----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:20:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.886565150000000 5.027945280000000 5.478252840000000 b 3.886565150000000 -5.027945280000000 5.478252840000000 c 3.886565150000000 5.027945280000000 -5.478252840000000 Atomic positions (fractional): *1 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 2 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 *3 Zr 0.81918779145147 0.13331164778390 0.95249943923537 91.224 4 Zr 0.18081220854853 0.86668835221610 0.04750056076463 91.224 5 Zr 0.31918779145147 0.36668835221610 0.68587614366757 91.224 6 Zr 0.68081220854853 0.63331164778390 0.31412385633243 91.224 *7 F 0.32145204570173 0.53408428993692 0.58216271278881 18.998 *8 F 0.71907688113952 0.37017053527657 0.08924741641609 18.998 9 F 0.95192157714811 0.73928933291292 0.41783728721119 18.998 *10 F 0.94736688738881 0.60552194809601 0.81179266162586 18.998 11 F 0.21907688113952 0.12982946472343 0.34890634586295 18.998 12 F 0.79372928647015 0.13557422576295 0.18820733837414 18.998 13 F 0.54807842285188 0.96591571006308 0.78736775576481 18.998 14 F 0.44736688738881 0.63557422576295 0.34184493929280 18.998 15 F 0.78092311886048 0.87017053527657 0.65109365413705 18.998 16 F 0.29372928647015 0.10552194809601 0.65815506070720 18.998 17 F 0.45192157714811 0.03408428993692 0.21263224423519 18.998 18 F 0.70627071352985 0.89447805190399 0.34184493929280 18.998 19 F 0.55263311261119 0.36442577423705 0.65815506070720 18.998 20 F 0.04807842285188 0.26071066708707 0.58216271278881 18.998 *21 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 22 F 0.82145204570173 0.23928933291293 0.78736775576481 18.998 23 F 0.20627071352985 0.86442577423705 0.81179266162586 18.998 24 F 0.67854795429827 0.46591571006308 0.41783728721119 18.998 25 F 0.17854795429827 0.76071066708707 0.21263224423519 18.998 26 F 0.28092311886048 0.62982946472343 0.91075258358391 18.998 27 F 0.05263311261119 0.39447805190399 0.18820733837414 18.998 28 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.773130300000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.055890560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.956505679999999 Atomic positions (fractional): *1 Pr 0.00000000000000 0.50000000000000 0.75000000000000 140.908 > 1 2 Pr 0.00000000000000 0.50000000000000 0.25000000000000 140.908 > 2 3 Pr 0.50000000000000 0.00000000000000 0.25000000000000 140.908 > 1 4 Pr 0.50000000000000 0.00000000000000 0.75000000000000 140.908 > 2 *5 Zr 0.13331164778390 0.81918779145147 0.00000000000000 91.224 > 3 6 Zr 0.86668835221610 0.18081220854853 0.00000000000000 91.224 > 4 7 Zr 0.36668835221610 0.31918779145147 0.00000000000000 91.224 > 5 8 Zr 0.63331164778390 0.68081220854853 0.00000000000000 91.224 > 6 9 Zr 0.63331164778390 0.31918779145147 0.50000000000000 91.224 > 3 10 Zr 0.36668835221610 0.68081220854853 0.50000000000000 91.224 > 4 11 Zr 0.86668835221610 0.81918779145147 0.50000000000000 91.224 > 5 12 Zr 0.13331164778390 0.18081220854853 0.50000000000000 91.224 > 6 *13 F 0.39739747851200 0.18476523427681 0.13668681142492 18.998 > 7 *14 F 0.37017053527657 0.71907688113952 0.00000000000000 18.998 > 8 15 F 0.60260252148800 0.81523476572319 0.13668681142492 18.998 > 9 *16 F 0.23497386116653 0.57681880045933 0.37054808692948 18.998 > 10 17 F 0.12982946472343 0.21907688113952 0.00000000000000 18.998 > 11 18 F 0.76502613883347 0.42318119954067 0.37054808692948 18.998 > 12 19 F 0.10260252148800 0.68476523427681 0.86331318857508 18.998 > 13 20 F 0.76502613883347 0.57681880045933 0.87054808692948 18.998 > 14 21 F 0.87017053527657 0.78092311886048 0.00000000000000 18.998 > 15 22 F 0.23497386116653 0.42318119954067 0.87054808692948 18.998 > 16 23 F 0.89739747851200 0.31523476572319 0.13668681142492 18.998 > 17 24 F 0.76502613883347 0.57681880045933 0.12945191307052 18.998 > 18 25 F 0.23497386116653 0.42318119954067 0.12945191307052 18.998 > 19 26 F 0.39739747851200 0.18476523427681 0.86331318857508 18.998 > 20 *27 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 21 28 F 0.10260252148800 0.68476523427681 0.13668681142492 18.998 > 22 29 F 0.23497386116653 0.57681880045933 0.62945191307052 18.998 > 23 30 F 0.60260252148800 0.81523476572319 0.86331318857508 18.998 > 24 31 F 0.89739747851200 0.31523476572319 0.86331318857508 18.998 > 25 32 F 0.62982946472343 0.28092311886048 0.00000000000000 18.998 > 26 33 F 0.76502613883347 0.42318119954067 0.62945191307052 18.998 > 27 34 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 > 28 35 F 0.89739747851200 0.68476523427681 0.63668681142492 18.998 > 7 36 F 0.87017053527657 0.21907688113952 0.50000000000000 18.998 > 8 37 F 0.10260252148800 0.31523476572319 0.63668681142492 18.998 > 9 38 F 0.73497386116653 0.07681880045933 0.87054808692948 18.998 > 10 39 F 0.62982946472343 0.71907688113952 0.50000000000000 18.998 > 11 40 F 0.26502613883347 0.92318119954067 0.87054808692948 18.998 > 12 41 F 0.60260252148800 0.18476523427681 0.36331318857508 18.998 > 13 42 F 0.26502613883347 0.07681880045933 0.37054808692948 18.998 > 14 43 F 0.37017053527657 0.28092311886048 0.50000000000000 18.998 > 15 44 F 0.73497386116653 0.92318119954067 0.37054808692948 18.998 > 16 45 F 0.39739747851200 0.81523476572319 0.63668681142492 18.998 > 17 46 F 0.26502613883347 0.07681880045933 0.62945191307052 18.998 > 18 47 F 0.73497386116653 0.92318119954067 0.62945191307052 18.998 > 19 48 F 0.89739747851200 0.68476523427681 0.36331318857508 18.998 > 20 49 F 0.50000000000000 0.50000000000000 0.50000000000000 18.998 > 21 50 F 0.60260252148800 0.18476523427681 0.63668681142492 18.998 > 22 51 F 0.73497386116653 0.07681880045933 0.12945191307052 18.998 > 23 52 F 0.10260252148800 0.31523476572319 0.36331318857508 18.998 > 24 53 F 0.39739747851200 0.81523476572319 0.36331318857508 18.998 > 25 54 F 0.12982946472343 0.78092311886048 0.50000000000000 18.998 > 26 55 F 0.26502613883347 0.92318119954067 0.12945191307052 18.998 > 27 56 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.546260600000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.055890560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.956505679999999 Atomic positions (fractional): *1 Pr 0.00000000000000 0.50000000000000 0.75000000000000 140.908 > 1 2 Pr 0.50000000000000 0.50000000000000 0.75000000000000 140.908 > 1 3 Pr 0.00000000000000 0.50000000000000 0.25000000000000 140.908 > 2 4 Pr 0.50000000000000 0.50000000000000 0.25000000000000 140.908 > 2 5 Pr 0.25000000000000 0.00000000000000 0.25000000000000 140.908 > 1 6 Pr 0.75000000000000 0.00000000000000 0.25000000000000 140.908 > 1 7 Pr 0.25000000000000 0.00000000000000 0.75000000000000 140.908 > 2 8 Pr 0.75000000000000 0.00000000000000 0.75000000000000 140.908 > 2 *9 Zr 0.06665582389195 0.81918779145147 0.00000000000000 91.224 > 3 10 Zr 0.56665582389195 0.81918779145147 0.00000000000000 91.224 > 3 11 Zr 0.43334417610805 0.18081220854853 0.00000000000000 91.224 > 4 12 Zr 0.93334417610805 0.18081220854853 0.00000000000000 91.224 > 4 13 Zr 0.18334417610805 0.31918779145147 0.00000000000000 91.224 > 5 14 Zr 0.68334417610805 0.31918779145147 0.00000000000000 91.224 > 5 15 Zr 0.31665582389195 0.68081220854853 0.00000000000000 91.224 > 6 16 Zr 0.81665582389195 0.68081220854853 0.00000000000000 91.224 > 6 17 Zr 0.31665582389195 0.31918779145147 0.50000000000000 91.224 > 3 18 Zr 0.81665582389195 0.31918779145147 0.50000000000000 91.224 > 3 19 Zr 0.18334417610805 0.68081220854853 0.50000000000000 91.224 > 4 20 Zr 0.68334417610805 0.68081220854853 0.50000000000000 91.224 > 4 21 Zr 0.43334417610805 0.81918779145147 0.50000000000000 91.224 > 5 22 Zr 0.93334417610805 0.81918779145147 0.50000000000000 91.224 > 5 23 Zr 0.06665582389195 0.18081220854853 0.50000000000000 91.224 > 6 24 Zr 0.56665582389195 0.18081220854853 0.50000000000000 91.224 > 6 *25 F 0.19869873925600 0.18476523427681 0.13668681142492 18.998 > 7 26 F 0.69869873925600 0.18476523427681 0.13668681142492 18.998 > 7 *27 F 0.18508526763829 0.71907688113952 0.00000000000000 18.998 > 8 28 F 0.68508526763829 0.71907688113952 0.00000000000000 18.998 > 8 29 F 0.30130126074400 0.81523476572319 0.13668681142492 18.998 > 9 30 F 0.80130126074400 0.81523476572319 0.13668681142492 18.998 > 9 *31 F 0.11748693058327 0.57681880045933 0.37054808692948 18.998 > 10 32 F 0.61748693058327 0.57681880045933 0.37054808692948 18.998 > 10 33 F 0.06491473236171 0.21907688113952 0.00000000000000 18.998 > 11 34 F 0.56491473236171 0.21907688113952 0.00000000000000 18.998 > 11 35 F 0.38251306941673 0.42318119954067 0.37054808692948 18.998 > 12 36 F 0.88251306941673 0.42318119954067 0.37054808692948 18.998 > 12 37 F 0.05130126074400 0.68476523427681 0.86331318857508 18.998 > 13 38 F 0.55130126074400 0.68476523427681 0.86331318857508 18.998 > 13 39 F 0.38251306941673 0.57681880045933 0.87054808692948 18.998 > 14 40 F 0.88251306941673 0.57681880045933 0.87054808692948 18.998 > 14 41 F 0.43508526763829 0.78092311886048 0.00000000000000 18.998 > 15 42 F 0.93508526763829 0.78092311886048 0.00000000000000 18.998 > 15 43 F 0.11748693058327 0.42318119954067 0.87054808692948 18.998 > 16 44 F 0.61748693058327 0.42318119954067 0.87054808692948 18.998 > 16 45 F 0.44869873925600 0.31523476572319 0.13668681142492 18.998 > 17 46 F 0.94869873925600 0.31523476572319 0.13668681142492 18.998 > 17 47 F 0.38251306941673 0.57681880045933 0.12945191307052 18.998 > 18 48 F 0.88251306941673 0.57681880045933 0.12945191307052 18.998 > 18 49 F 0.11748693058327 0.42318119954067 0.12945191307052 18.998 > 19 50 F 0.61748693058327 0.42318119954067 0.12945191307052 18.998 > 19 51 F 0.19869873925600 0.18476523427681 0.86331318857508 18.998 > 20 52 F 0.69869873925600 0.18476523427681 0.86331318857508 18.998 > 20 *53 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 21 54 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 > 21 55 F 0.05130126074400 0.68476523427681 0.13668681142492 18.998 > 22 56 F 0.55130126074400 0.68476523427681 0.13668681142492 18.998 > 22 57 F 0.11748693058327 0.57681880045933 0.62945191307052 18.998 > 23 58 F 0.61748693058327 0.57681880045933 0.62945191307052 18.998 > 23 59 F 0.30130126074400 0.81523476572319 0.86331318857508 18.998 > 24 60 F 0.80130126074400 0.81523476572319 0.86331318857508 18.998 > 24 61 F 0.44869873925600 0.31523476572319 0.86331318857508 18.998 > 25 62 F 0.94869873925600 0.31523476572319 0.86331318857508 18.998 > 25 63 F 0.31491473236171 0.28092311886048 0.00000000000000 18.998 > 26 64 F 0.81491473236171 0.28092311886048 0.00000000000000 18.998 > 26 65 F 0.38251306941673 0.42318119954067 0.62945191307052 18.998 > 27 66 F 0.88251306941673 0.42318119954067 0.62945191307052 18.998 > 27 67 F 0.25000000000000 0.50000000000000 0.00000000000000 18.998 > 28 68 F 0.75000000000000 0.50000000000000 0.00000000000000 18.998 > 28 69 F 0.44869873925600 0.68476523427681 0.63668681142492 18.998 > 7 70 F 0.94869873925600 0.68476523427681 0.63668681142492 18.998 > 7 71 F 0.43508526763829 0.21907688113952 0.50000000000000 18.998 > 8 72 F 0.93508526763829 0.21907688113952 0.50000000000000 18.998 > 8 73 F 0.05130126074400 0.31523476572319 0.63668681142492 18.998 > 9 74 F 0.55130126074400 0.31523476572319 0.63668681142492 18.998 > 9 75 F 0.36748693058327 0.07681880045933 0.87054808692948 18.998 > 10 76 F 0.86748693058327 0.07681880045933 0.87054808692948 18.998 > 10 77 F 0.31491473236171 0.71907688113952 0.50000000000000 18.998 > 11 78 F 0.81491473236171 0.71907688113952 0.50000000000000 18.998 > 11 79 F 0.13251306941673 0.92318119954067 0.87054808692948 18.998 > 12 80 F 0.63251306941673 0.92318119954067 0.87054808692948 18.998 > 12 81 F 0.30130126074400 0.18476523427681 0.36331318857508 18.998 > 13 82 F 0.80130126074400 0.18476523427681 0.36331318857508 18.998 > 13 83 F 0.13251306941673 0.07681880045933 0.37054808692948 18.998 > 14 84 F 0.63251306941673 0.07681880045933 0.37054808692948 18.998 > 14 85 F 0.18508526763829 0.28092311886048 0.50000000000000 18.998 > 15 86 F 0.68508526763829 0.28092311886048 0.50000000000000 18.998 > 15 87 F 0.36748693058327 0.92318119954067 0.37054808692948 18.998 > 16 88 F 0.86748693058327 0.92318119954067 0.37054808692948 18.998 > 16 89 F 0.19869873925600 0.81523476572319 0.63668681142492 18.998 > 17 90 F 0.69869873925600 0.81523476572319 0.63668681142492 18.998 > 17 91 F 0.13251306941673 0.07681880045933 0.62945191307052 18.998 > 18 92 F 0.63251306941673 0.07681880045933 0.62945191307052 18.998 > 18 93 F 0.36748693058327 0.92318119954067 0.62945191307052 18.998 > 19 94 F 0.86748693058327 0.92318119954067 0.62945191307052 18.998 > 19 95 F 0.44869873925600 0.68476523427681 0.36331318857508 18.998 > 20 96 F 0.94869873925600 0.68476523427681 0.36331318857508 18.998 > 20 97 F 0.25000000000000 0.50000000000000 0.50000000000000 18.998 > 21 98 F 0.75000000000000 0.50000000000000 0.50000000000000 18.998 > 21 99 F 0.30130126074400 0.18476523427681 0.63668681142492 18.998 > 22 100 F 0.80130126074400 0.18476523427681 0.63668681142492 18.998 > 22 101 F 0.36748693058327 0.07681880045933 0.12945191307052 18.998 > 23 102 F 0.86748693058327 0.07681880045933 0.12945191307052 18.998 > 23 103 F 0.05130126074400 0.31523476572319 0.36331318857508 18.998 > 24 104 F 0.55130126074400 0.31523476572319 0.36331318857508 18.998 > 24 105 F 0.19869873925600 0.81523476572319 0.36331318857508 18.998 > 25 106 F 0.69869873925600 0.81523476572319 0.36331318857508 18.998 > 25 107 F 0.06491473236171 0.78092311886048 0.50000000000000 18.998 > 26 108 F 0.56491473236171 0.78092311886048 0.50000000000000 18.998 > 26 109 F 0.13251306941673 0.92318119954067 0.12945191307052 18.998 > 27 110 F 0.63251306941673 0.92318119954067 0.12945191307052 18.998 > 27 111 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 28 112 F 0.50000000000000 0.00000000000000 0.50000000000000 18.998 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5031677 0.0000000 0.0000000 0.0000000 2.5091261 0.0000000 0.0000000 0.0000000 2.3819933 -------------------------- Born effective charges -------------------------- 1 Pr 4.0701649 0.0000000 0.0000000 0.0000000 4.4969451 -0.0000000 -0.0000000 -0.0000000 4.3824078 2 Pr 4.0701649 0.0000000 0.0000000 0.0000000 4.4969451 -0.0000000 -0.0000000 -0.0000000 4.3824078 3 Zr 5.4030568 0.2099916 0.0000000 0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 4 Zr 5.4030568 0.2099916 0.0000000 0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 5 Zr 5.4030568 -0.2099916 0.0000000 -0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 6 Zr 5.4030568 -0.2099916 0.0000000 -0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 7 F -0.7811539 0.3906254 -0.3136735 0.3033032 -1.6111968 0.8962053 -0.2448317 0.9422065 -1.4824723 8 F -2.5141470 0.6694319 0.0000000 0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 9 F -0.7811539 0.3906254 0.3136735 0.3033032 -1.6111968 -0.8962053 0.2448317 -0.9422065 -1.4824723 10 F -1.3715791 -0.4801293 -0.7431720 -0.5428409 -1.0821195 -0.5907074 -0.7948668 -0.5521302 -1.4320772 11 F -2.5141470 -0.6694319 0.0000000 -0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 12 F -1.3715791 -0.4801293 0.7431720 -0.5428409 -1.0821195 0.5907074 0.7948668 0.5521302 -1.4320772 13 F -0.7811539 -0.3906254 -0.3136735 -0.3033032 -1.6111968 -0.8962053 -0.2448317 -0.9422065 -1.4824723 14 F -1.3715791 0.4801293 0.7431720 0.5428409 -1.0821195 -0.5907074 0.7948668 -0.5521302 -1.4320772 15 F -2.5141470 -0.6694319 0.0000000 -0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 16 F -1.3715791 0.4801293 -0.7431720 0.5428409 -1.0821195 0.5907074 -0.7948668 0.5521302 -1.4320772 17 F -0.7811539 -0.3906254 -0.3136735 -0.3033032 -1.6111968 -0.8962053 -0.2448317 -0.9422065 -1.4824723 18 F -1.3715791 0.4801293 -0.7431720 0.5428409 -1.0821195 0.5907074 -0.7948668 0.5521302 -1.4320772 19 F -1.3715791 0.4801293 0.7431720 0.5428409 -1.0821195 -0.5907074 