 0.000 0.000 3/26880 620.0 1.002 1.499 1.746 0.000 0.000 0.000 3/26880 630.0 0.986 1.475 1.718 0.000 0.000 0.000 3/26880 640.0 0.971 1.452 1.691 0.000 0.000 0.000 3/26880 650.0 0.955 1.429 1.665 0.000 0.000 0.000 3/26880 660.0 0.941 1.408 1.640 0.000 0.000 0.000 3/26880 670.0 0.926 1.387 1.616 0.000 0.000 0.000 3/26880 680.0 0.913 1.366 1.592 0.000 0.000 0.000 3/26880 690.0 0.899 1.346 1.569 0.000 0.000 0.000 3/26880 700.0 0.886 1.327 1.546 0.000 0.000 0.000 3/26880 710.0 0.874 1.308 1.525 0.000 0.000 0.000 3/26880 720.0 0.861 1.290 1.503 0.000 0.000 0.000 3/26880 730.0 0.849 1.273 1.483 0.000 0.000 0.000 3/26880 740.0 0.838 1.255 1.463 0.000 0.000 0.000 3/26880 750.0 0.827 1.239 1.443 0.000 0.000 0.000 3/26880 760.0 0.816 1.222 1.424 0.000 0.000 0.000 3/26880 770.0 0.805 1.206 1.406 0.000 0.000 0.000 3/26880 780.0 0.795 1.191 1.388 0.000 0.000 0.000 3/26880 790.0 0.784 1.176 1.370 0.000 0.000 0.000 3/26880 800.0 0.774 1.161 1.353 0.000 0.000 0.000 3/26880 810.0 0.765 1.147 1.336 0.000 0.000 0.000 3/26880 820.0 0.755 1.133 1.320 0.000 0.000 0.000 3/26880 830.0 0.746 1.119 1.304 0.000 0.000 0.000 3/26880 840.0 0.737 1.106 1.289 0.000 0.000 0.000 3/26880 850.0 0.729 1.093 1.273 0.000 0.000 0.000 3/26880 860.0 0.720 1.080 1.259 0.000 0.000 0.000 3/26880 870.0 0.712 1.068 1.244 0.000 0.000 0.000 3/26880 880.0 0.704 1.056 1.230 0.000 0.000 0.000 3/26880 890.0 0.696 1.044 1.216 0.000 0.000 0.000 3/26880 900.0 0.688 1.032 1.203 0.000 0.000 0.000 3/26880 910.0 0.680 1.021 1.190 0.000 0.000 0.000 3/26880 920.0 0.673 1.010 1.177 0.000 0.000 0.000 3/26880 930.0 0.666 0.999 1.164 0.000 0.000 0.000 3/26880 940.0 0.658 0.989 1.152 0.000 0.000 0.000 3/26880 950.0 0.651 0.978 1.140 0.000 0.000 0.000 3/26880 960.0 0.645 0.968 1.128 0.000 0.000 0.000 3/26880 970.0 0.638 0.958 1.116 0.000 0.000 0.000 3/26880 980.0 0.631 0.948 1.105 0.000 0.000 0.000 3/26880 990.0 0.625 0.939 1.094 0.000 0.000 0.000 3/26880 1000.0 0.619 0.929 1.083 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m4810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:58:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|