0.7948668 -0.5521302 -1.4320772 20 F -0.7811539 0.3906254 0.3136735 0.3033032 -1.6111968 -0.8962053 0.2448317 -0.9422065 -1.4824723 21 F -1.2370523 1.0192190 0.0000000 0.9769586 -2.3565997 -0.0000000 -0.0000000 -0.0000000 -0.4828649 22 F -0.7811539 -0.3906254 0.3136735 -0.3033032 -1.6111968 0.8962053 0.2448317 0.9422065 -1.4824723 23 F -1.3715791 -0.4801293 0.7431720 -0.5428409 -1.0821195 0.5907074 0.7948668 0.5521302 -1.4320772 24 F -0.7811539 0.3906254 -0.3136735 0.3033032 -1.6111968 0.8962053 -0.2448317 0.9422065 -1.4824723 25 F -0.7811539 -0.3906254 0.3136735 -0.3033032 -1.6111968 0.8962053 0.2448317 0.9422065 -1.4824723 26 F -2.5141470 0.6694319 0.0000000 0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 27 F -1.3715791 -0.4801293 -0.7431720 -0.5428409 -1.0821195 -0.5907074 -0.7948668 -0.5521302 -1.4320772 28 F -1.2370523 -1.0192190 0.0000000 -0.9769586 -2.3565997 -0.0000000 -0.0000000 -0.0000000 -0.4828649 ---------------------------------------------------------------------------- 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: 18732/18732 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1923 Number of blocks in projector: 1923 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: 444 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 338 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 267 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 267 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 267 Use standard eigh solver. Tree of FC basis block matrices: - (1923, 1887), data: False |-- (267, 261), data: True |-- (267, 261), data: True |-- (267, 261), data: True |-- (338, 334), data: True |-- (340, 336), data: True |-- (444, 434), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.232 Solver_block: 200 / 480 - Time: 3.176 Solver_block: 300 / 480 - Time: 3.166 Solver_block: 400 / 480 - Time: 3.174 Solver_block: 480 / 480 - Time: 2.573 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.374 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 18732/18732 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1923 Number of blocks in projector: 1923 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: 444 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 338 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 267 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 267 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 267 Use standard eigh solver. Tree of FC basis block matrices: - (1923, 1887), data: False |-- (267, 261), data: True |-- (267, 261), data: True |-- (267, 261), data: True |-- (338, 334), data: True |-- (340, 336), data: True |-- (444, 434), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:20:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:20:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.886565150000000 5.027945280000000 5.478252840000000 b 3.886565150000000 -5.027945280000000 5.478252840000000 c 3.886565150000000 5.027945280000000 -5.478252840000000 Atomic positions (fractional): 1 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 2 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 3 Zr 0.81918779145147 0.13331164778390 0.95249943923537 91.224 4 Zr 0.18081220854853 0.86668835221610 0.04750056076463 91.224 5 Zr 0.31918779145147 0.36668835221610 0.68587614366757 91.224 6 Zr 0.68081220854853 0.63331164778390 0.31412385633243 91.224 7 F 0.32145204570173 0.53408428993692 0.58216271278881 18.998 8 F 0.71907688113952 0.37017053527657 0.08924741641609 18.998 9 F 0.95192157714811 0.73928933291292 0.41783728721119 18.998 10 F 0.94736688738881 0.60552194809601 0.81179266162586 18.998 11 F 0.21907688113952 0.12982946472343 0.34890634586295 18.998 12 F 0.79372928647015 0.13557422576295 0.18820733837414 18.998 13 F 0.54807842285188 0.96591571006308 0.78736775576481 18.998 14 F 0.44736688738881 0.63557422576295 0.34184493929280 18.998 15 F 0.78092311886048 0.87017053527657 0.65109365413705 18.998 16 F 0.29372928647015 0.10552194809601 0.65815506070720 18.998 17 F 0.45192157714811 0.03408428993692 0.21263224423519 18.998 18 F 0.70627071352985 0.89447805190399 0.34184493929280 18.998 19 F 0.55263311261119 0.36442577423705 0.65815506070720 18.998 20 F 0.04807842285188 0.26071066708707 0.58216271278881 18.998 21 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 22 F 0.82145204570173 0.23928933291293 0.78736775576481 18.998 23 F 0.20627071352985 0.86442577423705 0.81179266162586 18.998 24 F 0.67854795429827 0.46591571006308 0.41783728721119 18.998 25 F 0.17854795429827 0.76071066708707 0.21263224423519 18.998 26 F 0.28092311886048 0.62982946472343 0.91075258358391 18.998 27 F 0.05263311261119 0.39447805190399 0.18820733837414 18.998 28 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.546260600000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.055890560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.956505679999999 Atomic positions (fractional): 1 Pr 0.00000000000000 0.50000000000000 0.75000000000000 140.908 > 1 2 Pr 0.50000000000000 0.50000000000000 0.75000000000000 140.908 > 1 3 Pr 0.00000000000000 0.50000000000000 0.25000000000000 140.908 > 3 4 Pr 0.50000000000000 0.50000000000000 0.25000000000000 140.908 > 3 5 Pr 0.25000000000000 0.00000000000000 0.25000000000000 140.908 > 1 6 Pr 0.75000000000000 0.00000000000000 0.25000000000000 140.908 > 1 7 Pr 0.25000000000000 0.00000000000000 0.75000000000000 140.908 > 3 8 Pr 0.75000000000000 0.00000000000000 0.75000000000000 140.908 > 3 9 Zr 0.06665582389195 0.81918779145147 0.00000000000000 91.224 > 9 10 Zr 0.56665582389195 0.81918779145147 0.00000000000000 91.224 > 9 11 Zr 0.43334417610805 0.18081220854853 0.00000000000000 91.224 > 11 12 Zr 0.93334417610805 0.18081220854853 0.00000000000000 91.224 > 11 13 Zr 0.18334417610805 0.31918779145147 0.00000000000000 91.224 > 13 14 Zr 0.68334417610805 0.31918779145147 0.00000000000000 91.224 > 13 15 Zr 0.31665582389195 0.68081220854853 0.00000000000000 91.224 > 15 16 Zr 0.81665582389195 0.68081220854853 0.00000000000000 91.224 > 15 17 Zr 0.31665582389195 0.31918779145147 0.50000000000000 91.224 > 9 18 Zr 0.81665582389195 0.31918779145147 0.50000000000000 91.224 > 9 19 Zr 0.18334417610805 0.68081220854853 0.50000000000000 91.224 > 11 20 Zr 0.68334417610805 0.68081220854853 0.50000000000000 91.224 > 11 21 Zr 0.43334417610805 0.81918779145147 0.50000000000000 91.224 > 13 22 Zr 0.93334417610805 0.81918779145147 0.50000000000000 91.224 > 13 23 Zr 0.06665582389195 0.18081220854853 0.50000000000000 91.224 > 15 24 Zr 0.56665582389195 0.18081220854853 0.50000000000000 91.224 > 15 25 F 0.19869873925600 0.18476523427681 0.13668681142492 18.998 > 25 26 F 0.69869873925600 0.18476523427681 0.13668681142492 18.998 > 25 27 F 0.18508526763829 0.71907688113952 0.00000000000000 18.998 > 27 28 F 0.68508526763829 0.71907688113952 0.00000000000000 18.998 > 27 29 F 0.30130126074400 0.81523476572319 0.13668681142492 18.998 > 29 30 F 0.80130126074400 0.81523476572319 0.13668681142492 18.998 > 29 31 F 0.11748693058327 0.57681880045933 0.37054808692948 18.998 > 31 32 F 0.61748693058327 0.57681880045933 0.37054808692948 18.998 > 31 33 F 0.06491473236171 0.21907688113952 0.00000000000000 18.998 > 33 34 F 0.56491473236171 0.21907688113952 0.00000000000000 18.998 > 33 35 F 0.38251306941673 0.42318119954067 0.37054808692948 18.998 > 35 36 F 0.88251306941673 0.42318119954067 0.37054808692948 18.998 > 35 37 F 0.05130126074400 0.68476523427681 0.86331318857508 18.998 > 37 38 F 0.55130126074400 0.68476523427681 0.86331318857508 18.998 > 37 39 F 0.38251306941673 0.57681880045933 0.87054808692948 18.998 > 39 40 F 0.88251306941673 0.57681880045933 0.87054808692948 18.998 > 39 41 F 0.43508526763829 0.78092311886048 0.00000000000000 18.998 > 41 42 F 0.93508526763829 0.78092311886048 0.00000000000000 18.998 > 41 43 F 0.11748693058327 0.42318119954067 0.87054808692948 18.998 > 43 44 F 0.61748693058327 0.42318119954067 0.87054808692948 18.998 > 43 45 F 0.44869873925600 0.31523476572319 0.13668681142492 18.998 > 45 46 F 0.94869873925600 0.31523476572319 0.13668681142492 18.998 > 45 47 F 0.38251306941673 0.57681880045933 0.12945191307052 18.998 > 47 48 F 0.88251306941673 0.57681880045933 0.12945191307052 18.998 > 47 49 F 0.11748693058327 0.42318119954067 0.12945191307052 18.998 > 49 50 F 0.61748693058327 0.42318119954067 0.12945191307052 18.998 > 49 51 F 0.19869873925600 0.18476523427681 0.86331318857508 18.998 > 51 52 F 0.69869873925600 0.18476523427681 0.86331318857508 18.998 > 51 53 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 53 54 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 > 53 55 F 0.05130126074400 0.68476523427681 0.13668681142492 18.998 > 55 56 F 0.55130126074400 0.68476523427681 0.13668681142492 18.998 > 55 57 F 0.11748693058327 0.57681880045933 0.62945191307052 18.998 > 57 58 F 0.61748693058327 0.57681880045933 0.62945191307052 18.998 > 57 59 F 0.30130126074400 0.81523476572319 0.86331318857508 18.998 > 59 60 F 0.80130126074400 0.81523476572319 0.86331318857508 18.998 > 59 61 F 0.44869873925600 0.31523476572319 0.86331318857508 18.998 > 61 62 F 0.94869873925600 0.31523476572319 0.86331318857508 18.998 > 61 63 F 0.31491473236171 0.28092311886048 0.00000000000000 18.998 > 63 64 F 0.81491473236171 0.28092311886048 0.00000000000000 18.998 > 63 65 F 0.38251306941673 0.42318119954067 0.62945191307052 18.998 > 65 66 F 0.88251306941673 0.42318119954067 0.62945191307052 18.998 > 65 67 F 0.25000000000000 0.50000000000000 0.00000000000000 18.998 > 67 68 F 0.75000000000000 0.50000000000000 0.00000000000000 18.998 > 67 69 F 0.44869873925600 0.68476523427681 0.63668681142492 18.998 > 25 70 F 0.94869873925600 0.68476523427681 0.63668681142492 18.998 > 25 71 F 0.43508526763829 0.21907688113952 0.50000000000000 18.998 > 27 72 F 0.93508526763829 0.21907688113952 0.50000000000000 18.998 > 27 73 F 0.05130126074400 0.31523476572319 0.63668681142492 18.998 > 29 74 F 0.55130126074400 0.31523476572319 0.63668681142492 18.998 > 29 75 F 0.36748693058327 0.07681880045933 0.87054808692948 18.998 > 31 76 F 0.86748693058327 0.07681880045933 0.87054808692948 18.998 > 31 77 F 0.31491473236171 0.71907688113952 0.50000000000000 18.998 > 33 78 F 0.81491473236171 0.71907688113952 0.50000000000000 18.998 > 33 79 F 0.13251306941673 0.92318119954067 0.87054808692948 18.998 > 35 80 F 0.63251306941673 0.92318119954067 0.87054808692948 18.998 > 35 81 F 0.30130126074400 0.18476523427681 0.36331318857508 18.998 > 37 82 F 0.80130126074400 0.18476523427681 0.36331318857508 18.998 > 37 83 F 0.13251306941673 0.07681880045933 0.37054808692948 18.998 > 39 84 F 0.63251306941673 0.07681880045933 0.37054808692948 18.998 > 39 85 F 0.18508526763829 0.28092311886048 0.50000000000000 18.998 > 41 86 F 0.68508526763829 0.28092311886048 0.50000000000000 18.998 > 41 87 F 0.36748693058327 0.92318119954067 0.37054808692948 18.998 > 43 88 F 0.86748693058327 0.92318119954067 0.37054808692948 18.998 > 43 89 F 0.19869873925600 0.81523476572319 0.63668681142492 18.998 > 45 90 F 0.69869873925600 0.81523476572319 0.63668681142492 18.998 > 45 91 F 0.13251306941673 0.07681880045933 0.62945191307052 18.998 > 47 92 F 0.63251306941673 0.07681880045933 0.62945191307052 18.998 > 47 93 F 0.36748693058327 0.92318119954067 0.62945191307052 18.998 > 49 94 F 0.86748693058327 0.92318119954067 0.62945191307052 18.998 > 49 95 F 0.44869873925600 0.68476523427681 0.36331318857508 18.998 > 51 96 F 0.94869873925600 0.68476523427681 0.36331318857508 18.998 > 51 97 F 0.25000000000000 0.50000000000000 0.50000000000000 18.998 > 53 98 F 0.75000000000000 0.50000000000000 0.50000000000000 18.998 > 53 99 F 0.30130126074400 0.18476523427681 0.63668681142492 18.998 > 55 100 F 0.80130126074400 0.18476523427681 0.63668681142492 18.998 > 55 101 F 0.36748693058327 0.07681880045933 0.12945191307052 18.998 > 57 102 F 0.86748693058327 0.07681880045933 0.12945191307052 18.998 > 57 103 F 0.05130126074400 0.31523476572319 0.36331318857508 18.998 > 59 104 F 0.55130126074400 0.31523476572319 0.36331318857508 18.998 > 59 105 F 0.19869873925600 0.81523476572319 0.36331318857508 18.998 > 61 106 F 0.69869873925600 0.81523476572319 0.36331318857508 18.998 > 61 107 F 0.06491473236171 0.78092311886048 0.50000000000000 18.998 > 63 108 F 0.56491473236171 0.78092311886048 0.50000000000000 18.998 > 63 109 F 0.13251306941673 0.92318119954067 0.12945191307052 18.998 > 65 110 F 0.63251306941673 0.92318119954067 0.12945191307052 18.998 > 65 111 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 67 112 F 0.50000000000000 0.00000000000000 0.50000000000000 18.998 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5031677 0.0000000 0.0000000 0.0000000 2.5091261 0.0000000 0.0000000 0.0000000 2.3819933 -------------------------- Born effective charges -------------------------- 1 Pr 4.0701649 0.0000000 0.0000000 0.0000000 4.4969451 -0.0000000 -0.0000000 -0.0000000 4.3824078 2 Pr 4.0701649 0.0000000 0.0000000 0.0000000 4.4969451 -0.0000000 -0.0000000 -0.0000000 4.3824078 3 Zr 5.4030568 0.2099916 0.0000000 0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 4 Zr 5.4030568 0.2099916 0.0000000 0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 5 Zr 5.4030568 -0.2099916 0.0000000 -0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 6 Zr 5.4030568 -0.2099916 0.0000000 -0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 7 F -0.7811539 0.3906254 -0.3136735 0.3033032 -1.6111968 0.8962053 -0.2448317 0.9422065 -1.4824723 8 F -2.5141470 0.6694319 0.0000000 0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 9 F -0.7811539 0.3906254 0.3136735 0.3033032 -1.6111968 -0.8962053 0.2448317 -0.9422065 -1.4824723 10 F -1.3715791 -0.4801293 -0.7431720 -0.5428409 -1.0821195 -0.5907074 -0.7948668 -0.5521302 -1.4320772 11 F -2.5141470 -0.6694319 0.0000000 -0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 12 F -1.3715791 -0.4801293 0.7431720 -0.5428409 -1.0821195 0.5907074 0.7948668 0.5521302 -1.4320772 13 F -0.7811539 -0.3906254 -0.3136735 -0.3033032 -1.6111968 -0.8962053 -0.2448317 -0.9422065 -1.4824723 14 F -1.3715791 0.4801293 0.7431720 0.5428409 -1.0821195 -0.5907074 0.7948668 -0.5521302 -1.4320772 15 F -2.5141470 -0.6694319 0.0000000 -0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 16 F -1.3715791 0.4801293 -0.7431720 0.5428409 -1.0821195 0.5907074 -0.7948668 0.5521302 -1.4320772 17 F -0.7811539 -0.3906254 -0.3136735 -0.3033032 -1.6111968 -0.8962053 -0.2448317 -0.9422065 -1.4824723 18 F -1.3715791 0.4801293 -0.7431720 0.5428409 -1.0821195 0.5907074 -0.7948668 0.5521302 -1.4320772 19 F -1.3715791 0.4801293 0.7431720 0.5428409 -1.0821195 -0.5907074 0.7948668 -0.5521302 -1.4320772 20 F -0.7811539 0.3906254 0.3136735 0.3033032 -1.6111968 -0.8962053 0.2448317 -0.9422065 -1.4824723 21 F -1.2370523 1.0192190 0.0000000 0.9769586 -2.3565997 -0.0000000 -0.0000000 -0.0000000 -0.4828649 22 F -0.7811539 -0.3906254 0.3136735 -0.3033032 -1.6111968 0.8962053 0.2448317 0.9422065 -1.4824723 23 F -1.3715791 -0.4801293 0.7431720 -0.5428409 -1.0821195 0.5907074 0.7948668 0.5521302 -1.4320772 24 F -0.7811539 0.3906254 -0.3136735 0.3033032 -1.6111968 0.8962053 -0.2448317 0.9422065 -1.4824723 25 F -0.7811539 -0.3906254 0.3136735 -0.3033032 -1.6111968 0.8962053 0.2448317 0.9422065 -1.4824723 26 F -2.5141470 0.6694319 0.0000000 0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 27 F -1.3715791 -0.4801293 -0.7431720 -0.5428409 -1.0821195 -0.5907074 -0.7948668 -0.5521302 -1.4320772 28 F -1.2370523 -1.0192190 0.0000000 -0.9769586 -2.3565997 -0.0000000 -0.0000000 -0.0000000 -0.4828649 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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[ 27, 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[ 31, 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:21:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:21:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.886565150000000 5.027945280000000 5.478252840000000 b 3.886565150000000 -5.027945280000000 5.478252840000000 c 3.886565150000000 5.027945280000000 -5.478252840000000 Atomic positions (fractional): 1 Pr 0.25000000000000 0.75000000000000 0.50000000000000 140.908 2 Pr 0.75000000000000 0.25000000000000 0.50000000000000 140.908 3 Zr 0.81918779145147 0.13331164778390 0.95249943923537 91.224 4 Zr 0.18081220854853 0.86668835221610 0.04750056076463 91.224 5 Zr 0.31918779145147 0.36668835221610 0.68587614366757 91.224 6 Zr 0.68081220854853 0.63331164778390 0.31412385633243 91.224 7 F 0.32145204570173 0.53408428993692 0.58216271278881 18.998 8 F 0.71907688113952 0.37017053527657 0.08924741641609 18.998 9 F 0.95192157714811 0.73928933291292 0.41783728721119 18.998 10 F 0.94736688738881 0.60552194809601 0.81179266162586 18.998 11 F 0.21907688113952 0.12982946472343 0.34890634586295 18.998 12 F 0.79372928647015 0.13557422576295 0.18820733837414 18.998 13 F 0.54807842285188 0.96591571006308 0.78736775576481 18.998 14 F 0.44736688738881 0.63557422576295 0.34184493929280 18.998 15 F 0.78092311886048 0.87017053527657 0.65109365413705 18.998 16 F 0.29372928647015 0.10552194809601 0.65815506070720 18.998 17 F 0.45192157714811 0.03408428993692 0.21263224423519 18.998 18 F 0.70627071352985 0.89447805190399 0.34184493929280 18.998 19 F 0.55263311261119 0.36442577423705 0.65815506070720 18.998 20 F 0.04807842285188 0.26071066708707 0.58216271278881 18.998 21 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 22 F 0.82145204570173 0.23928933291293 0.78736775576481 18.998 23 F 0.20627071352985 0.86442577423705 0.81179266162586 18.998 24 F 0.67854795429827 0.46591571006308 0.41783728721119 18.998 25 F 0.17854795429827 0.76071066708707 0.21263224423519 18.998 26 F 0.28092311886048 0.62982946472343 0.91075258358391 18.998 27 F 0.05263311261119 0.39447805190399 0.18820733837414 18.998 28 F 0.50000000000000 0.50000000000000 0.00000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.546260600000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.055890560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.956505679999999 Atomic positions (fractional): 1 Pr 0.00000000000000 0.50000000000000 0.75000000000000 140.908 > 1 2 Pr 0.50000000000000 0.50000000000000 0.75000000000000 140.908 > 1 3 Pr 0.00000000000000 0.50000000000000 0.25000000000000 140.908 > 3 4 Pr 0.50000000000000 0.50000000000000 0.25000000000000 140.908 > 3 5 Pr 0.25000000000000 0.00000000000000 0.25000000000000 140.908 > 1 6 Pr 0.75000000000000 0.00000000000000 0.25000000000000 140.908 > 1 7 Pr 0.25000000000000 0.00000000000000 0.75000000000000 140.908 > 3 8 Pr 0.75000000000000 0.00000000000000 0.75000000000000 140.908 > 3 9 Zr 0.06665582389195 0.81918779145147 0.00000000000000 91.224 > 9 10 Zr 0.56665582389195 0.81918779145147 0.00000000000000 91.224 > 9 11 Zr 0.43334417610805 0.18081220854853 0.00000000000000 91.224 > 11 12 Zr 0.93334417610805 0.18081220854853 0.00000000000000 91.224 > 11 13 Zr 0.18334417610805 0.31918779145147 0.00000000000000 91.224 > 13 14 Zr 0.68334417610805 0.31918779145147 0.00000000000000 91.224 > 13 15 Zr 0.31665582389195 0.68081220854853 0.00000000000000 91.224 > 15 16 Zr 0.81665582389195 0.68081220854853 0.00000000000000 91.224 > 15 17 Zr 0.31665582389195 0.31918779145147 0.50000000000000 91.224 > 9 18 Zr 0.81665582389195 0.31918779145147 0.50000000000000 91.224 > 9 19 Zr 0.18334417610805 0.68081220854853 0.50000000000000 91.224 > 11 20 Zr 0.68334417610805 0.68081220854853 0.50000000000000 91.224 > 11 21 Zr 0.43334417610805 0.81918779145147 0.50000000000000 91.224 > 13 22 Zr 0.93334417610805 0.81918779145147 0.50000000000000 91.224 > 13 23 Zr 0.06665582389195 0.18081220854853 0.50000000000000 91.224 > 15 24 Zr 0.56665582389195 0.18081220854853 0.50000000000000 91.224 > 15 25 F 0.19869873925600 0.18476523427681 0.13668681142492 18.998 > 25 26 F 0.69869873925600 0.18476523427681 0.13668681142492 18.998 > 25 27 F 0.18508526763829 0.71907688113952 0.00000000000000 18.998 > 27 28 F 0.68508526763829 0.71907688113952 0.00000000000000 18.998 > 27 29 F 0.30130126074400 0.81523476572319 0.13668681142492 18.998 > 29 30 F 0.80130126074400 0.81523476572319 0.13668681142492 18.998 > 29 31 F 0.11748693058327 0.57681880045933 0.37054808692948 18.998 > 31 32 F 0.61748693058327 0.57681880045933 0.37054808692948 18.998 > 31 33 F 0.06491473236171 0.21907688113952 0.00000000000000 18.998 > 33 34 F 0.56491473236171 0.21907688113952 0.00000000000000 18.998 > 33 35 F 0.38251306941673 0.42318119954067 0.37054808692948 18.998 > 35 36 F 0.88251306941673 0.42318119954067 0.37054808692948 18.998 > 35 37 F 0.05130126074400 0.68476523427681 0.86331318857508 18.998 > 37 38 F 0.55130126074400 0.68476523427681 0.86331318857508 18.998 > 37 39 F 0.38251306941673 0.57681880045933 0.87054808692948 18.998 > 39 40 F 0.88251306941673 0.57681880045933 0.87054808692948 18.998 > 39 41 F 0.43508526763829 0.78092311886048 0.00000000000000 18.998 > 41 42 F 0.93508526763829 0.78092311886048 0.00000000000000 18.998 > 41 43 F 0.11748693058327 0.42318119954067 0.87054808692948 18.998 > 43 44 F 0.61748693058327 0.42318119954067 0.87054808692948 18.998 > 43 45 F 0.44869873925600 0.31523476572319 0.13668681142492 18.998 > 45 46 F 0.94869873925600 0.31523476572319 0.13668681142492 18.998 > 45 47 F 0.38251306941673 0.57681880045933 0.12945191307052 18.998 > 47 48 F 0.88251306941673 0.57681880045933 0.12945191307052 18.998 > 47 49 F 0.11748693058327 0.42318119954067 0.12945191307052 18.998 > 49 50 F 0.61748693058327 0.42318119954067 0.12945191307052 18.998 > 49 51 F 0.19869873925600 0.18476523427681 0.86331318857508 18.998 > 51 52 F 0.69869873925600 0.18476523427681 0.86331318857508 18.998 > 51 53 F 0.00000000000000 0.00000000000000 0.00000000000000 18.998 > 53 54 F 0.50000000000000 0.00000000000000 0.00000000000000 18.998 > 53 55 F 0.05130126074400 0.68476523427681 0.13668681142492 18.998 > 55 56 F 0.55130126074400 0.68476523427681 0.13668681142492 18.998 > 55 57 F 0.11748693058327 0.57681880045933 0.62945191307052 18.998 > 57 58 F 0.61748693058327 0.57681880045933 0.62945191307052 18.998 > 57 59 F 0.30130126074400 0.81523476572319 0.86331318857508 18.998 > 59 60 F 0.80130126074400 0.81523476572319 0.86331318857508 18.998 > 59 61 F 0.44869873925600 0.31523476572319 0.86331318857508 18.998 > 61 62 F 0.94869873925600 0.31523476572319 0.86331318857508 18.998 > 61 63 F 0.31491473236171 0.28092311886048 0.00000000000000 18.998 > 63 64 F 0.81491473236171 0.28092311886048 0.00000000000000 18.998 > 63 65 F 0.38251306941673 0.42318119954067 0.62945191307052 18.998 > 65 66 F 0.88251306941673 0.42318119954067 0.62945191307052 18.998 > 65 67 F 0.25000000000000 0.50000000000000 0.00000000000000 18.998 > 67 68 F 0.75000000000000 0.50000000000000 0.00000000000000 18.998 > 67 69 F 0.44869873925600 0.68476523427681 0.63668681142492 18.998 > 25 70 F 0.94869873925600 0.68476523427681 0.63668681142492 18.998 > 25 71 F 0.43508526763829 0.21907688113952 0.50000000000000 18.998 > 27 72 F 0.93508526763829 0.21907688113952 0.50000000000000 18.998 > 27 73 F 0.05130126074400 0.31523476572319 0.63668681142492 18.998 > 29 74 F 0.55130126074400 0.31523476572319 0.63668681142492 18.998 > 29 75 F 0.36748693058327 0.07681880045933 0.87054808692948 18.998 > 31 76 F 0.86748693058327 0.07681880045933 0.87054808692948 18.998 > 31 77 F 0.31491473236171 0.71907688113952 0.50000000000000 18.998 > 33 78 F 0.81491473236171 0.71907688113952 0.50000000000000 18.998 > 33 79 F 0.13251306941673 0.92318119954067 0.87054808692948 18.998 > 35 80 F 0.63251306941673 0.92318119954067 0.87054808692948 18.998 > 35 81 F 0.30130126074400 0.18476523427681 0.36331318857508 18.998 > 37 82 F 0.80130126074400 0.18476523427681 0.36331318857508 18.998 > 37 83 F 0.13251306941673 0.07681880045933 0.37054808692948 18.998 > 39 84 F 0.63251306941673 0.07681880045933 0.37054808692948 18.998 > 39 85 F 0.18508526763829 0.28092311886048 0.50000000000000 18.998 > 41 86 F 0.68508526763829 0.28092311886048 0.50000000000000 18.998 > 41 87 F 0.36748693058327 0.92318119954067 0.37054808692948 18.998 > 43 88 F 0.86748693058327 0.92318119954067 0.37054808692948 18.998 > 43 89 F 0.19869873925600 0.81523476572319 0.63668681142492 18.998 > 45 90 F 0.69869873925600 0.81523476572319 0.63668681142492 18.998 > 45 91 F 0.13251306941673 0.07681880045933 0.62945191307052 18.998 > 47 92 F 0.63251306941673 0.07681880045933 0.62945191307052 18.998 > 47 93 F 0.36748693058327 0.92318119954067 0.62945191307052 18.998 > 49 94 F 0.86748693058327 0.92318119954067 0.62945191307052 18.998 > 49 95 F 0.44869873925600 0.68476523427681 0.36331318857508 18.998 > 51 96 F 0.94869873925600 0.68476523427681 0.36331318857508 18.998 > 51 97 F 0.25000000000000 0.50000000000000 0.50000000000000 18.998 > 53 98 F 0.75000000000000 0.50000000000000 0.50000000000000 18.998 > 53 99 F 0.30130126074400 0.18476523427681 0.63668681142492 18.998 > 55 100 F 0.80130126074400 0.18476523427681 0.63668681142492 18.998 > 55 101 F 0.36748693058327 0.07681880045933 0.12945191307052 18.998 > 57 102 F 0.86748693058327 0.07681880045933 0.12945191307052 18.998 > 57 103 F 0.05130126074400 0.31523476572319 0.36331318857508 18.998 > 59 104 F 0.55130126074400 0.31523476572319 0.36331318857508 18.998 > 59 105 F 0.19869873925600 0.81523476572319 0.36331318857508 18.998 > 61 106 F 0.69869873925600 0.81523476572319 0.36331318857508 18.998 > 61 107 F 0.06491473236171 0.78092311886048 0.50000000000000 18.998 > 63 108 F 0.56491473236171 0.78092311886048 0.50000000000000 18.998 > 63 109 F 0.13251306941673 0.92318119954067 0.12945191307052 18.998 > 65 110 F 0.63251306941673 0.92318119954067 0.12945191307052 18.998 > 65 111 F 0.00000000000000 0.00000000000000 0.50000000000000 18.998 > 67 112 F 0.50000000000000 0.00000000000000 0.50000000000000 18.998 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5031677 0.0000000 0.0000000 0.0000000 2.5091261 0.0000000 0.0000000 0.0000000 2.3819933 -------------------------- Born effective charges -------------------------- 1 Pr 4.0701649 0.0000000 0.0000000 0.0000000 4.4969451 -0.0000000 -0.0000000 -0.0000000 4.3824078 2 Pr 4.0701649 0.0000000 0.0000000 0.0000000 4.4969451 -0.0000000 -0.0000000 -0.0000000 4.3824078 3 Zr 5.4030568 0.2099916 0.0000000 0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 4 Zr 5.4030568 0.2099916 0.0000000 0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 5 Zr 5.4030568 -0.2099916 0.0000000 -0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 6 Zr 5.4030568 -0.2099916 0.0000000 -0.1940484 5.1606679 -0.0000000 -0.0000000 -0.0000000 4.4217159 7 F -0.7811539 0.3906254 -0.3136735 0.3033032 -1.6111968 0.8962053 -0.2448317 0.9422065 -1.4824723 8 F -2.5141470 0.6694319 0.0000000 0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 9 F -0.7811539 0.3906254 0.3136735 0.3033032 -1.6111968 -0.8962053 0.2448317 -0.9422065 -1.4824723 10 F -1.3715791 -0.4801293 -0.7431720 -0.5428409 -1.0821195 -0.5907074 -0.7948668 -0.5521302 -1.4320772 11 F -2.5141470 -0.6694319 0.0000000 -0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 12 F -1.3715791 -0.4801293 0.7431720 -0.5428409 -1.0821195 0.5907074 0.7948668 0.5521302 -1.4320772 13 F -0.7811539 -0.3906254 -0.3136735 -0.3033032 -1.6111968 -0.8962053 -0.2448317 -0.9422065 -1.4824723 14 F -1.3715791 0.4801293 0.7431720 0.5428409 -1.0821195 -0.5907074 0.7948668 -0.5521302 -1.4320772 15 F -2.5141470 -0.6694319 0.0000000 -0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 16 F -1.3715791 0.4801293 -0.7431720 0.5428409 -1.0821195 0.5907074 -0.7948668 0.5521302 -1.4320772 17 F -0.7811539 -0.3906254 -0.3136735 -0.3033032 -1.6111968 -0.8962053 -0.2448317 -0.9422065 -1.4824723 18 F -1.3715791 0.4801293 -0.7431720 0.5428409 -1.0821195 0.5907074 -0.7948668 0.5521302 -1.4320772 19 F -1.3715791 0.4801293 0.7431720 0.5428409 -1.0821195 -0.5907074 0.7948668 -0.5521302 -1.4320772 20 F -0.7811539 0.3906254 0.3136735 0.3033032 -1.6111968 -0.8962053 0.2448317 -0.9422065 -1.4824723 21 F -1.2370523 1.0192190 0.0000000 0.9769586 -2.3565997 -0.0000000 -0.0000000 -0.0000000 -0.4828649 22 F -0.7811539 -0.3906254 0.3136735 -0.3033032 -1.6111968 0.8962053 0.2448317 0.9422065 -1.4824723 23 F -1.3715791 -0.4801293 0.7431720 -0.5428409 -1.0821195 0.5907074 0.7948668 0.5521302 -1.4320772 24 F -0.7811539 0.3906254 -0.3136735 0.3033032 -1.6111968 0.8962053 -0.2448317 0.9422065 -1.4824723 25 F -0.7811539 -0.3906254 0.3136735 -0.3033032 -1.6111968 0.8962053 0.2448317 0.9422065 -1.4824723 26 F -2.5141470 0.6694319 0.0000000 0.6065325 -0.8442078 -0.0000000 -0.0000000 -0.0000000 -0.5423883 27 F -1.3715791 -0.4801293 -0.7431720 -0.5428409 -1.0821195 -0.5907074 -0.7948668 -0.5521302 -1.4320772 28 F -1.2370523 -1.0192190 0.0000000 -0.9769586 -2.3565997 -0.0000000 -0.0000000 -0.0000000 -0.4828649 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 5 60 ] Grid generation matrix: [ 0 6 6 ] [ 5 0 5 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 311, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 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 1.126 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 7.869 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 12.048 ( 0.000 0.000 0.000) 0.000 12.518 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.324 ( 0.000 0.000 0.000) 0.000 13.561 ( 0.000 0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.813 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 14.206 ( 0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 14.250 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 16.819 ( 0.000 0.000 0.000) 0.000 17.906 ( 0.000 0.000 0.000) 0.000 18.129 ( 0.000 0.000 0.000) 0.000 18.798 ( 0.000 0.000 0.000) 0.000 19.298 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.00 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.000 22.665 -12.216) 25.747 0.998 ( -0.000 28.647 -20.408) 35.173 1.324 ( -0.000 7.901 -11.674) 14.096 1.479 ( -0.000 35.405 -21.170) 41.251 1.764 ( -0.000 5.632 -4.772) 7.382 1.881 ( -0.000 17.734 -5.725) 18.635 2.261 ( -0.000 10.080 -4.203) 10.922 2.388 ( 0.000 -9.458 6.472) 11.460 2.806 ( -0.000 4.101 4.747) 6.273 2.905 ( 0.000 -6.331 7.124) 9.531 3.016 ( 0.000 -6.944 0.432) 6.958 3.054 ( -0.000 12.497 1.008) 12.538 3.103 ( 0.000 0.593 -3.460) 3.511 3.130 ( -0.000 12.849 -3.083) 13.213 3.163 ( 0.000 -5.034 -2.474) 5.609 3.268 ( 0.000 -6.410 -9.092) 11.125 3.422 ( -0.000 0.200 0.125) 0.236 3.550 ( -0.000 3.693 0.663) 3.752 3.673 ( -0.000 3.277 3.097) 4.509 3.920 ( -0.000 -1.055 4.755) 4.870 3.977 ( 0.000 -7.115 -5.873) 9.226 4.116 ( -0.000 0.578 8.164) 8.185 4.508 ( 0.000 -15.018 -15.513) 21.591 4.675 ( -0.000 5.186 -6.989) 8.703 4.711 ( 0.000 -8.488 1.812) 8.679 4.952 ( 0.000 -16.129 -3.516) 16.508 4.983 ( 0.000 -32.334 -0.429) 32.337 5.230 ( -0.000 7.121 1.839) 7.355 5.466 ( -0.000 -0.396 6.914) 6.926 5.580 ( -0.000 8.340 -4.496) 9.475 5.621 ( 0.000 -6.337 -2.017) 6.650 5.817 ( -0.000 3.411 1.746) 3.832 5.918 ( -0.000 6.585 -1.676) 6.795 6.084 ( -0.000 8.260 2.219) 8.553 6.222 ( -0.000 3.165 4.641) 5.617 6.240 ( -0.000 2.294 -3.694) 4.348 6.287 ( -0.000 8.163 -0.857) 8.208 6.420 ( 0.000 -1.899 1.692) 2.543 6.439 ( -0.000 3.320 -2.548) 4.185 6.696 ( -0.000 3.129 -2.377) 3.929 6.852 ( 0.000 0.256 -1.744) 1.763 6.933 ( -0.000 5.916 -1.774) 6.177 6.971 ( -0.000 -0.859 8.589) 8.632 7.354 ( 0.000 -4.722 7.406) 8.783 7.479 ( -0.000 1.959 -1.087) 2.240 7.676 ( 0.000 -2.413 -3.992) 4.665 7.780 ( 0.000 -1.082 1.898) 2.185 7.819 ( -0.000 1.127 5.085) 5.209 8.009 ( -0.000 12.266 9.503) 15.516 8.121 ( 0.000 -4.646 2.492) 5.272 8.218 ( -0.000 -0.322 2.376) 2.398 8.481 ( -0.000 0.485 2.186) 2.240 8.616 ( 0.000 -2.971 -7.460) 8.030 9.100 ( -0.000 -1.905 5.206) 5.544 9.161 ( 0.000 -0.062 -0.934) 0.936 9.265 ( -0.000 0.614 0.545) 0.821 9.506 ( -0.000 0.644 0.973) 1.167 9.548 ( -0.000 4.667 0.902) 4.754 9.570 ( 0.000 -0.420 -0.769) 0.876 10.127 ( 0.000 -14.303 -0.877) 14.330 10.709 ( -0.000 10.167 2.786) 10.542 10.788 ( -0.000 7.884 0.018) 7.884 12.044 ( -0.000 0.120 -0.028) 0.123 12.385 ( 0.000 -9.911 0.416) 9.920 13.051 ( 0.000 -0.929 -1.439) 1.713 13.051 ( -0.000 6.980 0.931) 7.042 13.103 ( -0.000 7.034 2.407) 7.435 13.215 ( -0.000 4.135 -2.891) 5.046 13.269 ( 0.000 -5.434 -0.695) 5.478 13.507 ( 0.000 -2.514 4.184) 4.881 13.627 ( 0.000 -0.504 -0.580) 0.768 13.821 ( 0.000 -9.864 -0.184) 9.866 13.971 ( 0.000 -4.361 -5.697) 7.174 14.136 ( -0.000 0.496 3.620) 3.654 14.191 ( 0.000 -4.170 -2.903) 5.081 14.248 ( 0.000 -0.569 0.272) 0.631 14.259 ( -0.000 5.975 -3.435) 6.892 14.685 ( 0.000 -3.663 0.706) 3.730 17.124 ( -0.000 15.927 -11.652) 19.734 17.898 ( 0.000 -3.893 -4.971) 6.314 18.065 ( -0.000 -1.319 5.153) 5.319 18.665 ( -0.000 6.872 16.406) 17.787 18.889 ( -0.000 6.141 -1.940) 6.440 19.302 ( -0.000 -0.562 2.588) 2.648 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.00 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.000 18.538 -7.780) 20.105 1.654 ( 0.000 -1.788 -1.080) 2.089 1.675 ( -0.000 6.011 -12.128) 13.536 1.921 ( -0.000 7.333 -4.191) 8.446 2.086 ( -0.000 0.287 3.310) 3.323 2.167 ( -0.000 18.945 -5.870) 19.834 2.247 ( -0.000 12.484 -2.840) 12.803 2.599 ( 0.000 -13.767 2.938) 14.077 2.636 ( 0.000 -7.796 9.981) 12.664 2.743 ( 0.000 -15.249 6.072) 16.414 2.974 ( -0.000 20.352 -8.411) 22.022 3.168 ( 0.000 -3.047 -1.323) 3.322 3.222 ( -0.000 6.492 -2.813) 7.075 3.317 ( -0.000 19.168 -3.552) 19.495 3.318 ( 0.000 -5.995 -6.737) 9.018 3.460 ( 0.000 2.377 -5.124) 5.648 3.472 ( -0.000 20.102 3.225) 20.359 3.626 ( -0.000 2.776 5.102) 5.808 3.694 ( 0.000 -4.822 -4.803) 6.806 3.825 ( 0.000 -14.916 -3.478) 15.316 3.967 ( -0.000 9.695 -4.309) 10.610 4.019 ( -0.000 2.540 6.663) 7.131 4.374 ( 0.000 -18.795 1.273) 18.838 4.478 ( -0.000 -3.332 10.337) 10.860 4.485 ( 0.000 -16.098 -10.339) 19.132 4.493 ( 0.000 -15.205 1.567) 15.285 5.010 ( -0.000 3.318 -6.898) 7.654 5.239 ( 0.000 -5.663 8.627) 10.320 5.380 ( -0.000 9.450 0.568) 9.467 5.534 ( 0.000 -7.137 -1.562) 7.306 5.813 ( -0.000 5.023 -2.968) 5.834 5.843 ( -0.000 1.599 0.338) 1.634 6.007 ( -0.000 2.791 -1.518) 3.177 6.150 ( 0.000 -1.774 3.501) 3.925 6.249 ( -0.000 9.572 1.929) 9.764 6.282 ( 0.000 -2.551 3.167) 4.067 6.304 ( -0.000 0.119 3.600) 3.602 6.431 ( 0.000 -7.715 -0.567) 7.736 6.476 ( -0.000 6.564 -10.365) 12.269 6.781 ( 0.000 -4.562 6.359) 7.826 6.920 ( -0.000 4.631 -6.029) 7.602 6.997 ( 0.000 0.578 -1.828) 1.917 7.127 ( -0.000 12.429 -0.811) 12.456 7.199 ( 0.000 0.804 -2.291) 2.429 7.513 ( 0.000 -0.958 -0.464) 1.065 7.613 ( 0.000 -6.109 3.317) 6.951 7.745 ( -0.000 0.843 0.886) 1.223 7.772 ( 0.000 -1.219 0.213) 1.238 7.944 ( 0.000 -4.977 2.746) 5.685 7.958 ( 0.000 -3.959 5.116) 6.469 8.235 ( -0.000 9.279 0.566) 9.296 8.409 ( 0.000 -3.467 3.230) 4.739 8.748 ( 0.000 0.151 -8.859) 8.860 8.929 ( -0.000 -2.256 8.016) 8.328 9.197 ( 0.000 -0.067 -3.304) 3.305 9.254 ( -0.000 -0.028 1.984) 1.985 9.514 ( -0.000 2.302 1.284) 2.636 9.549 ( 0.000 -2.515 -0.458) 2.556 9.687 ( -0.000 11.173 2.272) 11.401 9.882 ( 0.000 -13.559 -3.153) 13.921 10.847 ( -0.000 5.259 0.230) 5.264 10.885 ( -0.000 1.994 0.596) 2.081 12.078 ( -0.000 3.335 -0.306) 3.349 12.194 ( 0.000 -7.847 0.200) 7.849 13.062 ( -0.000 0.866 0.055) 0.868 13.092 ( 0.000 -0.668 1.277) 1.442 13.148 ( -0.000 3.500 2.162) 4.114 13.191 ( 0.000 -3.881 -1.333) 4.104 13.460 ( -0.000 5.864 2.626) 6.425 13.461 ( -0.000 10.702 -2.210) 10.928 13.648 ( 0.000 -5.870 -0.472) 5.889 13.679 ( 0.000 -2.468 -5.255) 5.805 13.923 ( 0.000 -3.859 0.956) 3.976 13.968 ( 0.000 -5.896 6.001) 8.412 14.210 ( 0.000 -2.643 -6.165) 6.708 14.251 ( -0.000 2.557 3.120) 4.034 14.429 ( -0.000 5.396 -2.574) 5.978 14.570 ( 0.000 -5.052 1.665) 5.319 17.651 ( -0.000 14.159 -6.698) 15.663 17.909 ( 0.000 -3.936 5.850) 7.051 18.023 ( 0.000 1.406 -14.364) 14.433 18.401 ( -0.000 -5.637 13.704) 14.818 19.062 ( -0.000 6.706 -2.114) 7.031 19.212 ( 0.000 -4.445 1.851) 4.815 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.02 0.18 -0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 24.984 0.000 15.574) 29.441 0.959 ( 24.204 0.000 12.799) 27.380 1.260 ( -13.856 -0.000 9.935) 17.049 1.285 ( 4.854 0.000 18.467) 19.094 1.717 ( 45.444 0.000 22.872) 50.875 2.105 ( 17.081 0.000 3.455) 17.427 2.300 ( 11.651 0.000 0.460) 11.660 2.402 ( -13.675 -0.000 1.162) 13.725 2.607 ( -8.956 -0.000 -6.881) 11.294 2.823 ( -2.120 -0.000 3.027) 3.696 2.845 ( -2.873 -0.000 -3.012) 4.163 3.022 ( 4.327 0.000 -4.110) 5.968 3.102 ( -0.215 -0.000 0.181) 0.282 3.221 ( 7.329 0.000 0.672) 7.360 3.284 ( 2.307 0.000 -4.754) 5.284 3.331 ( -5.731 -0.000 4.048) 7.017 3.457 ( 10.532 0.000 1.744) 10.676 3.708 ( 4.932 0.000 -7.316) 8.823 3.726 ( 15.921 0.000 1.614) 16.003 3.918 ( 4.037 0.000 -4.935) 6.376 4.170 ( 4.126 0.000 14.257) 14.842 4.186 ( 5.185 0.000 -6.172) 8.061 4.501 ( -18.139 -0.000 18.023) 25.571 4.584 ( -2.199 -0.000 2.163) 3.084 4.779 ( -2.164 -0.000 -3.822) 4.392 4.854 ( -17.173 -0.000 2.536) 17.360 4.974 ( -5.458 -0.000 3.630) 6.555 5.129 ( -2.263 -0.000 -1.777) 2.877 5.380 ( -5.829 -0.000 7.327) 9.363 5.455 ( -11.176 -0.000 -5.218) 12.334 5.593 ( -8.167 -0.000 2.507) 8.543 5.803 ( 17.246 0.000 1.052) 17.278 5.937 ( -4.550 -0.000 -1.753) 4.876 6.040 ( 0.164 0.000 5.565) 5.567 6.228 ( -13.843 -0.000 4.069) 14.429 6.286 ( 4.393 0.000 -2.613) 5.112 6.319 ( 1.055 -0.000 -4.723) 4.840 6.380 ( 0.427 0.000 2.013) 2.058 6.428 ( -5.381 -0.000 1.231) 5.520 6.519 ( 13.943 0.000 7.573) 15.867 6.762 ( 0.799 0.000 -0.975) 1.261 6.851 ( -2.263 -0.000 0.807) 2.402 7.351 ( -3.854 -0.000 -10.089) 10.800 7.532 ( -9.006 -0.000 -3.216) 9.563 7.550 ( 15.397 0.000 -11.599) 19.277 7.704 ( -2.472 -0.000 -1.357) 2.820 7.778 ( 18.230 0.000 -0.885) 18.251 8.017 ( -3.319 -0.000 -5.331) 6.279 8.057 ( 9.291 0.000 -10.741) 14.201 8.101 ( 0.155 -0.000 -7.628) 7.629 8.144 ( 6.698 0.000 -0.388) 6.710 8.588 ( 4.297 0.000 1.749) 4.640 8.843 ( 16.908 0.000 -9.262) 19.279 9.055 ( -7.207 -0.000 1.364) 7.335 9.130 ( 0.884 -0.000 -4.649) 4.732 9.258 ( -0.040 -0.000 -0.358) 0.360 9.444 ( -5.349 -0.000 -0.713) 5.396 9.537 ( -3.254 -0.000 1.051) 3.419 9.557 ( 3.279 0.000 -0.152) 3.283 10.387 ( 5.926 0.000 -1.544) 6.124 10.477 ( -9.245 -0.000 1.312) 9.337 10.671 ( 1.700 0.000 0.439) 1.756 12.025 ( -1.630 -0.000 -0.092) 1.633 12.451 ( -6.092 -0.000 -1.943) 6.395 12.972 ( 1.581 0.000 -0.658) 1.712 13.049 ( -1.030 -0.000 1.500) 1.820 13.080 ( 4.232 0.000 -1.227) 4.406 13.159 ( -1.773 -0.000 1.024) 2.047 13.327 ( -0.696 -0.000 1.362) 1.529 13.559 ( 1.483 0.000 -4.473) 4.712 13.639 ( 0.782 -0.000 -3.001) 3.101 13.916 ( -8.275 -0.000 0.542) 8.293 13.921 ( -1.487 -0.000 -1.193) 1.907 14.128 ( -15.117 -0.000 15.730) 21.816 14.185 ( 1.575 0.000 -0.654) 1.705 14.188 ( -0.332 -0.000 -3.591) 3.607 14.224 ( -2.314 -0.000 1.423) 2.716 14.409 ( -1.088 -0.000 2.979) 3.172 17.058 ( 8.924 0.000 13.061) 15.819 17.802 ( -5.668 -0.000 5.660) 8.010 18.382 ( 13.220 0.000 2.128) 13.390 18.781 ( -3.872 -0.000 2.058) 4.385 18.819 ( 17.895 0.000 -25.374) 31.050 19.312 ( 0.354 0.000 0.647) 0.737 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.02 -0.02 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 21.379 18.859 -0.000) 28.509 0.993 ( 24.100 21.262 -0.000) 32.138 1.203 ( 1.858 9.125 -0.000) 9.312 1.429 ( -14.897 17.900 -0.000) 23.288 1.917 ( 46.035 37.105 -0.000) 59.127 2.046 ( 3.587 -3.671 0.000) 5.133 2.198 ( 0.756 2.052 -0.000) 2.187 2.545 ( 7.326 3.508 0.000) 8.123 2.707 ( -10.148 2.190 -0.000) 10.381 2.804 ( -2.808 2.454 -0.000) 3.729 2.971 ( -4.868 2.993 -0.000) 5.714 3.057 ( -0.992 -4.176 0.000) 4.292 3.100 ( 3.968 3.370 -0.000) 5.206 3.130 ( 1.324 -3.295 0.000) 3.551 3.188 ( 5.901 6.604 -0.000) 8.857 3.395 ( 11.413 -5.662 0.000) 12.740 3.497 ( 1.084 3.227 -0.000) 3.404 3.608 ( 2.358 -7.333 0.000) 7.703 3.783 ( 14.368 -1.591 0.000) 14.455 4.007 ( 10.262 0.654 0.000) 10.283 4.078 ( 6.708 2.972 0.000) 7.337 4.248 ( -1.981 3.618 -0.000) 4.124 4.276 ( -2.787 1.904 -0.000) 3.376 4.453 ( -13.392 -22.669 0.000) 26.329 4.592 ( 2.159 3.809 -0.000) 4.378 4.808 ( -1.409 -11.298 0.000) 11.385 5.080 ( -9.076 1.261 -0.000) 9.163 5.221 ( -4.382 6.775 -0.000) 8.069 5.328 ( -5.554 1.163 -0.000) 5.674 5.472 ( -10.288 -5.958 0.000) 11.889 5.493 ( -1.426 1.045 -0.000) 1.768 5.857 ( 9.816 5.015 0.000) 11.023 6.015 ( 1.696 4.871 -0.000) 5.158 6.027 ( -6.567 6.197 -0.000) 9.029 6.117 ( -9.043 -3.674 -0.000) 9.761 6.293 ( -7.260 -3.359 -0.000) 7.999 6.328 ( 0.979 -0.953 0.000) 1.366 6.389 ( 1.383 -1.850 0.000) 2.309 6.456 ( -7.649 6.069 -0.000) 9.765 6.608 ( 16.002 14.296 -0.000) 21.458 6.820 ( -3.484 -1.981 0.000) 4.008 6.859 ( 1.830 7.765 -0.000) 7.977 7.294 ( -0.992 -14.433 0.000) 14.467 7.496 ( -4.879 -4.521 0.000) 6.651 7.503 ( 3.645 -14.659 0.000) 15.105 7.662 ( 6.529 1.428 0.000) 6.683 7.829 ( 9.762 3.316 0.000) 10.309 7.988 ( -12.715 -4.946 -0.000) 13.643 8.088 ( 11.085 -5.210 0.000) 12.248 8.122 ( -9.415 0.226 -0.000) 9.418 8.441 ( 10.488 3.216 0.000) 10.970 8.506 ( 1.687 -2.964 0.000) 3.411 8.757 ( 17.176 -14.640 0.000) 22.569 9.091 ( -5.653 1.445 -0.000) 5.835 9.134 ( -1.207 -1.553 0.000) 1.966 9.283 ( 0.873 0.554 -0.000) 1.034 9.449 ( -5.834 -0.011 -0.000) 5.834 9.546 ( -1.889 1.504 -0.000) 2.415 9.592 ( 3.881 4.149 -0.000) 5.681 10.184 ( 3.758 -14.163 0.000) 14.653 10.642 ( -6.570 9.149 -0.000) 11.264 10.808 ( -1.450 7.743 -0.000) 7.877 12.029 ( -1.135 0.529 -0.000) 1.253 12.377 ( -3.042 -8.865 0.000) 9.373 13.006 ( -0.134 0.405 -0.000) 0.427 13.045 ( -0.030 5.462 -0.000) 5.462 13.142 ( -2.251 -0.600 -0.000) 2.329 13.194 ( 3.549 9.448 -0.000) 10.092 13.282 ( 1.001 -2.656 0.000) 2.839 13.543 ( 0.086 -3.499 0.000) 3.500 13.650 ( 1.570 -4.001 0.000) 4.298 13.792 ( -1.996 -7.742 0.000) 7.996 13.813 ( -0.197 -0.473 0.000) 0.512 14.003 ( -5.880 4.074 -0.000) 7.153 14.046 ( -6.864 -5.903 0.000) 9.053 14.363 ( 4.815 5.204 -0.000) 7.090 14.378 ( 4.330 0.291 0.000) 4.340 14.422 ( -13.521 7.537 -0.000) 15.479 17.075 ( 6.254 14.351 -0.000) 15.655 17.744 ( -3.436 0.092 -0.000) 3.437 18.299 ( 12.189 -5.490 0.000) 13.368 18.849 ( -2.311 7.775 -0.000) 8.111 19.079 ( 7.054 -7.393 0.000) 10.218 19.290 ( -3.879 -2.044 -0.000) 4.384 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.02 -0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 12.059 15.916 -4.413) 20.450 1.471 ( 2.198 13.753 -4.190) 14.544 1.611 ( -1.257 22.358 -5.875) 23.151 1.835 ( -4.666 12.818 1.388) 13.711 2.038 ( -1.743 2.292 -4.608) 5.433 2.300 ( 5.377 9.004 0.998) 10.535 2.422 ( 1.500 5.717 10.571) 12.111 2.579 ( 10.080 2.502 0.496) 10.398 2.739 ( 1.817 -7.734 -1.060) 8.015 2.930 ( 1.154 4.487 1.011) 4.742 2.965 ( 8.037 8.713 -3.666) 12.408 2.990 ( -4.185 -4.155 -3.592) 6.906 3.090 ( -3.117 3.138 -6.668) 8.001 3.260 ( 2.201 -1.232 0.808) 2.648 3.304 ( 6.164 -1.352 -1.968) 6.610 3.457 ( 2.395 20.507 -1.521) 20.703 3.519 ( 3.096 2.239 -0.268) 3.830 3.625 ( -0.558 8.883 -1.871) 9.095 3.746 ( 9.333 -12.473 -0.742) 15.596 3.852 ( 6.839 -10.998 0.471) 12.960 4.025 ( 6.742 -0.348 -2.041) 7.053 4.119 ( 0.357 -8.075 -0.363) 8.091 4.315 ( 0.892 7.980 6.665) 10.435 4.344 ( -1.949 -1.516 -0.428) 2.506 4.540 ( 0.048 -9.942 2.000) 10.141 4.756 ( 5.250 -13.553 1.138) 14.579 4.855 ( 2.357 -0.296 -10.345) 10.614 5.253 ( -8.218 -6.289 1.502) 10.457 5.388 ( -3.959 7.425 4.105) 9.363 5.436 ( -7.672 5.380 0.820) 9.407 5.654 ( -7.343 7.669 -1.596) 10.737 5.929 ( 8.513 1.372 -0.022) 8.622 6.087 ( -9.441 -4.390 -4.789) 11.460 6.133 ( -5.762 3.015 3.388) 7.333 6.157 ( 5.814 0.944 0.376) 5.902 6.188 ( -9.637 0.599 -0.583) 9.673 6.293 ( -0.388 -0.313 0.153) 0.521 6.385 ( -0.279 2.338 -2.098) 3.154 6.610 ( -0.954 5.174 1.105) 5.376 6.778 ( -6.674 -2.234 0.472) 7.054 6.818 ( 6.132 -6.122 2.886) 9.133 6.994 ( 6.279 9.381 0.617) 11.306 7.093 ( -0.402 10.295 1.423) 10.401 7.157 ( -3.942 -10.170 3.010) 11.315 7.471 ( -0.985 -3.276 -4.362) 5.543 7.621 ( -2.416 -3.625 4.422) 6.207 7.816 ( -8.466 -6.115 2.162) 10.665 7.896 ( 7.386 1.128 -1.017) 7.541 8.002 ( -0.575 -2.831 4.917) 5.703 8.005 ( 3.827 -3.811 1.999) 5.759 8.381 ( 9.445 2.620 1.212) 9.876 8.565 ( 8.940 -7.108 -2.418) 11.674 8.644 ( 6.516 1.294 -4.747) 8.165 9.065 ( 0.461 -1.705 3.856) 4.241 9.138 ( -1.008 1.131 -2.413) 2.849 9.284 ( 1.003 0.372 0.672) 1.263 9.453 ( -6.166 -0.106 -0.489) 6.186 9.545 ( -1.229 0.153 2.233) 2.553 9.744 ( 2.829 10.418 0.628) 10.814 9.908 ( 5.778 -12.075 -0.455) 13.394 10.785 ( -5.914 4.815 0.043) 7.626 10.872 ( -3.457 0.909 1.750) 3.980 12.064 ( -0.746 2.812 -0.413) 2.939 12.197 ( -0.151 -6.959 0.695) 6.995 13.035 ( -1.202 -0.646 -2.234) 2.618 13.119 ( 0.095 0.286 1.294) 1.329 13.138 ( -1.297 0.559 -0.376) 1.461 13.224 ( 1.843 -0.546 1.320) 2.332 13.396 ( -2.131 4.903 -0.932) 5.427 13.461 ( -2.935 -0.775 0.818) 3.144 13.597 ( 0.259 -1.156 -1.949) 2.280 13.686 ( 3.988 0.220 0.025) 3.994 13.878 ( -2.535 -4.003 -5.148) 6.997 14.003 ( -3.113 -0.898 -0.611) 3.298 14.054 ( -3.893 -1.088 -3.089) 5.088 14.365 ( 5.831 -2.540 1.263) 6.485 14.370 ( -1.651 0.747 0.328) 1.841 14.466 ( -8.768 -0.411 1.275) 8.870 17.526 ( -1.436 21.199 -4.814) 21.787 17.777 ( 0.353 -0.558 -4.335) 4.385 18.167 ( 12.429 -7.969 -1.278) 14.819 18.787 ( 7.856 -4.589 13.630) 16.387 19.033 ( -0.499 8.793 -0.253) 8.811 19.207 ( -4.424 -3.878 1.871) 6.173 ======================= Grid point 8 (7/63) ======================= q-point: ( 0.02 0.58 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.150 0.487 5.191) 5.339 1.666 ( 7.055 -1.542 11.388) 13.485 1.800 ( -3.293 7.771 -3.412) 9.103 1.892 ( 1.063 7.487 0.252) 7.566 2.240 ( -2.139 -14.177 8.931) 16.891 2.268 ( -0.119 -9.054 4.375) 10.056 2.388 ( 1.226 9.627 0.090) 9.705 2.480 ( 9.554 3.989 0.204) 10.355 2.726 ( 3.175 5.588 2.384) 6.855 2.778 ( 7.250 1.459 -1.678) 7.583 3.038 ( 0.827 1.352 -3.159) 3.534 3.118 ( -1.520 -3.421 2.642) 4.582 3.163 ( -1.900 -8.689 -0.850) 8.935 3.237 ( -4.189 -0.759 -0.804) 4.333 3.380 ( -1.286 -9.809 -3.439) 10.474 3.538 ( 5.961 -0.198 -3.684) 7.010 3.576 ( 3.366 -4.395 -4.833) 7.348 3.650 ( 5.930 3.911 4.569) 8.446 3.782 ( 9.700 -11.791 2.671) 15.500 3.957 ( 6.968 3.698 6.186) 10.025 3.984 ( -0.744 6.940 2.508) 7.417 4.064 ( -4.532 7.797 -7.107) 11.482 4.200 ( 3.581 0.899 2.542) 4.483 4.390 ( -1.033 8.404 0.967) 8.522 4.525 ( 7.439 5.880 -4.274) 10.401 4.695 ( -0.273 14.034 2.460) 14.251 5.036 ( -3.390 -1.743 -6.375) 7.428 5.088 ( -0.940 -6.411 -2.153) 6.827 5.415 ( -1.827 1.645 7.922) 8.295 5.492 ( -7.791 8.397 4.080) 12.160 5.807 ( -5.529 -3.625 2.494) 7.066 5.852 ( -1.188 2.905 -0.315) 3.154 6.035 ( 1.713 -4.517 -2.708) 5.538 6.103 ( 0.698 -1.635 1.283) 2.192 6.167 ( -3.683 -2.769 -0.944) 4.703 6.193 ( 2.062 1.330 -3.552) 4.317 6.327 ( -3.809 -0.409 -2.576) 4.617 6.475 ( 3.433 1.212 6.992) 7.883 6.634 ( -1.593 -0.584 3.229) 3.648 6.660 ( -1.753 2.995 -2.572) 4.319 6.794 ( -12.478 -3.849 -2.332) 13.265 6.890 ( -5.973 1.775 1.227) 6.351 7.139 ( 0.082 -5.215 2.472) 5.772 7.260 ( -1.225 1.094 4.074) 4.393 7.452 ( -4.328 -1.645 -1.980) 5.035 7.569 ( -1.939 5.926 1.015) 6.318 7.763 ( -4.838 1.658 -4.506) 6.816 7.845 ( -1.838 0.792 3.575) 4.097 7.941 ( 9.893 -0.193 -2.768) 10.275 7.972 ( 12.370 0.782 1.490) 12.484 8.372 ( 10.027 -11.891 -0.233) 15.556 8.468 ( 9.693 1.677 -3.632) 10.486 8.808 ( 3.668 0.850 -8.980) 9.737 8.936 ( 3.191 -0.847 6.875) 7.626 9.212 ( 0.428 0.930 -2.391) 2.601 9.259 ( 0.096 -0.309 2.772) 2.791 9.443 ( -4.266 -2.609 -1.435) 5.203 9.514 ( -4.038 1.555 1.458) 4.566 9.694 ( 4.142 -9.459 -1.720) 10.469 9.980 ( 3.692 13.496 2.806) 14.271 10.799 ( -5.399 -5.461 0.840) 7.725 10.825 ( -4.118 -1.213 -0.604) 4.335 12.074 ( -0.597 -3.431 -0.158) 3.487 12.178 ( -1.012 6.586 -0.007) 6.664 13.051 ( -0.326 -1.364 -1.843) 2.316 13.084 ( 0.962 -0.930 0.237) 1.359 13.129 ( 1.186 -3.229 -1.251) 3.661 13.218 ( -0.151 3.421 2.032) 3.982 13.370 ( -3.076 -5.806 -2.302) 6.962 13.425 ( -3.943 -6.582 -1.308) 7.784 13.654 ( 0.398 4.025 -0.301) 4.056 13.798 ( 1.374 2.896 5.386) 6.268 13.862 ( -0.550 0.900 -3.297) 3.462 13.949 ( 1.570 4.339 1.044) 4.731 14.157 ( 0.896 -3.107 -8.762) 9.340 14.293 ( 1.883 -1.524 1.329) 2.763 14.377 ( -6.714 -3.226 -1.248) 7.553 14.434 ( -8.674 2.019 1.321) 9.003 17.756 ( 1.811 -3.946 3.043) 5.302 17.862 ( 1.378 4.355 1.632) 4.851 18.229 ( 4.677 5.200 -10.823) 12.886 18.456 ( 10.913 -1.793 12.701) 16.841 19.068 ( -4.111 -5.690 2.160) 7.344 19.197 ( -0.060 7.098 0.749) 7.138 ======================= Grid point 9 (8/63) ======================= q-point: ( 0.02 0.38 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 17.269 -3.900 17.840) 25.134 1.351 ( -1.984 -9.494 12.608) 15.907 1.559 ( -1.106 -8.316 18.219) 20.057 1.829 ( 1.747 -7.867 17.545) 19.307 2.075 ( 6.183 -1.964 2.093) 6.817 2.176 ( 7.379 1.426 2.000) 7.777 2.249 ( 6.187 1.490 -6.348) 8.988 2.579 ( -2.791 -1.534 2.927) 4.325 2.651 ( 12.808 -15.683 9.439) 22.341 2.858 ( 0.888 -4.649 -0.690) 4.783 2.913 ( -2.609 -1.835 0.603) 3.246 3.053 ( 2.192 -9.359 -3.332) 10.173 3.095 ( -0.638 -1.222 -1.076) 1.748 3.146 ( 4.979 -2.059 2.850) 6.095 3.254 ( 1.747 2.127 -1.315) 3.050 3.410 ( -2.327 3.148 4.894) 6.267 3.510 ( 8.853 -2.886 0.379) 9.319 3.522 ( 4.047 -1.443 -1.032) 4.419 3.824 ( 4.115 -5.046 -5.471) 8.505 3.939 ( 8.781 0.849 2.816) 9.260 3.986 ( 10.741 2.244 -4.896) 12.016 4.283 ( 5.667 10.052 7.827) 13.943 4.408 ( -14.234 16.113 -1.993) 21.591 4.613 ( -9.017 9.870 9.629) 16.475 4.682 ( -2.333 4.694 -3.916) 6.543 4.917 ( -4.608 6.279 3.452) 8.519 5.018 ( -7.597 -2.751 -4.086) 9.055 5.117 ( -5.310 -3.615 -2.877) 7.039 5.359 ( -3.801 3.181 -0.206) 4.961 5.535 ( -4.191 5.188 7.684) 10.175 5.609 ( -6.495 -1.627 5.073) 8.400 5.881 ( 8.889 -4.694 1.492) 10.163 5.951 ( -4.845 -4.437 -2.409) 6.997 6.147 ( 11.058 2.057 -1.164) 11.308 6.155 ( -8.613 -0.679 -0.084) 8.640 6.229 ( -1.455 -0.014 -1.411) 2.027 6.310 ( -1.218 1.439 3.314) 3.813 6.425 ( -1.244 0.488 4.406) 4.604 6.496 ( -4.130 -3.405 -1.762) 5.635 6.749 ( 2.581 -4.353 1.428) 5.258 6.825 ( -0.390 -6.240 -3.002) 6.935 6.849 ( -5.585 -0.832 2.656) 6.240 7.058 ( 12.129 4.220 -3.484) 13.306 7.175 ( -3.943 4.557 -4.482) 7.510 7.561 ( -6.507 0.564 -3.069) 7.216 7.630 ( 3.584 3.697 -0.151) 5.151 7.850 ( -0.967 -1.394 -4.840) 5.129 7.889 ( 10.781 -2.258 2.264) 11.245 7.969 ( 1.965 3.825 -2.779) 5.120 8.029 ( 2.843 1.890 -2.396) 4.171 8.189 ( 6.782 -7.023 -2.660) 10.119 8.572 ( 10.189 0.083 -4.409) 11.102 8.799 ( 4.712 1.986 6.980) 8.653 8.991 ( 1.660 1.105 -7.944) 8.190 9.150 ( -3.540 -3.700 2.900) 5.885 9.257 ( 0.844 -0.229 -0.791) 1.179 9.436 ( -4.538 -1.226 -1.513) 4.938 9.528 ( -2.004 0.860 -0.027) 2.181 9.586 ( 1.907 -2.705 0.129) 3.312 10.197 ( 3.506 12.259 1.299) 12.816 10.640 ( -5.631 -8.693 0.575) 10.373 10.763 ( -1.368 -5.728 -0.469) 5.908 12.031 ( -1.034 -0.901 0.110) 1.375 12.336 ( -3.665 7.366 -1.018) 8.290 13.023 ( -0.256 -5.038 -0.165) 5.047 13.057 ( 0.334 -0.216 -0.585) 0.707 13.096 ( 2.443 -3.458 -2.434) 4.884 13.226 ( -2.346 -3.238 1.902) 4.428 13.311 ( 1.603 1.715 0.707) 2.452 13.398 ( -0.591 1.000 -6.270) 6.376 13.665 ( 0.959 -2.316 2.828) 3.779 13.791 ( -2.679 7.695 0.127) 8.149 13.929 ( -3.869 -0.921 -2.702) 4.809 14.095 ( 1.615 6.409 1.207) 6.719 14.162 ( -0.768 -3.948 -1.853) 4.428 14.262 ( -1.579 -1.985 0.511) 2.587 14.332 ( -0.340 -3.928 -2.877) 4.881 14.463 ( -12.207 1.923 2.189) 12.550 17.431 ( 4.429 -7.451 15.324) 17.606 17.879 ( -1.488 0.226 2.761) 3.144 18.323 ( 21.182 2.799 -1.102) 21.395 18.533 ( 0.749 2.572 -8.408) 8.824 18.902 ( -3.717 -5.673 2.934) 7.389 19.291 ( 0.253 3.731 0.932) 3.854 ======================= Grid point 10 (9/63) ======================= q-point: ( 0.03 0.37 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.747 0.000 8.679) 8.711 1.369 ( 2.066 0.000 9.385) 9.610 1.649 ( 8.668 0.000 16.036) 18.229 1.938 ( 10.185 0.000 10.309) 14.492 2.141 ( 1.515 -0.000 -5.075) 5.296 2.152 ( -17.503 -0.000 7.706) 19.124 2.381 ( 8.405 0.000 -2.125) 8.669 2.503 ( 11.485 0.000 -3.792) 12.095 2.784 ( 3.475 0.000 -3.488) 4.924 2.848 ( -0.701 -0.000 1.214) 1.402 2.920 ( 6.014 0.000 8.909) 10.749 3.007 ( -6.358 -0.000 -1.269) 6.483 3.229 ( 5.755 0.000 -1.039) 5.848 3.357 ( 25.194 0.000 12.655) 28.194 3.441 ( 8.828 0.000 2.094) 9.073 3.448 ( 8.281 0.000 -1.085) 8.352 3.521 ( 1.814 -0.000 -7.671) 7.882 3.821 ( 11.984 0.000 2.608) 12.265 3.915 ( 14.780 0.000 1.228) 14.831 4.145 ( 1.592 -0.000 -8.640) 8.785 4.281 ( 6.678 0.000 0.181) 6.681 4.287 ( -9.114 -0.000 1.105) 9.180 4.312 ( -6.388 -0.000 -0.143) 6.389 4.473 ( -8.135 -0.000 12.031) 14.523 4.726 ( -3.681 -0.000 1.970) 4.175 4.770 ( 3.268 0.000 -6.898) 7.633 4.848 ( -11.430 -0.000 -0.475) 11.440 5.037 ( -2.653 -0.000 -0.695) 2.742 5.069 ( -8.519 -0.000 -5.574) 10.180 5.370 ( -10.884 -0.000 9.512) 14.455 5.507 ( -2.945 -0.000 2.887) 4.124 5.789 ( -7.043 -0.000 0.485) 7.059 5.933 ( -8.968 -0.000 2.815) 9.400 5.947 ( -10.507 -0.000 2.042) 10.704 6.142 ( 1.760 0.000 -0.397) 1.804 6.233 ( -9.567 -0.000 2.958) 10.014 6.403 ( 5.465 0.000 5.987) 8.106 6.413 ( 4.111 0.000 -1.304) 4.313 6.443 ( 6.471 0.000 4.717) 8.008 6.731 ( -4.672 -0.000 -3.573) 5.882 6.737 ( 1.151 0.000 -1.902) 2.223 6.938 ( 0.964 -0.000 -13.391) 13.426 7.191 ( 9.455 0.000 0.520) 9.469 7.421 ( -4.294 -0.000 0.852) 4.378 7.476 ( -5.053 -0.000 -2.248) 5.530 7.668 ( 9.693 0.000 -8.268) 12.740 7.890 ( -5.487 -0.000 0.619) 5.522 7.897 ( -1.201 -0.000 0.645) 1.363 8.103 ( 3.754 0.000 3.328) 5.017 8.219 ( 18.869 0.000 -2.516) 19.036 8.239 ( 5.105 0.000 -5.951) 7.840 8.777 ( 10.215 0.000 0.551) 10.230 8.916 ( -10.776 -0.000 2.860) 11.149 9.043 ( 10.559 0.000 -1.085) 10.615 9.099 ( 6.577 0.000 -5.571) 8.619 9.248 ( -3.237 -0.000 0.768) 3.327 9.264 ( -7.730 -0.000 -1.272) 7.834 9.451 ( -6.405 -0.000 0.439) 6.420 9.668 ( 7.891 0.000 -0.973) 7.950 10.215 ( -17.127 -0.000 2.757) 17.348 10.509 ( 7.046 0.000 -0.796) 7.091 10.702 ( -0.255 -0.000 -0.290) 0.386 12.009 ( 0.855 0.000 0.328) 0.916 12.260 ( -8.292 -0.000 -1.156) 8.372 12.998 ( 2.048 0.000 -0.629) 2.142 13.048 ( -0.529 -0.000 0.365) 0.643 13.128 ( 2.614 0.000 -2.252) 3.450 13.147 ( -1.446 -0.000 1.567) 2.132 13.356 ( -0.493 0.000 3.454) 3.489 13.426 ( 0.699 -0.000 -8.773) 8.800 13.672 ( 1.502 0.000 1.475) 2.105 13.765 ( -5.703 -0.000 0.182) 5.706 13.848 ( -1.381 -0.000 -1.930) 2.373 14.001 ( -8.065 -0.000 0.838) 8.108 14.167 ( -1.803 -0.000 1.792) 2.542 14.185 ( -1.257 -0.000 -0.748) 1.462 14.260 ( 3.750 0.000 0.748) 3.824 14.401 ( -1.867 -0.000 -0.049) 1.867 17.547 ( 10.459 0.000 14.197) 17.634 17.876 ( 1.112 0.000 4.422) 4.560 18.497 ( -1.397 -0.000 -3.946) 4.186 18.683 ( -8.694 -0.000 1.852) 8.889 18.900 ( 20.603 0.000 -9.880) 22.849 19.309 ( -3.364 -0.000 1.863) 3.845 ======================= Grid point 11 (10/63) ======================= q-point: ( 0.03 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -4.122 15.298 8.461) 17.961 1.317 ( 5.475 12.183 9.058) 16.138 1.565 ( 19.761 3.967 2.740) 20.340 1.743 ( 25.412 1.994 11.561) 27.989 1.948 ( -7.115 -1.533 5.006) 8.834 2.303 ( 7.142 6.287 -4.391) 10.479 2.404 ( -2.921 -4.292 -10.494) 11.708 2.710 ( 9.417 8.174 -4.598) 13.291 2.775 ( -5.241 -0.687 0.331) 5.296 2.875 ( 8.274 13.324 11.601) 19.508 2.903 ( 4.985 2.924 -1.231) 5.909 3.019 ( -5.978 -2.375 -1.762) 6.670 3.084 ( -1.597 -5.377 5.110) 7.587 3.270 ( 12.614 2.050 2.356) 12.995 3.369 ( 6.942 1.329 3.000) 7.678 3.461 ( 8.400 -5.829 -4.737) 11.269 3.688 ( 11.196 -0.255 1.193) 11.262 3.775 ( 11.791 1.293 -0.920) 11.898 3.986 ( 4.858 3.220 -3.445) 6.771 4.153 ( -10.128 -12.474 -0.842) 16.090 4.190 ( 0.806 -3.265 0.709) 3.437 4.226 ( 7.150 -1.311 -0.558) 7.290 4.283 ( 2.885 1.122 1.404) 3.399 4.374 ( 12.436 3.457 1.733) 13.023 4.698 ( -3.064 0.132 4.049) 5.079 4.808 ( -2.440 2.540 -2.094) 4.098 4.931 ( 1.771 -3.269 -1.794) 4.128 5.011 ( -9.658 0.152 0.280) 9.663 5.147 ( -11.757 1.621 -2.377) 12.104 5.253 ( -9.692 3.431 6.245) 12.030 5.504 ( -0.003 0.507 2.079) 2.140 5.758 ( -18.796 1.374 2.237) 18.978 5.875 ( -6.136 1.948 0.122) 6.439 5.995 ( -6.162 2.851 -0.063) 6.790 6.125 ( -0.620 -0.708 5.645) 5.723 6.193 ( 10.540 4.004 -0.613) 11.292 6.319 ( -2.315 -1.383 1.342) 3.012 6.390 ( 1.534 -1.400 0.022) 2.077 6.470 ( 4.348 4.382 -1.274) 6.304 6.715 ( -5.238 -4.134 -0.374) 6.683 6.806 ( 1.679 4.680 -0.871) 5.048 7.098 ( -6.553 -6.832 -6.181) 11.306 7.215 ( 18.985 3.077 -0.817) 19.250 7.370 ( 2.013 -4.884 -3.246) 6.200 7.457 ( -8.422 -4.821 -5.211) 11.015 7.685 ( -6.639 -10.719 1.134) 12.660 7.758 ( 0.037 -4.236 -0.622) 4.282 7.836 ( -9.813 -5.036 -3.245) 11.497 8.058 ( 2.857 0.206 4.716) 5.518 8.273 ( 9.087 -2.990 -1.392) 9.667 8.513 ( 12.637 8.702 -7.074) 16.895 8.752 ( 8.790 2.663 4.496) 10.226 8.916 ( -4.576 1.905 0.354) 4.969 9.031 ( 7.379 -6.285 -3.071) 10.167 9.120 ( 1.149 -3.083 -0.847) 3.397 9.259 ( -4.042 0.506 -0.608) 4.118 9.287 ( -7.876 0.533 1.117) 7.972 9.475 ( -3.406 2.413 -1.476) 4.427 9.734 ( 10.178 4.580 -1.534) 11.266 10.152 ( -8.941 -3.772 0.611) 9.724 10.548 ( 0.440 3.180 -0.286) 3.223 10.752 ( -2.588 2.840 -1.151) 4.011 12.018 ( 0.534 1.277 0.274) 1.411 12.250 ( -6.183 -2.965 -1.240) 6.968 13.009 ( -0.447 0.195 0.924) 1.045 13.069 ( 0.734 2.971 0.451) 3.094 13.113 ( -1.174 -0.237 1.088) 1.618 13.216 ( 0.616 3.859 -2.367) 4.568 13.310 ( -0.204 0.859 1.608) 1.835 13.499 ( -0.983 -6.766 -4.940) 8.435 13.653 ( 1.118 -1.565 0.454) 1.976 13.749 ( -1.204 -0.873 -1.016) 1.801 13.893 ( -2.244 0.839 -0.767) 2.515 13.916 ( -2.749 -0.417 6.630) 7.190 14.030 ( -2.051 -3.462 7.058) 8.125 14.215 ( -4.092 -1.337 0.212) 4.310 14.352 ( -1.261 5.776 -3.737) 6.994 14.407 ( -1.533 3.669 -0.743) 4.046 17.365 ( 11.812 3.966 8.101) 14.862 17.821 ( 6.245 1.233 1.820) 6.621 18.478 ( 1.694 -3.909 1.195) 4.425 18.746 ( -6.194 7.174 -2.074) 9.702 19.071 ( 9.751 -4.240 -9.154) 14.030 19.262 ( -2.059 -2.430 0.215) 3.192 ======================= Grid point 12 (11/63) ======================= q-point: ( 0.03 -0.03 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -9.274 0.666 -0.000) 9.298 1.558 ( 3.726 10.277 -0.000) 10.931 1.688 ( 1.016 21.575 -0.000) 21.599 1.850 ( 19.118 18.013 -0.000) 26.267 1.978 ( 7.103 5.567 -0.000) 9.024 2.373 ( -0.648 0.999 -0.000) 1.191 2.547 ( 2.140 -2.963 0.000) 3.655 2.792 ( -5.297 -0.156 -0.000) 5.300 2.852 ( -1.637 -10.481 0.000) 10.608 2.855 ( -0.370 -3.341 0.000) 3.362 2.864 ( -1.319 2.078 -0.000) 2.462 2.922 ( -4.611 -3.455 0.000) 5.762 3.124 ( 10.107 17.542 -0.000) 20.245 3.377 ( 1.250 -3.879 0.000) 4.075 3.432 ( 7.172 -0.238 0.000) 7.176 3.511 ( 6.846 13.389 -0.000) 15.038 3.636 ( 3.849 7.993 -0.000) 8.871 3.672 ( 10.353 -5.261 0.000) 11.613 3.800 ( -0.477 -14.998 0.000) 15.006 4.097 ( 6.943 1.137 0.000) 7.036 4.217 ( 14.491 -1.201 0.000) 14.540 4.305 ( -0.464 3.887 -0.000) 3.914 4.332 ( 17.647 -4.546 0.000) 18.223 4.391 ( -3.732 6.945 -0.000) 7.884 4.668 ( 13.027 -7.802 0.000) 15.185 4.714 ( 1.350 6.047 -0.000) 6.196 4.894 ( 0.237 -11.912 0.000) 11.914 5.003 ( -13.754 -3.224 -0.000) 14.126 5.211 ( -11.687 6.425 -0.000) 13.337 5.284 ( -12.581 5.423 -0.000) 13.700 5.538 ( -2.424 7.427 -0.000) 7.813 5.787 ( -9.546 -0.041 -0.000) 9.546 5.931 ( -6.415 3.279 -0.000) 7.204 6.070 ( -2.608 5.910 -0.000) 6.460 6.085 ( -5.002 0.507 -0.000) 5.028 6.254 ( 11.463 0.964 0.000) 11.504 6.276 ( -3.574 -1.446 -0.000) 3.856 6.369 ( 2.581 -1.059 0.000) 2.790 6.606 ( -2.003 -2.736 0.000) 3.391 6.646 ( -2.096 6.500 -0.000) 6.830 6.880 ( -7.030 -11.401 0.000) 13.394 7.013 ( 0.067 8.646 -0.000) 8.646 7.191 ( 5.777 -9.800 0.000) 11.376 7.396 ( -0.028 0.225 -0.000) 0.227 7.441 ( 16.268 3.154 0.000) 16.571 7.514 ( -16.908 -6.149 -0.000) 17.992 7.649 ( -0.977 -7.636 0.000) 7.698 7.794 ( -14.285 -3.193 -0.000) 14.637 7.937 ( -2.108 -3.324 0.000) 3.936 8.235 ( 10.909 -0.366 0.000) 10.915 8.652 ( 14.046 -0.200 0.000) 14.047 8.746 ( 11.882 0.814 0.000) 11.910 8.838 ( 9.443 -5.800 0.000) 11.082 9.047 ( -4.750 4.879 -0.000) 6.809 9.081 ( -1.340 -1.247 0.000) 1.831 9.264 ( -10.718 -0.268 -0.000) 10.721 9.284 ( -2.339 0.476 -0.000) 2.386 9.551 ( -0.988 1.626 -0.000) 1.903 9.851 ( 5.558 3.468 -0.000) 6.551 10.049 ( 5.976 -3.577 0.000) 6.965 10.635 ( -6.636 4.486 -0.000) 8.010 10.777 ( -6.370 -2.626 -0.000) 6.890 12.040 ( -0.755 0.972 -0.000) 1.231 12.199 ( -0.804 -2.782 0.000) 2.895 12.977 ( -1.296 -1.196 0.000) 1.764 13.123 ( -0.365 2.304 -0.000) 2.332 13.137 ( 1.140 2.492 -0.000) 2.740 13.278 ( 1.472 -1.369 0.000) 2.010 13.327 ( -3.106 0.664 -0.000) 3.176 13.388 ( -4.022 -6.240 0.000) 7.424 13.605 ( 1.462 -0.586 0.000) 1.575 13.763 ( -1.631 -0.811 -0.000) 1.822 13.824 ( 6.930 3.948 -0.000) 7.976 13.909 ( -0.776 -0.489 0.000) 0.917 13.957 ( -3.202 1.957 -0.000) 3.752 14.203 ( -8.661 -0.141 -0.000) 8.662 14.350 ( -5.625 -4.053 0.000) 6.933 14.555 ( 5.349 1.047 0.000) 5.451 17.460 ( 1.037 12.900 -0.000) 12.941 17.859 ( 8.869 3.436 0.000) 9.512 18.364 ( 5.069 -5.894 0.000) 7.774 18.932 ( -5.581 3.595 -0.000) 6.639 19.048 ( 1.197 -0.790 0.000) 1.434 19.190 ( 2.933 -5.189 0.000) 5.961 ======================= Grid point 13 (12/63) ======================= q-point: ( 0.03 -0.23 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -7.827 0.763 -11.834) 14.209 1.711 ( -5.866 -0.455 -2.831) 6.529 1.863 ( 4.251 2.166 5.243) 7.089 2.143 ( 7.957 14.925 8.847) 19.088 2.307 ( -3.083 -6.398 4.044) 8.173 2.325 ( 0.839 14.262 -5.938) 15.471 2.393 ( -2.003 -3.089 6.580) 7.540 2.639 ( 3.610 -3.702 -0.259) 5.177 2.725 ( 0.483 -3.178 -3.693) 4.896 2.821 ( -6.121 2.759 9.926) 11.984 2.987 ( -6.737 5.720 -3.832) 9.633 3.042 ( 1.664 7.599 -7.448) 10.770 3.189 ( 4.410 -9.862 -2.468) 11.081 3.254 ( 1.132 -10.028 0.545) 10.107 3.387 ( 6.648 0.200 4.334) 7.939 3.600 ( 3.646 4.738 0.136) 5.980 3.636 ( 7.560 -0.125 -2.095) 7.846 3.798 ( 1.736 5.868 -4.351) 7.508 3.940 ( -2.735 8.529 0.993) 9.011 4.089 ( 17.843 -3.122 6.472) 19.236 4.134 ( 6.593 4.346 0.373) 7.905 4.221 ( 11.873 -5.384 -0.248) 13.039 4.314 ( -0.967 1.544 6.547) 6.796 4.430 ( -0.401 1.029 -2.060) 2.337 4.577 ( 7.785 -8.164 -2.219) 11.497 4.745 ( 7.621 8.389 0.512) 11.345 4.875 ( -0.170 -1.497 -6.056) 6.241 4.913 ( -9.683 -6.901 -2.504) 12.151 5.279 ( -17.954 2.744 6.659) 19.344 5.453 ( -11.403 13.096 1.678) 17.445 5.618 ( -9.233 -6.372 -4.626) 12.135 5.828 ( 0.855 5.283 1.141) 5.472 5.985 ( -6.013 0.421 -0.142) 6.029 6.042 ( -4.161 0.424 3.486) 5.445 6.133 ( -0.721 -3.028 -2.674) 4.104 6.268 ( 3.151 0.050 -0.407) 3.177 6.321 ( 11.607 -1.742 0.310) 11.741 6.387 ( -8.635 4.026 -6.932) 11.783 6.540 ( -3.255 -2.231 -1.136) 4.106 6.589 ( -3.942 -9.941 1.195) 10.760 6.749 ( -3.413 4.288 3.704) 6.615 6.933 ( 5.391 -4.855 9.172) 11.695 7.205 ( -4.837 2.593 1.611) 5.720 7.321 ( -1.394 0.450 4.988) 5.198 7.376 ( 4.259 2.981 2.409) 5.730 7.536 ( -3.472 -0.965 0.724) 3.675 7.596 ( -5.381 6.610 -1.398) 8.637 7.778 ( -4.845 2.035 -0.052) 5.255 8.008 ( 4.089 -1.920 -10.350) 11.293 8.246 ( 10.239 1.153 0.437) 10.313 8.632 ( 13.835 -8.556 0.646) 16.280 8.671 ( 13.193 -0.713 -1.714) 13.323 8.834 ( 8.951 0.276 -3.011) 9.448 9.053 ( -0.843 -0.284 0.845) 1.227 9.155 ( -3.779 3.315 -0.569) 5.059 9.254 ( -6.555 0.569 1.254) 6.698 9.299 ( -4.577 -0.394 -1.436) 4.813 9.498 ( -1.458 -2.145 4.140) 4.886 9.780 ( 6.571 -8.722 -2.182) 11.136 10.127 ( 4.384 9.854 2.459) 11.062 10.666 ( -6.477 -6.683 0.493) 9.319 10.701 ( -6.079 1.417 -0.461) 6.259 12.048 ( -0.554 -1.130 -0.947) 1.575 12.170 ( -0.683 1.537 1.275) 2.111 12.989 ( -0.767 -0.285 -2.522) 2.651 13.118 ( 0.298 -1.671 0.398) 1.744 13.147 ( 1.571 -1.745 0.631) 2.432 13.251 ( -0.621 -1.008 1.757) 2.119 13.298 ( 0.121 0.504 -1.221) 1.326 13.318 ( -2.384 -3.611 -1.422) 4.554 13.644 ( 0.209 2.870 -0.998) 3.046 13.786 ( -1.828 -0.486 -2.583) 3.201 13.916 ( 1.862 0.179 2.175) 2.868 13.969 ( -1.421 4.059 -0.874) 4.389 14.014 ( 1.290 1.685 -6.218) 6.570 14.201 ( -4.424 -0.093 -0.219) 4.430 14.257 ( -10.084 -1.200 1.484) 10.263 14.432 ( 6.770 -8.278 2.176) 10.913 17.781 ( -9.677 14.603 -0.650) 17.531 17.919 ( 6.786 3.433 2.900) 8.140 18.268 ( 10.225 -5.502 -4.058) 12.300 18.790 ( -2.129 -3.518 6.912) 8.042 19.035 ( 4.336 -7.498 0.033) 8.661 19.202 ( -1.429 8.058 0.756) 8.219 ======================= Grid point 14 (13/63) ======================= q-point: ( 0.03 0.57 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -1.922 -7.221 4.621) 8.786 1.620 ( -4.224 -13.208 -0.449) 13.874 1.813 ( -3.438 3.636 1.424) 5.202 2.080 ( -0.311 2.186 9.724) 9.972 2.166 ( 2.264 -3.369 4.199) 5.840 2.269 ( 10.963 8.545 8.524) 16.305 2.396 ( -11.988 -4.421 9.501) 15.922 2.567 ( 7.480 -4.633 -0.513) 8.814 2.741 ( 2.454 -3.624 -5.620) 7.124 2.787 ( -2.148 3.221 0.305) 3.884 2.991 ( -0.772 -1.997 1.007) 2.366 3.095 ( -0.627 -5.029 0.907) 5.148 3.227 ( 1.461 5.747 -2.705) 6.517 3.323 ( 1.750 1.830 3.318) 4.174 3.356 ( 11.377 8.226 -3.404) 14.446 3.544 ( 8.131 -7.588 -0.754) 11.147 3.710 ( 13.924 -6.867 7.356) 17.180 3.830 ( 8.116 2.204 -3.056) 8.948 3.929 ( 9.674 3.560 4.819) 11.379 4.045 ( 9.592 -2.569 5.871) 11.536 4.125 ( -7.649 8.340 -6.587) 13.094 4.256 ( -1.609 2.633 -2.764) 4.143 4.323 ( 10.532 2.396 2.053) 10.995 4.521 ( -10.598 6.131 0.964) 12.282 4.639 ( 2.988 2.398 -3.457) 5.160 4.796 ( -5.501 0.855 -0.351) 5.578 4.846 ( -3.713 -7.346 -4.446) 9.355 4.972 ( -0.694 4.676 0.161) 4.730 5.120 ( -16.413 -7.231 2.930) 18.173 5.511 ( -12.257 -3.138 2.992) 13.002 5.604 ( -5.169 2.518 4.001) 7.004 5.810 ( -6.743 -2.156 0.817) 7.126 5.930 ( -5.830 -0.506 2.548) 6.383 6.075 ( -12.230 -2.302 2.306) 12.656 6.091 ( 1.493 0.282 -3.709) 4.008 6.277 ( -0.135 -2.627 -0.545) 2.687 6.349 ( 3.933 2.660 -3.568) 5.939 6.424 ( 7.748 4.968 3.967) 10.023 6.559 ( -2.589 0.244 -1.965) 3.259 6.631 ( 3.352 -1.959 3.432) 5.182 6.695 ( -2.949 1.136 -4.974) 5.893 6.798 ( -3.799 0.127 -0.582) 3.846 7.180 ( 3.220 2.791 0.308) 4.272 7.311 ( 2.698 3.181 1.758) 4.526 7.412 ( 3.139 3.555 1.849) 5.090 7.601 ( -1.681 1.526 -4.892) 5.393 7.786 ( -3.858 8.782 0.644) 9.613 7.810 ( -3.164 4.498 1.561) 5.717 8.140 ( 6.368 -1.356 -5.829) 8.739 8.234 ( 7.784 0.143 3.055) 8.364 8.368 ( 15.552 -13.978 0.053) 20.910 8.735 ( 12.423 0.727 -3.501) 12.927 8.915 ( 2.153 1.578 -2.772) 3.849 9.038 ( 4.521 0.427 0.894) 4.629 9.108 ( -3.707 -3.271 3.521) 6.070 9.260 ( -3.330 -0.039 0.361) 3.349 9.291 ( -2.929 -3.189 -0.922) 4.427 9.434 ( -6.066 1.494 0.281) 6.253 9.680 ( 7.722 -4.223 -1.690) 8.962 10.234 ( -7.813 5.253 3.517) 10.050 10.538 ( 0.436 -4.643 -0.179) 4.667 10.714 ( -2.877 -1.114 -0.737) 3.172 12.029 ( 1.215 -1.311 0.128) 1.792 12.211 ( -5.956 2.722 -0.491) 6.567 13.020 ( 0.447 -1.915 -1.421) 2.426 13.061 ( 0.666 -1.688 0.769) 1.971 13.110 ( 1.907 -1.972 -1.945) 3.363 13.197 ( -1.973 -2.351 0.624) 3.132 13.294 ( 1.015 -0.495 -3.617) 3.790 13.369 ( 1.385 4.240 1.836) 4.824 13.729 ( -2.434 2.210 -0.446) 3.317 13.770 ( 1.778 -2.877 4.066) 5.288 13.810 ( -2.667 -0.786 -1.665) 3.241 14.031 ( -6.237 -4.051 -1.245) 7.541 14.140 ( 0.662 1.791 -6.383) 6.662 14.216 ( 1.207 0.333 -0.983) 1.592 14.246 ( -1.746 -3.691 2.324) 4.698 14.342 ( -2.583 4.159 -1.848) 5.233 17.808 ( 5.180 0.159 12.448) 13.484 17.932 ( -4.128 3.661 3.778) 6.687 18.368 ( 3.251 0.293 -9.460) 10.007 18.671 ( 0.371 2.655 3.486) 4.398 18.889 ( 8.004 -6.855 -0.870) 10.574 19.306 ( -2.128 4.320 1.879) 5.169 ======================= Grid point 15 (14/63) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -6.246 -0.000 -9.304) 11.206 1.386 ( -0.207 0.000 0.923) 0.946 1.873 ( 5.860 0.000 -4.685) 7.502 1.901 ( -14.748 -0.000 3.325) 15.119 2.045 ( -2.388 -0.000 3.507) 4.243 2.156 ( -0.079 0.000 10.741) 10.741 2.654 ( -0.698 -0.000 -1.397) 1.562 2.675 ( -9.535 -0.000 -4.915) 10.728 2.745 ( 9.204 0.000 0.368) 9.211 2.847 ( 1.922 0.000 5.335) 5.671 2.908 ( -1.384 -0.000 -1.834) 2.298 2.934 ( -2.339 -0.000 0.464) 2.385 3.245 ( -1.188 -0.000 -8.528) 8.610 3.430 ( 3.844 0.000 10.751) 11.418 3.646 ( -4.437 -0.000 -7.712) 8.897 3.711 ( -2.536 -0.000 -0.869) 2.680 3.790 ( -9.264 -0.000 -2.811) 9.681 3.840 ( 13.678 0.000 2.325) 13.874 3.989 ( -2.109 -0.000 -0.899) 2.293 4.059 ( 0.624 0.000 6.048) 6.081 4.330 ( -11.142 -0.000 -3.552) 11.694 4.376 ( 11.714 0.000 1.617) 11.825 4.413 ( -2.316 -0.000 -2.514) 3.418 4.462 ( -11.037 -0.000 1.616) 11.155 4.578 ( 11.673 0.000 -0.837) 11.703 4.604 ( 0.034 0.000 3.193) 3.194 4.784 ( -6.653 -0.000 -1.239) 6.768 4.805 ( 10.047 0.000 0.728) 10.074 5.157 ( 7.572 0.000 -4.783) 8.956 5.233 ( -11.717 -0.000 3.552) 12.244 5.563 ( 9.598 0.000 -5.704) 11.165 5.626 ( -12.579 -0.000 1.595) 12.680 5.838 ( -2.443 -0.000 0.887) 2.599 5.839 ( -1.632 -0.000 1.088) 1.962 6.080 ( 4.157 0.000 -4.048) 5.802 6.174 ( -1.582 0.000 6.137) 6.338 6.461 ( 0.985 -0.000 -4.300) 4.412 6.488 ( -3.381 -0.000 -3.118) 4.599 6.600 ( -5.193 -0.000 -4.055) 6.588 6.679 ( -0.329 -0.000 -2.071) 2.096 6.766 ( 0.574 0.000 3.886) 3.928 6.782 ( 10.401 0.000 9.645) 14.185 7.235 ( 5.246 0.000 -5.358) 7.499 7.360 ( -2.277 0.000 8.315) 8.621 7.540 ( -4.126 -0.000 -7.451) 8.517 7.654 ( 6.990 0.000 4.689) 8.416 7.872 ( 0.538 0.000 -0.053) 0.540 7.884 ( -3.689 -0.000 1.189) 3.876 8.146 ( -0.016 -0.000 -8.043) 8.043 8.293 ( 0.869 0.000 7.529) 7.579 8.609 ( 17.978 0.000 -0.974) 18.004 8.642 ( -18.781 -0.000 2.847) 18.995 9.004 ( -10.712 -0.000 -2.235) 10.942 9.019 ( 12.514 0.000 -0.372) 12.520 9.173 ( 6.096 0.000 -2.321) 6.523 9.229 ( -4.937 -0.000 3.829) 6.248 9.270 ( -9.571 -0.000 -0.202) 9.573 9.282 ( 9.417 0.000 1.299) 9.507 9.863 ( 13.869 0.000 -2.397) 14.075 9.913 ( -15.125 -0.000 3.176) 15.455 10.639 ( -4.635 -0.000 -0.101) 4.637 10.643 ( 5.228 0.000 0.275) 5.235 12.082 ( -5.900 -0.000 -0.822) 5.957 12.098 ( 6.207 0.000 0.882) 6.269 13.029 ( 1.376 0.000 -0.610) 1.505 13.037 ( -1.236 -0.000 0.336) 1.281 13.122 ( 0.990 0.000 -1.917) 2.158 13.156 ( -0.412 0.000 1.675) 1.725 13.332 ( 1.725 0.000 -4.553) 4.869 13.441 ( -0.343 0.000 7.267) 7.275 13.695 ( -1.538 -0.000 0.131) 1.543 13.700 ( 0.133 0.000 0.568) 0.583 13.861 ( 4.857 0.000 -1.309) 5.031 13.873 ( -3.652 -0.000 0.166) 3.656 14.151 ( 0.145 -0.000 -1.385) 1.392 14.160 ( 0.671 0.000 -1.153) 1.334 14.336 ( -2.956 -0.000 -1.503) 3.316 14.336 ( 4.128 0.000 -1.734) 4.477 17.789 ( -11.545 -0.000 -4.742) 12.481 17.894 ( 0.864 0.000 6.345) 6.404 18.487 ( 8.895 0.000 -2.897) 9.355 18.531 ( -5.420 -0.000 1.811) 5.714 19.151 ( 11.940 0.000 -2.956) 12.300 19.225 ( -9.981 -0.000 4.945) 11.139 ======================= Grid point 16 (15/63) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 3.709 12.066 10.505) 16.422 1.533 ( 1.811 13.637 0.113) 13.758 1.803 ( -2.479 -2.908 7.706) 8.602 2.020 ( 6.933 4.817 -13.875) 16.242 2.095 ( 4.490 7.160 3.640) 9.202 2.228 ( 0.625 5.422 -9.436) 10.901 2.465 ( 8.615 -10.665 5.496) 14.771 2.577 ( -7.499 -11.286 -6.589) 15.067 2.793 ( 0.957 3.464 3.288) 4.871 2.839 ( -4.433 0.042 -0.530) 4.464 2.963 ( 7.347 2.374 1.418) 7.850 3.018 ( -4.409 5.818 -3.480) 8.087 3.218 ( 1.528 -1.356 8.444) 8.687 3.362 ( 0.236 -5.805 -6.249) 8.532 3.557 ( -1.340 -8.606 6.732) 11.008 3.635 ( 3.067 -3.475 -0.787) 4.701 3.824 ( -4.680 -1.321 1.105) 4.987 3.865 ( 1.036 0.870 -2.449) 2.797 4.011 ( 5.513 0.453 -0.483) 5.553 4.046 ( -3.399 2.814 -3.995) 5.952 4.235 ( 4.809 -6.414 3.075) 8.586 4.296 ( -1.384 -1.139 -2.957) 3.458 4.481 ( 4.441 -1.684 5.304) 7.120 4.547 ( -9.273 0.917 -1.244) 9.400 4.616 ( -7.070 6.525 0.787) 9.653 4.671 ( 10.200 9.329 -4.454) 14.522 4.801 ( -0.575 0.782 0.810) 1.264 4.817 ( -2.295 1.226 -0.741) 2.705 5.163 ( -11.362 -1.650 4.724) 12.415 5.240 ( 13.140 -2.086 -3.252) 13.696 5.551 ( -5.090 0.508 5.263) 7.340 5.614 ( 8.638 3.418 -1.175) 9.363 5.844 ( 3.266 1.552 0.594) 3.665 5.877 ( -1.004 2.737 -2.845) 4.073 6.142 ( -3.404 4.987 5.244) 7.998 6.253 ( 2.354 6.120 -6.727) 9.394 6.403 ( -1.337 -3.896 5.928) 7.218 6.493 ( 3.747 -0.843 -0.897) 3.944 6.554 ( 5.841 -4.503 4.350) 8.563 6.684 ( 1.587 -0.193 3.969) 4.279 6.691 ( -9.863 -6.340 -7.261) 13.791 6.790 ( -3.766 0.528 -7.586) 8.486 7.233 ( -2.926 -0.559 4.437) 5.344 7.335 ( -0.223 -2.843 -6.799) 7.373 7.511 ( 6.385 -2.528 5.062) 8.532 7.586 ( -8.260 -5.267 -2.833) 10.198 7.699 ( 0.431 -12.017 1.394) 12.105 7.752 ( 3.166 -9.757 -3.580) 10.865 8.203 ( 0.043 3.250 7.874) 8.519 8.323 ( -0.442 1.512 -5.063) 5.302 8.716 ( -14.444 8.663 0.858) 16.865 8.743 ( 14.642 8.043 -2.251) 16.857 8.983 ( 3.067 -0.803 2.070) 3.786 9.009 ( -6.232 -0.830 -0.510) 6.307 9.151 ( -2.379 -2.934 0.498) 3.809 9.174 ( 4.845 -4.211 -1.962) 6.712 9.272 ( 1.127 1.421 3.869) 4.273 9.346 ( -1.968 3.321 -4.048) 5.594 9.905 ( -11.077 3.699 2.980) 12.053 9.964 ( 11.808 4.682 -3.508) 13.178 10.626 ( 4.550 -1.222 0.563) 4.745 10.639 ( -5.309 -0.505 -0.825) 5.397 12.078 ( 1.665 -0.192 1.568) 2.295 12.109 ( -1.939 0.805 -1.766) 2.743 13.031 ( -0.327 0.621 2.063) 2.179 13.067 ( 0.205 2.222 -1.750) 2.836 13.130 ( -0.479 0.615 2.434) 2.556 13.175 ( 0.232 1.519 -2.264) 2.737 13.323 ( -1.436 -0.643 2.723) 3.145 13.386 ( -0.226 -4.242 -4.143) 5.934 13.711 ( -0.225 2.147 2.318) 3.167 13.739 ( 1.680 2.928 -0.641) 3.436 13.862 ( -5.072 0.659 0.253) 5.121 13.885 ( 4.959 0.493 -2.115) 5.414 14.135 ( -0.062 0.134 6.416) 6.418 14.224 ( -0.029 1.023 -2.567) 2.764 14.279 ( -0.735 -4.038 2.824) 4.983 14.331 ( -1.771 0.963 -1.806) 2.707 17.755 ( 9.617 -2.980 5.722) 11.581 17.876 ( -0.823 -1.535 -7.048) 7.260 18.496 ( -3.916 0.958 4.813) 6.279 18.579 ( 0.467 4.136 -3.877) 5.688 19.145 ( -9.363 -0.693 1.632) 9.530 19.193 ( 8.413 -2.906 -3.542) 9.580 ======================= Grid point 17 (16/63) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.059 1.133 16.554) 16.593 1.640 ( 1.269 2.967 6.267) 7.049 1.839 ( 7.444 13.224 0.541) 15.185 2.167 ( 3.731 -0.765 -4.440) 5.849 2.233 ( 10.012 1.345 -2.124) 10.323 2.342 ( 4.728 3.596 -0.705) 5.982 2.436 ( -10.611 -10.780 -4.531) 15.790 2.595 ( 1.899 0.683 -4.011) 4.491 2.705 ( 1.954 -0.142 -4.634) 5.031 2.795 ( -4.492 -6.161 -1.160) 7.713 2.917 ( -1.263 0.014 5.410) 5.555 3.021 ( 3.255 -3.775 7.950) 9.384 3.258 ( 0.391 8.817 1.259) 8.915 3.330 ( -5.537 5.355 0.443) 7.716 3.434 ( 2.403 0.253 -7.570) 7.947 3.634 ( -0.431 -1.357 -1.376) 1.980 3.754 ( -0.586 -2.159 0.984) 2.444 3.809 ( 1.738 -6.071 1.830) 6.575 3.857 ( 3.552 -9.745 4.981) 11.506 4.198 ( 1.467 0.909 -2.044) 2.675 4.221 ( 2.091 2.055 -5.899) 6.588 4.374 ( -2.047 2.253 2.951) 4.240 4.422 ( -1.077 4.128 -4.624) 6.291 4.593 ( -4.076 1.692 -0.333) 4.426 4.708 ( -1.928 2.205 1.536) 3.307 4.738 ( -3.292 2.424 2.604) 4.847 4.853 ( 3.505 0.967 -1.150) 3.814 4.945 ( 3.548 0.871 -2.503) 4.428 5.001 ( -12.231 -3.318 -0.103) 12.674 5.127 ( 14.081 -7.583 0.717) 16.009 5.520 ( -2.296 6.190 6.466) 9.241 5.794 ( 6.660 8.936 1.064) 11.195 5.877 ( 1.465 0.914 -1.033) 2.012 5.985 ( 0.171 1.031 -3.064) 3.238 6.119 ( -0.124 1.560 5.037) 5.274 6.223 ( -0.040 -3.406 4.106) 5.335 6.358 ( 0.667 -1.966 0.940) 2.279 6.478 ( 0.976 2.169 -3.668) 4.372 6.539 ( -0.546 -1.161 0.242) 1.305 6.631 ( -9.451 -6.721 -3.640) 12.155 6.668 ( 3.255 1.380 -1.845) 3.988 6.996 ( -0.519 5.809 -8.484) 10.295 7.161 ( -2.556 -2.968 0.286) 3.927 7.351 ( -4.209 -3.927 -4.583) 7.358 7.403 ( 6.941 -5.403 -0.991) 8.851 7.445 ( -1.623 -1.859 3.279) 4.104 7.605 ( -6.177 -3.254 -1.322) 7.106 7.670 ( 5.480 -3.300 -4.896) 8.056 8.059 ( -0.204 0.191 12.165) 12.168 8.369 ( 0.096 -0.312 -0.571) 0.658 8.869 ( -7.328 6.207 0.156) 9.604 8.902 ( 4.732 3.617 -1.172) 6.071 8.964 ( 5.059 1.774 1.781) 5.649 8.999 ( -11.786 0.173 0.600) 11.803 9.052 ( 4.833 -6.928 0.587) 8.468 9.091 ( 4.562 -3.372 -0.073) 5.673 9.241 ( -0.402 0.932 1.619) 1.911 9.491 ( -0.501 2.178 -4.541) 5.061 9.908 ( -3.588 1.687 2.932) 4.931 10.132 ( 4.090 4.005 -3.204) 6.560 10.583 ( 1.873 -1.263 0.650) 2.351 10.644 ( -3.300 -0.748 -0.903) 3.503 12.043 ( 0.034 -0.321 1.238) 1.279 12.164 ( -0.359 0.718 -1.869) 2.035 12.984 ( -0.321 -0.436 2.632) 2.687 13.115 ( 0.182 0.800 -0.026) 0.821 13.158 ( 0.672 3.383 -1.380) 3.715 13.245 ( -0.175 0.316 -2.601) 2.626 13.307 ( -0.802 0.788 0.842) 1.405 13.318 ( -2.090 -4.558 0.595) 5.049 13.667 ( -0.168 0.436 4.214) 4.240 13.745 ( 0.502 -0.323 0.632) 0.869 13.903 ( 0.675 -0.089 0.151) 0.697 13.972 ( 0.150 1.313 4.458) 4.650 14.034 ( 7.945 3.554 -0.060) 8.704 14.071 ( -3.771 -2.233 2.663) 5.128 14.215 ( -3.827 -5.767 -1.704) 7.128 14.536 ( -2.162 6.225 -5.034) 8.293 17.591 ( 6.729 -2.948 4.074) 8.400 17.979 ( 2.506 -0.336 -5.416) 5.977 18.401 ( -2.489 -0.511 4.586) 5.243 18.778 ( -3.102 6.451 -4.492) 8.451 19.101 ( 2.255 -4.369 0.147) 4.919 19.188 ( -1.417 -0.712 -1.909) 2.481 ======================= Grid point 18 (17/63) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.015 1.197 -0.000) 1.569 1.580 ( -1.591 -3.262 0.000) 3.629 1.834 ( -9.565 -12.444 0.000) 15.695 2.210 ( -7.743 -0.335 -0.000) 7.750 2.257 ( -11.892 -6.287 -0.000) 13.452 2.338 ( -0.877 -1.854 0.000) 2.051 2.482 ( 8.543 15.136 -0.000) 17.381 2.616 ( 2.259 5.158 -0.000) 5.631 2.761 ( 1.892 -1.390 0.000) 2.348 2.843 ( 0.075 1.114 -0.000) 1.117 2.849 ( 1.606 5.750 -0.000) 5.970 2.945 ( -2.149 2.767 -0.000) 3.504 3.232 ( -1.805 -12.388 0.000) 12.519 3.326 ( 6.018 -9.075 0.000) 10.889 3.528 ( -0.622 -0.864 0.000) 1.065 3.616 ( -2.281 -1.834 0.000) 2.926 3.755 ( 3.113 3.609 -0.000) 4.766 3.793 ( -8.692 12.773 -0.000) 15.450 3.801 ( -0.584 8.705 -0.000) 8.724 4.229 ( -1.551 1.769 -0.000) 2.352 4.302 ( -0.947 -2.047 0.000) 2.256 4.315 ( 1.208 -5.126 0.000) 5.267 4.475 ( 0.516 -9.233 0.000) 9.247 4.578 ( 3.181 -0.884 0.000) 3.302 4.696 ( 0.953 0.756 -0.000) 1.217 4.715 ( 9.659 -3.348 0.000) 10.223 4.862 ( -0.820 -1.189 0.000) 1.444 4.958 ( 5.040 4.734 -0.000) 6.915 5.070 ( -3.921 -2.706 0.000) 4.764 5.073 ( -12.324 8.248 -0.000) 14.829 5.456 ( 1.232 -5.198 0.000) 5.342 5.777 ( -6.138 -8.530 0.000) 10.509 5.895 ( -2.001 -1.015 -0.000) 2.244 6.027 ( -0.079 -1.294 0.000) 1.296 6.053 ( -1.886 -0.719 -0.000) 2.019 6.183 ( 0.825 3.120 -0.000) 3.227 6.351 ( 0.549 0.938 -0.000) 1.087 6.517 ( -1.634 -1.455 0.000) 2.188 6.529 ( 2.759 1.879 -0.000) 3.338 6.666 ( 9.672 7.151 -0.000) 12.028 6.691 ( -3.612 -3.071 0.000) 4.741 7.068 ( -3.574 -7.049 0.000) 7.903 7.162 ( 5.773 1.435 0.000) 5.949 7.392 ( -2.084 3.545 -0.000) 4.112 7.397 ( -0.454 -1.250 0.000) 1.330 7.472 ( 3.250 10.398 -0.000) 10.895 7.612 ( 3.420 4.374 -0.000) 5.552 7.758 ( -4.962 0.720 -0.000) 5.014 7.878 ( 1.654 2.178 -0.000) 2.735 8.372 ( -0.297 0.505 -0.000) 0.586 8.867 ( 8.461 -6.893 0.000) 10.914 8.928 ( -8.055 -2.554 -0.000) 8.451 8.930 ( -2.084 -1.307 0.000) 2.460 8.993 ( 12.317 -0.213 0.000) 12.319 9.046 ( -6.316 7.821 -0.000) 10.053 9.091 ( -3.965 2.969 -0.000) 4.954 9.228 ( 0.283 -1.203 0.000) 1.236 9.537 ( 0.249 -2.624 0.000) 2.636 9.879 ( 3.708 -1.369 0.000) 3.952 10.164 ( -4.119 -4.202 0.000) 5.885 10.577 ( -1.777 1.392 -0.000) 2.257 10.653 ( 3.611 0.814 0.000) 3.702 12.031 ( 0.012 0.408 -0.000) 0.408 12.183 ( 0.406 -0.886 0.000) 0.975 12.959 ( 0.331 0.812 -0.000) 0.877 13.122 ( -0.263 -1.369 0.000) 1.394 13.166 ( -1.134 -4.366 0.000) 4.511 13.275 ( 1.548 -1.729 0.000) 2.321 13.289 ( 1.161 -0.497 0.000) 1.263 13.313 ( 1.591 7.186 -0.000) 7.360 13.631 ( -0.423 0.475 -0.000) 0.636 13.746 ( -0.067 0.669 -0.000) 0.673 13.890 ( -1.971 1.051 -0.000) 2.234 13.902 ( 0.147 -0.145 0.000) 0.207 14.040 ( -6.650 1.181 -0.000) 6.754 14.067 ( 1.976 -5.581 0.000) 5.920 14.232 ( 4.536 6.022 -0.000) 7.539 14.582 ( 2.888 -7.508 0.000) 8.045 17.554 ( -7.877 3.407 -0.000) 8.582 18.030 ( -3.780 0.131 -0.000) 3.783 18.358 ( 3.361 0.944 0.000) 3.491 18.819 ( 3.696 -8.217 0.000) 9.010 19.101 ( -2.455 5.544 -0.000) 6.064 19.207 ( 1.648 0.937 -0.000) 1.896 ======================= Grid point 19 (18/63) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -5.065 -9.201 -11.567) 15.624 1.482 ( -8.412 -11.228 -4.035) 14.598 1.732 ( -2.622 4.587 -1.015) 5.380 2.101 ( -13.836 -6.573 3.023) 15.613 2.194 ( -11.287 -2.788 2.542) 11.901 2.377 ( -2.326 8.443 0.416) 8.767 2.446 ( -6.125 -7.418 10.887) 14.528 2.694 ( 2.681 9.730 5.498) 11.493 2.761 ( 5.457 -3.679 0.007) 6.581 2.822 ( 2.772 1.990 -1.085) 3.581 2.954 ( -2.000 0.007 -0.904) 2.195 3.030 ( -2.598 -10.334 -3.177) 11.119 3.084 ( -1.974 2.752 -5.519) 6.475 3.367 ( 0.987 9.199 -4.767) 10.407 3.507 ( -0.296 7.854 2.241) 8.173 3.616 ( -5.243 -1.646 -1.828) 5.791 3.821 ( 4.738 1.016 0.481) 4.869 3.897 ( 4.400 -0.893 1.012) 4.603 4.053 ( -6.542 4.338 2.953) 8.386 4.137 ( 0.364 -2.479 5.543) 6.083 4.198 ( -6.510 5.282 -0.313) 8.389 4.309 ( -1.358 -5.556 -2.068) 6.081 4.373 ( -4.640 1.189 -6.214) 7.846 4.552 ( 10.503 -1.329 0.399) 10.594 4.626 ( 9.916 -4.587 0.910) 10.963 4.725 ( 2.103 -1.508 0.193) 2.595 4.813 ( -8.240 -2.600 1.140) 8.716 4.849 ( 2.182 -5.310 5.211) 7.753 5.077 ( 4.418 -0.099 -4.663) 6.424 5.256 ( -6.883 3.138 -2.031) 7.832 5.465 ( -2.989 1.211 -2.754) 4.241 5.603 ( -9.364 -4.314 -1.555) 10.427 5.854 ( -4.373 -0.715 1.371) 4.638 5.935 ( -1.253 -3.507 3.155) 4.881 6.059 ( 2.659 -3.530 -3.900) 5.894 6.310 ( -0.765 4.357 -3.805) 5.835 6.368 ( -1.256 -4.752 4.385) 6.587 6.415 ( -1.459 -0.623 -3.123) 3.503 6.573 ( -0.579 1.462 1.320) 2.053 6.635 ( -1.951 -0.346 -1.449) 2.454 6.796 ( 10.683 5.986 4.247) 12.961 6.918 ( 2.283 -0.945 5.139) 5.703 7.175 ( 7.311 -0.658 -1.886) 7.579 7.411 ( -1.249 -0.502 -4.742) 4.929 7.475 ( 2.346 5.460 6.621) 8.896 7.624 ( 4.032 7.760 2.971) 9.236 7.709 ( -1.538 10.333 1.596) 10.568 7.804 ( -5.266 7.665 1.412) 9.407 8.050 ( 1.615 -0.812 -8.158) 8.355 8.386 ( 0.001 1.428 2.001) 2.458 8.706 ( 13.032 -8.745 -0.322) 15.698 8.798 ( -12.529 -6.202 3.578) 14.431 8.940 ( -5.632 -0.387 -2.638) 6.232 9.004 ( 12.427 0.400 -0.624) 12.449 9.152 ( 1.097 1.971 0.492) 2.309 9.209 ( -2.790 2.739 -2.101) 4.438 9.215 ( -3.057 4.155 1.282) 5.315 9.413 ( 1.571 -5.347 3.002) 6.330 9.858 ( 11.233 -2.781 -2.066) 11.755 10.027 ( -12.501 -4.839 3.021) 13.741 10.619 ( -3.938 1.787 -0.238) 4.331 10.654 ( 6.036 -0.130 0.709) 6.079 12.055 ( -1.415 0.857 -0.884) 1.876 12.138 ( 2.174 -1.768 1.242) 3.065 12.998 ( 0.513 0.870 -1.401) 1.727 13.088 ( -0.755 -3.190 0.066) 3.279 13.096 ( 0.579 -0.881 -0.779) 1.311 13.208 ( 1.249 -2.344 1.388) 2.997 13.285 ( 1.746 -1.076 -1.567) 2.581 13.463 ( 2.302 8.577 3.652) 9.602 13.671 ( -0.884 1.226 -1.467) 2.106 13.750 ( -1.523 -0.208 1.141) 1.914 13.860 ( 1.643 -3.769 -0.320) 4.124 13.921 ( -3.619 -3.272 1.359) 5.064 14.007 ( 0.040 2.303 -6.902) 7.276 14.189 ( -0.836 6.762 -3.117) 7.492 14.293 ( 3.072 -2.007 1.902) 4.133 14.342 ( 4.024 -8.173 -0.332) 9.116 17.677 ( -16.769 4.448 -2.782) 17.570 17.991 ( -6.390 0.741 4.864) 8.064 18.419 ( 7.440 1.166 -3.201) 8.183 18.630 ( 1.442 -6.754 1.745) 7.124 19.129 ( 9.063 -0.895 -0.279) 9.111 19.262 ( -5.665 4.889 3.429) 8.231 ======================= Grid point 20 (19/63) ======================= q-point: ( 0.07 -0.27 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 4.403 0.000 -11.967) 12.751 1.197 ( -5.420 -0.000 -7.500) 9.254 1.486 ( -26.971 -0.000 -0.657) 26.979 1.732 ( -26.528 -0.000 -10.263) 28.444 2.033 ( 14.449 0.000 -4.895) 15.256 2.218 ( -7.672 -0.000 4.428) 8.858 2.499 ( 2.359 0.000 8.532) 8.852 2.592 ( -15.402 -0.000 3.822) 15.869 2.653 ( -13.814 -0.000 -15.335) 20.639 2.798 ( 1.067 -0.000 -4.066) 4.204 2.844 ( -4.486 -0.000 0.569) 4.522 3.037 ( 6.156 0.000 1.631) 6.368 3.157 ( -4.341 -0.000 -3.400) 5.514 3.296 ( -8.615 -0.000 -1.466) 8.739 3.417 ( -10.480 -0.000 -2.394) 10.750 3.447 ( -15.373 -0.000 4.181) 15.931 3.685 ( -3.911 -0.000 7.565) 8.517 3.802 ( -4.837 -0.000 -0.069) 4.837 3.912 ( -13.226 -0.000 0.857) 13.254 4.204 ( -0.999 -0.000 -6.745) 6.818 4.245 ( -5.274 -0.000 1.187) 5.406 4.277 ( 5.383 0.000 -8.325) 9.914 4.300 ( -12.984 -0.000 0.715) 13.003 4.338 ( 14.315 0.000 4.874) 15.122 4.688 ( -0.371 -0.000 -1.561) 1.605 4.825 ( 8.329 0.000 -3.232) 8.934 4.890 ( 2.266 0.000 5.724) 6.156 5.031 ( -2.691 -0.000 -1.096) 2.906 5.166 ( 14.664 0.000 4.216) 15.258 5.197 ( 10.580 0.000 -8.012) 13.272 5.461 ( 1.317 0.000 -1.853) 2.273 5.780 ( 15.426 0.000 -0.848) 15.450 5.876 ( 7.979 0.000 -2.317) 8.309 5.941 ( 7.924 0.000 1.596) 8.083 6.132 ( 5.978 0.000 -7.145) 9.317 6.148 ( -11.698 -0.000 0.543) 11.711 6.333 ( 1.263 0.000 -1.997) 2.363 6.405 ( -3.087 -0.000 -0.351) 3.107 6.429 ( -5.495 -0.000 0.350) 5.506 6.759 ( 4.700 0.000 0.532) 4.730 6.766 ( -1.254 -0.000 1.269) 1.784 7.146 ( -19.122 -0.000 6.051) 20.057 7.194 ( 0.515 0.000 2.353) 2.408 7.399 ( 3.486 0.000 -0.950) 3.613 7.530 ( 15.237 0.000 2.607) 15.459 7.781 ( -5.330 -0.000 2.656) 5.955 7.880 ( 3.009 0.000 -0.878) 3.134 7.885 ( 8.042 0.000 0.449) 8.055 8.043 ( -3.797 -0.000 -2.490) 4.541 8.337 ( -7.180 -0.000 4.257) 8.347 8.365 ( -14.713 -0.000 12.422) 19.256 8.721 ( -8.813 -0.000 -5.255) 10.261 8.870 ( 10.030 0.000 -2.076) 10.242 9.112 ( -6.932 -0.000 4.641) 8.342 9.199 ( -6.292 -0.000 5.641) 8.451 9.239 ( 2.805 0.000 -0.053) 2.806 9.278 ( 9.618 0.000 0.122) 9.619 9.442 ( 5.365 0.000 -0.393) 5.379 9.691 ( -9.743 -0.000 1.825) 9.912 10.179 ( 17.096 0.000 -1.243) 17.142 10.524 ( -6.309 -0.000 0.776) 6.357 10.706 ( -0.201 -0.000 0.202) 0.285 12.004 ( -0.471 -0.000 -0.148) 0.493 12.281 ( 8.675 0.000 1.092) 8.744 13.012 ( -1.949 -0.000 0.752) 2.089 13.028 ( 0.749 0.000 -1.846) 1.992 13.119 ( 1.739 0.000 -1.374) 2.216 13.167 ( -2.693 -0.000 1.893) 3.292 13.305 ( 1.208 0.000 -2.135) 2.453 13.588 ( -0.822 0.000 6.862) 6.911 13.668 ( -1.804 -0.000 2.177) 2.828 13.764 ( 5.511 0.000 0.194) 5.514 13.880 ( 1.732 0.000 1.769) 2.476 13.914 ( 5.541 0.000 -7.475) 9.305 14.147 ( 3.744 0.000 -5.566) 6.708 14.160 ( 1.803 0.000 0.791) 1.969 14.243 ( -2.864 -0.000 -0.141) 2.868 14.390 ( 3.108 0.000 -1.056) 3.282 17.330 ( -16.112 -0.000 -8.703) 18.312 17.809 ( -6.395 -0.000 -2.692) 6.939 18.529 ( -1.957 -0.000 0.363) 1.991 18.655 ( 7.952 0.000 -1.119) 8.030 19.123 ( -11.524 -0.000 12.306) 16.859 19.284 ( 3.874 0.000 -0.899) 3.977 ======================= Grid point 21 (20/63) ======================= q-point: ( 0.07 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -2.521 12.139 -6.953) 14.214 1.520 ( -0.555 12.850 -11.041) 16.951 1.689 ( -12.926 4.001 -9.956) 16.799 1.977 ( -7.522 -1.297 -10.408) 12.906 2.059 ( 3.362 2.973 -5.598) 7.176 2.191 ( -1.605 -6.675 3.155) 7.556 2.299 ( 2.904 2.305 1.002) 3.841 2.615 ( -8.641 7.843 4.718) 12.587 2.779 ( 4.164 -2.542 -0.263) 4.885 2.844 ( -2.554 1.672 4.863) 5.742 2.987 ( 6.686 -2.673 -0.057) 7.201 3.044 ( -5.113 9.359 -4.905) 11.738 3.191 ( -0.301 -3.409 -4.601) 5.734 3.305 ( -7.404 -8.064 -0.415) 10.955 3.398 ( -6.650 -1.986 0.321) 6.947 3.479 ( -17.235 6.069 -7.663) 19.814 3.660 ( -11.330 12.034 3.931) 16.990 3.782 ( -11.230 -0.628 -3.354) 11.737 3.955 ( -6.859 -0.254 0.410) 6.876 4.033 ( 0.391 -9.682 6.812) 11.845 4.208 ( 2.778 -4.291 1.982) 5.482 4.257 ( 1.922 -6.337 -2.647) 7.131 4.301 ( -11.629 -0.799 -0.397) 11.663 4.456 ( 2.498 -0.760 -5.565) 6.147 4.721 ( 0.235 0.184 4.419) 4.429 4.780 ( 6.225 -1.271 -1.739) 6.587 4.904 ( 0.348 6.084 1.406) 6.254 4.987 ( 6.425 -2.603 2.401) 7.337 5.109 ( 12.236 1.867 1.043) 12.422 5.398 ( 10.455 2.184 -8.188) 13.458 5.548 ( 0.476 0.517 -2.616) 2.709 5.794 ( 11.255 1.962 -1.263) 11.494 5.891 ( 7.362 1.545 -1.584) 7.687 6.025 ( 11.885 2.417 -2.926) 12.476 6.148 ( -7.902 0.433 2.173) 8.207 6.244 ( 5.045 1.577 -4.212) 6.759 6.357 ( -6.315 -2.573 -2.628) 7.308 6.412 ( -0.992 -0.728 -0.030) 1.231 6.443 ( -3.635 0.216 -2.056) 4.182 6.697 ( 3.961 -2.606 2.140) 5.202 6.780 ( 0.849 3.140 2.335) 4.004 6.917 ( 3.550 -2.615 12.089) 12.868 7.192 ( -9.716 -2.008 1.427) 10.023 7.304 ( -6.558 -8.745 1.645) 11.054 7.405 ( 4.889 -1.124 1.045) 5.125 7.675 ( -0.116 -6.627 2.749) 7.176 7.770 ( 3.831 -3.421 -1.986) 5.507 7.793 ( 8.205 -7.921 1.214) 11.469 8.145 ( -5.760 1.457 -4.389) 7.387 8.237 ( -8.936 0.095 2.693) 9.334 8.406 ( -14.173 13.204 4.232) 19.827 8.787 ( -9.698 0.775 1.271) 9.812 8.923 ( 0.166 -0.820 -1.142) 1.416 9.016 ( -3.873 -1.336 -0.950) 4.205 9.092 ( -0.266 0.731 1.485) 1.676 9.254 ( 3.266 -0.127 -0.071) 3.269 9.302 ( 5.820 2.522 -0.145) 6.345 9.445 ( 4.954 -0.595 1.392) 5.180 9.707 ( -9.007 4.660 1.372) 10.234 10.179 ( 8.497 -4.624 -2.312) 9.946 10.543 ( -0.534 3.959 0.277) 4.005 10.731 ( 2.564 1.870 1.087) 3.354 12.024 ( -0.946 1.517 -0.357) 1.823 12.227 ( 6.084 -3.148 1.175) 6.950 13.026 ( -0.493 2.334 -0.737) 2.497 13.063 ( -0.184 1.406 0.814) 1.635 13.136 ( -0.657 0.363 -0.233) 0.786 13.181 ( 1.271 2.673 0.506) 3.002 13.338 ( -0.411 -0.798 -1.371) 1.639 13.388 ( 0.195 -2.775 6.029) 6.640 13.691 ( -1.395 1.479 -3.289) 3.867 13.743 ( 1.308 -1.651 0.123) 2.110 13.851 ( 2.238 0.890 2.599) 3.544 14.020 ( 8.059 0.256 -2.850) 8.552 14.158 ( 2.644 -0.766 -6.362) 6.932 14.221 ( -1.674 -1.083 -0.167) 2.001 14.264 ( 0.757 4.175 5.716) 7.119 14.380 ( 1.576 -1.753 1.989) 3.084 17.566 ( -7.765 2.209 -13.114) 15.400 17.868 ( -0.579 -0.917 -3.167) 3.347 18.490 ( -0.341 -0.669 1.649) 1.812 18.672 ( 1.038 -1.318 4.669) 4.962 18.930 ( -12.212 3.329 4.589) 13.463 19.276 ( 2.528 -3.333 -1.255) 4.367 ======================= Grid point 22 (21/63) ======================= q-point: ( 0.07 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -1.194 6.666 3.339) 7.551 1.753 ( -0.928 0.595 6.772) 6.861 1.831 ( -3.346 -0.808 -1.277) 3.672 1.990 ( -8.556 -9.497 -5.547) 13.934 2.171 ( 1.668 11.291 -9.209) 14.665 2.283 ( 0.530 2.158 -4.975) 5.448 2.397 ( 1.362 -4.012 1.064) 4.369 2.617 ( 4.487 -12.128 -7.775) 15.089 2.695 ( -0.575 4.345 4.330) 6.162 2.796 ( 2.069 1.624 2.612) 3.707 3.019 ( 2.641 1.728 -1.491) 3.491 3.180 ( -9.043 -11.294 4.320) 15.100 3.214 ( -2.147 6.033 0.468) 6.421 3.249 ( -2.392 11.072 0.248) 11.330 3.319 ( 2.403 2.582 -0.498) 3.562 3.571 ( 2.013 -9.045 -1.575) 9.399 3.694 ( -6.503 1.857 3.584) 7.654 3.836 ( -3.498 -5.663 -3.167) 7.372 3.951 ( -4.404 2.061 1.574) 5.111 4.022 ( -9.667 -0.484 0.984) 9.729 4.079 ( -6.290 0.194 -5.044) 8.065 4.165 ( -8.804 -5.796 -4.249) 11.364 4.286 ( -6.016 4.960 2.440) 8.170 4.441 ( -1.486 -3.983 -0.840) 4.334 4.620 ( -9.088 2.948 2.278) 9.822 4.736 ( -4.705 -6.665 -0.416) 8.169 4.976 ( 11.039 6.080 4.184) 13.279 4.993 ( 0.731 6.654 6.041) 9.017 5.173 ( 17.750 -0.902 -4.955) 18.451 5.380 ( 7.379 -13.825 -5.763) 16.697 5.671 ( 5.505 9.060 0.140) 10.603 5.813 ( -0.057 -5.422 0.340) 5.433 5.973 ( 6.358 2.777 -1.272) 7.054 6.024 ( 6.218 -3.537 0.888) 7.209 6.184 ( -0.249 6.481 1.739) 6.715 6.291 ( -4.303 -2.246 3.539) 6.007 6.320 ( -6.061 0.468 0.051) 6.079 6.427 ( 4.734 2.108 -5.907) 7.858 6.569 ( 4.044 2.997 -6.290) 8.057 6.577 ( 5.374 -7.202 7.506) 11.709 6.698 ( -1.293 2.166 2.148) 3.313 6.794 ( 2.610 0.783 -3.761) 4.645 7.174 ( -2.419 2.032 -1.736) 3.605 7.251 ( -0.015 -4.012 -2.699) 4.835 7.362 ( -0.740 -0.144 0.472) 0.889 7.490 ( 3.334 -8.585 -1.907) 9.406 7.660 ( 6.956 0.457 3.543) 7.820 7.760 ( 5.594 -2.586 -1.890) 6.446 8.163 ( -7.909 0.604 5.922) 9.899 8.226 ( -9.627 -0.161 -1.911) 9.816 8.622 ( -12.852 10.255 -0.364) 16.446 8.712 ( -12.390 -2.161 2.807) 12.887 8.908 ( -5.144 0.286 4.504) 6.843 9.011 ( -3.298 -1.460 -3.730) 5.189 9.167 ( 6.347 1.891 0.127) 6.624 9.227 ( 4.128 -2.165 -1.115) 4.792 9.341 ( 3.972 0.996 2.904) 5.020 9.419 ( 3.603 0.128 -3.846) 5.272 9.823 ( -7.620 9.428 2.271) 12.333 10.074 ( -3.502 -10.007 -3.048) 11.032 10.655 ( 6.130 5.860 -0.613) 8.503 10.714 ( 6.045 -1.601 0.981) 6.330 12.068 ( -0.206 2.471 0.865) 2.626 12.146 ( 1.790 -3.246 -0.916) 3.818 13.045 ( 0.192 0.969 3.301) 3.446 13.103 ( -0.656 1.532 -1.863) 2.500 13.148 ( -0.108 1.026 1.210) 1.590 13.204 ( 1.111 -1.456 -2.902) 3.432 13.319 ( 1.097 1.705 1.510) 2.528 13.344 ( 2.655 1.443 0.787) 3.122 13.692 ( -3.111 0.068 3.931) 5.014 13.823 ( -1.552 0.570 -6.105) 6.325 13.842 ( 1.664 2.573 2.592) 4.013 13.981 ( -0.208 -7.345 -0.542) 7.367 14.168 ( 0.992 2.572 7.181) 7.692 14.218 ( 4.845 1.313 2.716) 5.707 14.233 ( 7.822 -2.171 0.115) 8.118 14.361 ( -2.836 3.205 -5.538) 6.999 17.804 ( 5.094 -7.823 1.301) 9.425 17.815 ( -2.558 0.359 -7.583) 8.011 18.401 ( -8.875 3.285 9.954) 13.734 18.634 ( -3.475 -0.954 -9.047) 9.738 19.036 ( -2.836 7.575 0.066) 8.089 19.187 ( 1.229 -7.224 -0.705) 7.361 ======================= Grid point 23 (22/63) ======================= q-point: ( 0.07 0.13 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 7.191 -1.423 14.476) 16.226 1.607 ( -3.394 -6.874 3.009) 8.235 1.659 ( -8.716 -18.756 1.451) 20.733 1.870 ( -12.704 -10.931 0.522) 16.768 2.065 ( -5.674 -9.109 8.499) 13.689 2.335 ( 2.368 -0.318 -4.708) 5.279 2.455 ( -5.583 -4.985 -7.956) 10.923 2.721 ( 7.661 5.908 -5.951) 11.358 2.803 ( 4.479 5.177 -4.722) 8.316 2.856 ( 1.180 7.223 1.512) 7.473 2.885 ( -2.914 -6.472 0.930) 7.159 2.992 ( 1.720 4.661 7.406) 8.918 3.201 ( -5.744 -13.058 4.768) 15.042 3.328 ( -5.033 -1.540 -5.613) 7.694 3.395 ( -0.633 1.013 -0.267) 1.224 3.576 ( -7.022 -10.068 3.972) 12.901 3.663 ( -5.627 -4.542 2.653) 7.703 3.728 ( -9.195 5.161 5.144) 11.732 3.776 ( -1.029 12.912 -1.878) 13.088 4.095 ( -3.907 -0.547 -0.525) 3.980 4.182 ( -18.247 3.472 -3.247) 18.856 4.236 ( 0.018 -4.526 -6.966) 8.307 4.349 ( -5.472 0.498 2.035) 5.859 4.370 ( -5.826 -2.648 -1.343) 6.539 4.665 ( -11.443 5.363 -0.389) 12.643 4.732 ( -0.407 0.937 0.984) 1.419 4.959 ( 0.519 3.964 6.373) 7.523 5.018 ( 12.984 2.455 1.373) 13.285 5.179 ( 12.453 -2.954 -3.795) 13.350 5.264 ( 10.539 -4.197 -0.771) 11.370 5.575 ( -0.546 -8.068 3.125) 8.669 5.811 ( 11.874 1.018 2.484) 12.174 5.936 ( 7.045 -3.480 0.676) 7.887 6.034 ( 4.278 -1.280 -2.067) 4.921 6.139 ( -1.365 -2.631 3.340) 4.465 6.269 ( -4.773 -2.412 1.165) 5.473 6.289 ( -0.484 0.278 2.049) 2.124 6.360 ( -1.486 1.186 -0.406) 1.944 6.601 ( 1.253 -6.215 -5.186) 8.191 6.621 ( 3.104 2.809 1.611) 4.486 6.837 ( 6.293 10.338 -4.302) 12.844 7.006 ( 1.875 -4.971 -2.369) 5.817 7.156 ( -4.138 9.988 -3.657) 11.413 7.289 ( -12.123 -3.335 -6.482) 14.146 7.412 ( 6.858 3.596 -3.341) 8.434 7.545 ( 3.703 2.368 2.531) 5.072 7.624 ( 5.613 6.477 -1.843) 8.767 7.772 ( 9.435 1.632 -0.955) 9.623 8.045 ( -1.561 1.397 7.911) 8.183 8.239 ( -10.651 0.479 0.215) 10.664 8.634 ( -13.617 -3.158 -1.191) 14.029 8.798 ( -11.095 3.343 4.298) 12.359 8.819 ( -9.068 2.286 -1.410) 9.458 9.039 ( 3.112 -2.379 -1.074) 4.061 9.098 ( 2.380 -1.118 1.828) 3.202 9.254 ( 7.889 0.492 -0.981) 7.965 9.299 ( 4.606 -0.350 1.534) 4.867 9.512 ( 1.414 -0.871 -3.864) 4.206 9.860 ( -6.569 -5.768 0.637) 8.765 10.033 ( -5.056 5.439 -1.151) 7.515 10.637 ( 6.516 -4.635 0.278) 8.001 10.763 ( 6.078 2.312 -1.341) 6.640 12.048 ( 0.547 -1.343 0.844) 1.678 12.183 ( 1.044 2.929 -1.548) 3.474 13.003 ( 1.417 0.854 2.559) 3.047 13.118 ( 0.459 -1.403 0.187) 1.488 13.135 ( -1.103 -2.318 -0.766) 2.679 13.249 ( -0.335 0.509 -2.556) 2.627 13.338 ( 2.390 0.133 0.719) 2.499 13.386 ( 3.676 3.884 -0.807) 5.408 13.623 ( -2.268 0.556 2.522) 3.437 13.774 ( -0.412 -3.346 0.465) 3.403 13.857 ( -3.983 2.017 4.117) 6.073 13.935 ( 2.956 -1.716 -1.988) 3.954 14.000 ( 1.077 0.127 8.175) 8.247 14.205 ( 8.471 0.154 0.379) 8.481 14.326 ( 5.678 3.944 -2.448) 7.334 14.509 ( -4.577 -1.349 -4.995) 6.908 17.512 ( -0.906 -11.033 5.520) 12.371 17.859 ( -6.420 -2.510 -0.262) 6.898 18.384 ( -5.580 5.536 2.444) 8.232 18.849 ( 2.046 0.027 -9.082) 9.309 19.039 ( -1.745 -4.000 -0.437) 4.385 19.183 ( -1.602 5.335 -0.450) 5.588 ======================= Grid point 24 (23/63) ======================= q-point: ( 0.07 -0.07 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 7.259 -17.495 0.000) 18.941 1.234 ( -7.269 -11.011 0.000) 13.194 1.554 ( -19.907 -1.451 -0.000) 19.960 1.622 ( -30.801 -3.766 -0.000) 31.030 1.903 ( 5.006 1.971 0.000) 5.380 2.345 ( -7.281 -1.833 -0.000) 7.508 2.585 ( 2.239 2.168 -0.000) 3.117 2.677 ( -13.699 -19.803 0.000) 24.079 2.757 ( -9.384 -7.815 0.000) 12.212 2.771 ( 2.161 -4.228 0.000) 4.748 2.909 ( -4.269 -2.623 0.000) 5.010 3.008 ( 3.937 4.634 -0.000) 6.080 3.076 ( 5.947 7.117 -0.000) 9.274 3.248 ( -10.731 -3.905 -0.000) 11.420 3.329 ( -8.862 -2.932 -0.000) 9.334 3.536 ( -1.463 11.320 -0.000) 11.414 3.661 ( -14.264 -1.570 -0.000) 14.350 3.777 ( -14.688 3.783 -0.000) 15.168 4.060 ( -3.925 -4.140 0.000) 5.705 4.075 ( 4.589 5.540 -0.000) 7.194 4.216 ( 0.671 -3.850 0.000) 3.908 4.216 ( -1.209 2.676 -0.000) 2.937 4.303 ( 3.402 3.323 -0.000) 4.756 4.364 ( -22.405 -1.923 -0.000) 22.487 4.652 ( -2.391 0.878 -0.000) 2.547 4.820 ( 4.617 -5.259 0.000) 6.998 4.952 ( -4.846 9.359 -0.000) 10.539 5.002 ( 15.056 -2.940 0.000) 15.340 5.156 ( 6.093 -5.741 0.000) 8.372 5.212 ( 14.684 -1.282 0.000) 14.740 5.482 ( 0.726 0.225 0.000) 0.760 5.734 ( 20.620 -1.332 0.000) 20.663 5.878 ( 5.191 -1.880 0.000) 5.521 6.013 ( -1.140 -0.347 -0.000) 1.192 6.049 ( 8.289 -2.911 0.000) 8.785 6.202 ( -15.082 -3.660 -0.000) 15.520 6.308 ( 4.632 1.112 0.000) 4.764 6.393 ( -1.239 1.068 -0.000) 1.636 6.481 ( -4.748 -5.311 0.000) 7.124 6.718 ( 5.472 4.234 -0.000) 6.919 6.814 ( -3.103 -4.687 0.000) 5.621 7.151 ( 7.805 9.053 -0.000) 11.953 7.222 ( -22.415 -3.831 -0.000) 22.740 7.392 ( 3.413 -0.168 0.000) 3.418 7.525 ( 6.189 4.535 -0.000) 7.673 7.671 ( 9.598 11.831 -0.000) 15.235 7.766 ( -1.457 3.221 -0.000) 3.535 7.882 ( 11.739 4.463 0.000) 12.558 8.000 ( -2.386 2.366 -0.000) 3.361 8.287 ( -8.499 5.313 -0.000) 10.023 8.629 ( -9.428 -2.864 -0.000) 9.853 8.663 ( -11.133 -5.385 -0.000) 12.367 8.909 ( 6.587 -4.057 0.000) 7.736 9.082 ( -8.870 12.012 -0.000) 14.932 9.118 ( -0.337 2.568 -0.000) 2.590 9.269 ( 2.772 -0.833 0.000) 2.894 9.273 ( 10.531 0.424 0.000) 10.539 9.489 ( 2.923 -3.911 0.000) 4.883 9.751 ( -10.419 -3.688 -0.000) 11.052 10.149 ( 9.191 3.152 0.000) 9.717 10.551 ( -0.357 -2.738 0.000) 2.761 10.765 ( 2.897 -3.362 0.000) 4.438 12.015 ( -0.359 -1.124 0.000) 1.180 12.264 ( 6.440 2.877 0.000) 7.053 12.998 ( 0.594 0.611 -0.000) 0.852 13.059 ( -1.079 -3.297 0.000) 3.469 13.104 ( 1.010 -0.499 0.000) 1.127 13.246 ( -0.847 -5.232 0.000) 5.300 13.288 ( 0.469 -0.223 0.000) 0.519 13.540 ( 0.717 7.731 -0.000) 7.764 13.661 ( 0.685 4.255 -0.000) 4.310 13.795 ( 1.569 2.118 -0.000) 2.635 13.802 ( -3.012 -0.349 -0.000) 3.032 13.923 ( 1.607 -1.203 0.000) 2.007 13.935 ( 3.113 3.264 -0.000) 4.510 14.213 ( 5.835 1.398 0.000) 6.000 14.394 ( 2.706 0.031 0.000) 2.707 14.407 ( 0.926 -12.656 0.000) 12.689 17.289 ( -13.758 -4.608 -0.000) 14.510 17.804 ( -8.721 -1.977 -0.000) 8.943 18.466 ( -2.073 4.426 -0.000) 4.888 18.761 ( 5.849 -9.029 0.000) 10.758 19.167 ( -3.410 6.778 -0.000) 7.588 19.266 ( 0.740 2.182 -0.000) 2.304 ======================= Grid point 25 (24/63) ======================= q-point: ( 0.08 -0.08 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -31.084 -0.000 -0.000) 31.084 0.835 ( -38.502 -0.000 -0.000) 38.502 1.096 ( 1.599 0.000 0.000) 1.599 1.226 ( 14.287 0.000 0.000) 14.287 1.432 ( -61.433 -0.000 -0.000) 61.433 2.074 ( -15.624 -0.000 -0.000) 15.624 2.293 ( -12.190 -0.000 -0.000) 12.190 2.382 ( 18.280 0.000 0.000) 18.280 2.707 ( 5.445 0.000 0.000) 5.445 2.767 ( 2.026 0.000 0.000) 2.026 2.874 ( 2.906 0.000 0.000) 2.906 3.100 ( -0.707 -0.000 -0.000) 0.707 3.120 ( -3.589 -0.000 -0.000) 3.589 3.180 ( 0.643 0.000 0.000) 0.643 3.216 ( -5.967 -0.000 -0.000) 5.967 3.400 ( 3.793 0.000 0.000) 3.793 3.431 ( -13.107 -0.000 -0.000) 13.107 3.715 ( -21.196 -0.000 -0.000) 21.196 3.851 ( 1.902 0.000 0.000) 1.902 3.958 ( -10.639 -0.000 -0.000) 10.639 3.981 ( -1.220 -0.000 -0.000) 1.220 4.242 ( -0.660 -0.000 -0.000) 0.660 4.257 ( 2.959 0.000 0.000) 2.959 4.563 ( -5.222 -0.000 -0.000) 5.222 4.816 ( 0.360 0.000 0.000) 0.360 4.823 ( 20.436 0.000 0.000) 20.436 4.938 ( 5.658 0.000 0.000) 5.658 5.146 ( 3.241 0.000 0.000) 3.241 5.310 ( 6.155 0.000 0.000) 6.155 5.537 ( 12.961 0.000 0.000) 12.961 5.540 ( 5.466 0.000 0.000) 5.466 5.794 ( -18.209 -0.000 -0.000) 18.209 5.956 ( 4.399 0.000 0.000) 4.399 5.983 ( -1.484 -0.000 -0.000) 1.484 6.189 ( 13.834 0.000 0.000) 13.834 6.329 ( -1.134 -0.000 -0.000) 1.134 6.343 ( -2.636 -0.000 -0.000) 2.636 6.378 ( 20.734 0.000 0.000) 20.734 6.416 ( 3.372 0.000 0.000) 3.372 6.432 ( -31.849 -0.000 -0.000) 31.849 6.771 ( -0.752 -0.000 -0.000) 0.752 6.842 ( 2.122 0.000 0.000) 2.122 7.429 ( 6.161 0.000 0.000) 6.161 7.564 ( 10.848 0.000 0.000) 10.848 7.629 ( -11.336 -0.000 -0.000) 11.336 7.715 ( 0.839 0.000 0.000) 0.839 7.787 ( -12.428 -0.000 -0.000) 12.428 8.069 ( 10.423 0.000 0.000) 10.423 8.081 ( 8.169 0.000 0.000) 8.169 8.147 ( -13.193 -0.000 -0.000) 13.193 8.398 ( -7.227 -0.000 -0.000) 7.227 8.533 ( 0.829 0.000 0.000) 0.829 9.042 ( 8.018 0.000 0.000) 8.018 9.139 ( -6.241 -0.000 -0.000) 6.241 9.153 ( 1.082 0.000 0.000) 1.082 9.262 ( 0.318 0.000 0.000) 0.318 9.449 ( 5.557 0.000 0.000) 5.557 9.527 ( 3.006 0.000 0.000) 3.006 9.565 ( -3.978 -0.000 -0.000) 3.978 10.413 ( -4.747 -0.000 -0.000) 4.747 10.465 ( 9.251 0.000 0.000) 9.251 10.667 ( -2.077 -0.000 -0.000) 2.077 12.026 ( 1.692 0.000 0.000) 1.692 12.488 ( 8.134 0.000 0.000) 8.134 12.979 ( -1.678 -0.000 -0.000) 1.678 13.000 ( -0.085 -0.000 -0.000) 0.085 13.093 ( -5.028 -0.000 -0.000) 5.028 13.149 ( 1.922 0.000 0.000) 1.922 13.311 ( 1.080 0.000 0.000) 1.080 13.583 ( -1.834 -0.000 -0.000) 1.834 13.695 ( -1.575 -0.000 -0.000) 1.575 13.817 ( -0.305 -0.000 -0.000) 0.305 13.933 ( 1.190 0.000 0.000) 1.190 13.945 ( 9.408 0.000 0.000) 9.408 14.180 ( 3.934 0.000 0.000) 3.934 14.214 ( -0.796 -0.000 -0.000) 0.796 14.227 ( 2.045 0.000 0.000) 2.045 14.382 ( -3.823 -0.000 -0.000) 3.823 16.931 ( -10.344 -0.000 -0.000) 10.344 17.734 ( 4.735 0.000 0.000) 4.735 18.354 ( -12.341 -0.000 -0.000) 12.341 18.762 ( 3.396 0.000 0.000) 3.396 19.185 ( -1.547 -0.000 -0.000) 1.547 19.306 ( -0.284 -0.000 -0.000) 0.284 ======================= Grid point 26 (25/63) ======================= q-point: ( 0.08 -0.28 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -24.214 11.897 -10.199) 28.842 1.130 ( -13.644 18.615 -11.451) 25.764 1.297 ( 0.848 9.628 -9.645) 13.654 1.535 ( 9.176 15.457 -12.299) 21.780 1.989 ( -25.520 12.717 -6.042) 29.146 2.104 ( -9.526 4.212 -4.473) 11.336 2.269 ( -7.867 7.261 -7.170) 12.885 2.504 ( -8.084 2.272 3.420) 9.067 2.633 ( 7.864 4.571 3.261) 9.663 2.869 ( 4.234 2.813 -2.992) 5.899 2.931 ( 2.644 3.983 3.667) 6.025 3.083 ( -1.088 6.867 -1.204) 7.056 3.098 ( -1.610 1.369 -0.102) 2.116 3.101 ( -1.458 -3.818 -0.161) 4.090 3.273 ( -4.018 0.001 -4.987) 6.404 3.351 ( -2.498 -3.799 3.149) 5.530 3.514 ( -5.906 4.452 -0.684) 7.427 3.554 ( -4.713 -6.293 3.626) 8.658 3.822 ( -15.899 -0.400 -4.250) 16.462 3.963 ( -2.075 7.061 6.743) 9.981 4.130 ( -9.350 -6.652 -6.388) 13.133 4.167 ( -5.134 -0.366 7.934) 9.457 4.387 ( 8.456 -6.830 -8.387) 13.730 4.434 ( 14.574 -15.305 -3.005) 21.347 4.692 ( -1.881 0.480 -4.469) 4.873 4.826 ( 4.181 -9.768 -3.384) 11.151 5.071 ( 9.284 1.808 1.455) 9.570 5.181 ( 4.103 5.894 3.574) 8.022 5.381 ( -1.048 -5.309 -3.089) 6.231 5.423 ( 11.933 0.343 0.667) 11.957 5.539 ( 5.185 -0.916 -3.066) 6.093 5.862 ( -9.892 4.944 -0.564) 11.073 5.998 ( 5.018 6.088 2.217) 8.196 6.071 ( -0.236 4.502 -4.445) 6.332 6.164 ( 7.703 -3.396 -4.844) 9.713 6.234 ( 4.763 -3.319 4.145) 7.133 6.326 ( -3.700 -1.894 3.028) 5.143 6.380 ( 0.999 0.208 -1.591) 1.890 6.491 ( 8.328 5.176 -1.960) 9.999 6.664 ( -13.007 12.278 -5.400) 18.684 6.819 ( 2.576 0.074 -0.266) 2.591 6.860 ( -0.678 5.754 0.276) 5.800 7.224 ( -4.451 -17.211 7.893) 19.450 7.322 ( 0.179 -5.348 12.574) 13.665 7.564 ( 4.030 -6.032 -2.246) 7.594 7.648 ( -5.882 0.508 1.426) 6.073 7.843 ( -10.612 3.422 -1.553) 11.257 7.944 ( 7.567 -5.456 4.096) 10.189 8.062 ( 5.611 -2.894 5.057) 8.089 8.075 ( -7.407 -2.461 3.235) 8.449 8.264 ( -10.786 8.766 7.550) 15.817 8.609 ( -5.097 1.817 -2.858) 6.120 8.717 ( -12.747 -8.517 0.543) 15.340 9.092 ( 3.494 0.350 1.619) 3.867 9.114 ( 1.556 0.429 0.559) 1.708 9.272 ( -0.649 0.906 0.840) 1.396 9.450 ( 5.467 0.315 0.130) 5.477 9.535 ( 1.664 0.385 0.738) 1.860 9.587 ( -3.121 4.045 0.265) 5.116 10.182 ( -3.552 -13.578 -0.227) 14.036 10.637 ( 5.815 9.295 0.259) 10.967 10.782 ( 0.785 7.315 1.651) 7.540 12.030 ( 1.097 0.662 -0.060) 1.283 12.358 ( 3.181 -7.918 1.362) 8.641 13.023 ( 1.074 3.246 -0.357) 3.438 13.057 ( -0.393 1.803 -0.812) 2.017 13.134 ( -0.413 1.694 1.329) 2.192 13.196 ( -0.027 5.793 -0.931) 5.867 13.294 ( -1.451 -1.820 -1.023) 2.542 13.507 ( 0.035 -3.843 4.602) 5.996 13.633 ( -0.622 -0.751 -0.105) 0.981 13.790 ( 2.332 -7.940 0.044) 8.276 13.956 ( 1.554 -2.144 -4.394) 5.130 14.005 ( 6.756 -0.533 -5.097) 8.480 14.100 ( 4.455 -4.345 -5.213) 8.118 14.309 ( -2.393 5.348 4.142) 7.175 14.375 ( -2.721 3.148 1.488) 4.420 14.433 ( 11.906 3.164 -1.123) 12.370 17.179 ( -5.486 12.232 -10.865) 17.256 17.794 ( 3.833 -0.770 -4.852) 6.231 18.314 ( -13.427 -6.172 -1.359) 14.840 18.819 ( -5.157 1.794 15.379) 16.319 18.877 ( -2.863 5.543 4.121) 7.477 19.281 ( 0.882 -2.989 -0.040) 3.117 ======================= Grid point 27 (26/63) ======================= q-point: ( 0.08 -0.48 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -12.030 12.462 -6.761) 18.594 1.555 ( 0.188 9.262 -4.112) 10.136 1.766 ( 1.016 4.249 -8.560) 9.610 1.859 ( 0.173 -2.847 -3.770) 4.728 2.143 ( -4.449 6.648 -3.374) 8.682 2.235 ( 0.449 12.514 3.160) 12.915 2.330 ( -2.602 3.236 -2.142) 4.672 2.545 ( -8.802 -3.559 3.870) 10.253 2.708 ( 0.815 -10.354 1.688) 10.523 2.853 ( -5.803 -3.569 5.080) 8.499 3.055 ( 0.789 4.890 -2.522) 5.559 3.057 ( 1.355 2.509 -3.482) 4.501 3.177 ( 2.750 7.482 -1.158) 8.055 3.242 ( 1.497 -0.192 0.679) 1.655 3.368 ( -0.806 1.935 -4.341) 4.820 3.503 ( -5.437 22.541 -2.528) 23.325 3.573 ( -9.451 4.529 -6.510) 12.337 3.656 ( -2.614 6.334 0.685) 6.887 3.756 ( 1.645 -15.461 2.328) 15.722 3.838 ( -10.011 -3.957 -4.576) 11.697 4.018 ( -1.565 0.036 5.689) 5.900 4.126 ( -4.128 -5.089 -3.086) 7.243 4.218 ( 0.536 3.511 4.961) 6.101 4.368 ( 2.576 -12.891 -1.418) 13.222 4.531 ( -1.185 -4.213 -1.397) 4.594 4.715 ( -6.910 -16.055 3.100) 17.752 5.030 ( -2.186 1.100 -7.054) 7.466 5.184 ( 4.538 -0.784 6.221) 7.740 5.332 ( 4.990 5.643 0.296) 7.539 5.437 ( 8.075 -3.825 -1.623) 9.081 5.714 ( 6.183 6.731 -4.902) 10.372 5.911 ( -4.110 -2.098 2.782) 5.388 6.063 ( 2.809 3.390 2.172) 4.909 6.117 ( -0.133 -0.671 1.782) 1.909 6.169 ( 1.033 0.429 -1.006) 1.504 6.229 ( 4.946 -2.101 -1.162) 5.498 6.307 ( -0.490 1.979 -3.550) 4.094 6.436 ( 1.169 2.551 -0.320) 2.824 6.542 ( -0.241 1.249 1.102) 1.683 6.761 ( 1.314 -3.764 3.406) 5.244 6.808 ( 6.854 -1.213 -1.880) 7.210 6.910 ( 3.658 -0.648 5.379) 6.538 7.105 ( 0.984 10.511 -1.508) 10.664 7.176 ( 0.611 1.444 -4.223) 4.505 7.522 ( 6.549 -2.920 4.806) 8.632 7.540 ( -0.461 -4.350 -2.045) 4.829 7.799 ( 5.298 -4.241 -0.503) 6.805 7.864 ( 4.481 -1.909 5.472) 7.325 7.936 ( -12.714 0.166 -1.289) 12.780 7.990 ( -9.888 -2.262 1.797) 10.301 8.371 ( -10.045 8.023 0.022) 12.856 8.536 ( -9.761 -4.254 3.375) 11.170 8.789 ( -3.689 0.698 -8.626) 9.408 8.962 ( -2.264 -1.631 7.233) 7.753 9.194 ( 0.768 1.133 -3.471) 3.731 9.260 ( -0.594 0.022 2.010) 2.096 9.463 ( 4.770 1.323 -0.025) 4.951 9.506 ( 3.476 -1.411 1.241) 3.951 9.724 ( -3.729 10.839 1.484) 11.558 9.933 ( -4.384 -13.393 -2.170) 14.258 10.787 ( 5.427 5.129 -0.371) 7.476 10.843 ( 3.725 1.271 1.307) 4.147 12.072 ( 0.465 3.428 -0.377) 3.480 12.184 ( 0.981 -6.970 0.587) 7.063 13.065 ( -0.093 0.472 -0.803) 0.936 13.092 ( -0.063 0.419 1.398) 1.461 13.147 ( 0.079 1.927 -0.008) 1.928 13.199 ( -0.493 -2.277 0.581) 2.401 13.408 ( 3.169 4.497 0.837) 5.565 13.433 ( 3.547 4.321 0.797) 5.647 13.650 ( -1.417 -0.837 -2.066) 2.642 13.705 ( -1.725 -1.623 -3.078) 3.884 13.930 ( -0.152 -2.630 1.372) 2.970 13.938 ( 1.665 -5.156 1.886) 5.737 14.200 ( 0.557 -0.691 -7.451) 7.504 14.303 ( -3.486 1.089 5.167) 6.328 14.378 ( 4.699 1.539 -0.786) 5.007 14.436 ( 10.102 -0.961 1.590) 10.272 17.642 ( 0.213 12.706 -7.355) 14.683 17.848 ( 1.838 -3.024 -2.169) 4.151 18.244 ( -13.862 -4.289 -8.044) 16.591 18.491 ( -6.863 -1.675 16.470) 17.921 19.042 ( 1.472 7.859 -0.814) 8.037 19.191 ( 1.225 -6.001 0.112) 6.125 ======================= Grid point 30 (27/63) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.000 0.000 30.461) 30.461 0.642 ( -0.000 0.000 34.732) 34.732 0.889 ( -0.000 0.000 47.549) 47.549 1.274 ( -0.000 0.000 15.223) 15.223 1.685 ( -0.000 0.000 0.811) 0.811 1.702 ( -0.000 0.000 8.990) 8.990 2.195 ( 0.000 -0.000 -0.441) 0.441 2.501 ( 0.000 -0.000 -6.444) 6.444 2.748 ( 0.000 -0.000 -3.492) 3.492 2.913 ( 0.000 -0.000 -0.619) 0.619 2.942 ( 0.000 -0.000 -7.995) 7.995 2.977 ( -0.000 0.000 4.280) 4.280 3.096 ( 0.000 -0.000 -1.740) 1.740 3.099 ( -0.000 0.000 2.949) 2.949 3.265 ( -0.000 0.000 1.401) 1.401 3.344 ( -0.000 0.000 3.106) 3.106 3.431 ( -0.000 0.000 8.622) 8.622 3.523 ( 0.000 -0.000 -1.813) 1.813 3.542 ( 0.000 -0.000 -8.474) 8.474 3.931 ( 0.000 -0.000 -6.106) 6.106 4.094 ( -0.000 0.000 13.848) 13.848 4.108 ( 0.000 -0.000 -10.576) 10.576 4.596 ( -0.000 0.000 7.468) 7.468 4.826 ( 0.000 -0.000 -1.256) 1.256 5.024 ( -0.000 0.000 1.998) 1.998 5.147 ( 0.000 -0.000 -2.126) 2.126 5.158 ( -0.000 0.000 2.041) 2.041 5.393 ( 0.000 -0.000 -9.252) 9.252 5.478 ( -0.000 0.000 3.320) 3.320 5.482 ( -0.000 0.000 5.752) 5.752 5.585 ( 0.000 -0.000 -1.856) 1.856 5.747 ( -0.000 0.000 1.462) 1.462 5.825 ( -0.000 0.000 3.328) 3.328 5.992 ( 0.000 -0.000 -1.664) 1.664 6.076 ( -0.000 0.000 6.257) 6.257 6.218 ( 0.000 -0.000 -2.381) 2.381 6.221 ( -0.000 0.000 1.786) 1.786 6.354 ( -0.000 0.000 3.880) 3.880 6.444 ( -0.000 0.000 0.847) 0.847 6.658 ( 0.000 -0.000 -2.547) 2.547 6.734 ( 0.000 -0.000 -1.088) 1.088 6.855 ( -0.000 0.000 1.983) 1.983 6.877 ( -0.000 0.000 3.211) 3.211 7.457 ( 0.000 -0.000 -3.806) 3.806 7.458 ( -0.000 0.000 1.555) 1.555 7.672 ( 0.000 -0.000 -4.587) 4.587 7.778 ( -0.000 0.000 2.706) 2.706 7.792 ( 0.000 -0.000 -2.570) 2.570 7.852 ( 0.000 -0.000 -1.986) 1.986 8.168 ( 0.000 -0.000 -1.811) 1.811 8.212 ( -0.000 0.000 0.140) 0.140 8.472 ( 0.000 -0.000 -2.325) 2.325 8.660 ( -0.000 0.000 5.040) 5.040 9.120 ( 0.000 -0.000 -5.287) 5.287 9.143 ( -0.000 0.000 0.262) 0.262 9.257 ( 0.000 -0.000 -0.863) 0.863 9.501 ( 0.000 -0.000 -0.995) 0.995 9.526 ( -0.000 0.000 0.001) 0.001 9.573 ( -0.000 0.000 1.410) 1.410 10.310 ( 0.000 -0.000 -0.789) 0.789 10.556 ( -0.000 0.000 0.939) 0.939 10.668 ( -0.000 0.000 1.310) 1.310 12.047 ( 0.000 -0.000 -0.154) 0.154 12.512 ( 0.000 -0.000 -0.709) 0.709 12.953 ( 0.000 -0.000 -0.513) 0.513 13.015 ( 0.000 -0.000 -0.908) 0.908 13.079 ( 0.000 -0.000 -0.710) 0.710 13.181 ( -0.000 0.000 0.865) 0.865 13.332 ( -0.000 0.000 0.884) 0.884 13.541 ( 0.000 -0.000 -3.489) 3.489 13.632 ( 0.000 -0.000 -3.062) 3.062 13.936 ( 0.000 -0.000 -1.118) 1.118 14.103 ( -0.000 0.000 0.218) 0.218 14.108 ( 0.000 -0.000 -4.829) 4.829 14.165 ( 0.000 -0.000 -2.438) 2.438 14.252 ( -0.000 0.000 1.331) 1.331 14.264 ( -0.000 0.000 0.615) 0.615 14.725 ( 0.000 -0.000 -0.038) 0.038 16.960 ( -0.000 0.000 14.406) 14.406 17.940 ( -0.000 0.000 3.583) 3.583 18.010 ( 0.000 -0.000 -10.069) 10.069 18.481 ( -0.000 0.000 7.489) 7.489 18.823 ( -0.000 0.000 2.771) 2.771 19.303 ( -0.000 0.000 0.551) 0.551 ======================= Grid point 31 (28/63) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -0.000 31.103 -0.000) 31.103 0.787 ( -0.000 38.709 -0.000) 38.709 1.209 ( -0.000 7.523 -0.000) 7.523 1.214 ( -0.000 59.247 -0.000) 59.247 1.721 ( -0.000 10.405 -0.000) 10.405 1.833 ( -0.000 14.507 -0.000) 14.507 2.226 ( -0.000 5.750 -0.000) 5.750 2.448 ( 0.000 -9.472 0.000) 9.472 2.867 ( -0.000 5.204 -0.000) 5.204 3.015 ( 0.000 -9.174 0.000) 9.174 3.039 ( 0.000 -13.528 0.000) 13.528 3.044 ( -0.000 9.758 -0.000) 9.758 3.077 ( -0.000 15.109 -0.000) 15.109 3.077 ( -0.000 2.070 -0.000) 2.070 3.080 ( -0.000 1.417 -0.000) 1.417 3.154 ( 0.000 -6.169 0.000) 6.169 3.435 ( -0.000 0.388 -0.000) 0.388 3.557 ( -0.000 2.819 -0.000) 2.819 3.785 ( 0.000 -7.704 0.000) 7.704 3.832 ( -0.000 1.840 -0.000) 1.840 3.964 ( 0.000 -2.571 0.000) 2.571 4.246 ( -0.000 3.913 -0.000) 3.913 4.310 ( -0.000 1.762 -0.000) 1.762 4.570 ( -0.000 6.648 -0.000) 6.648 4.727 ( 0.000 -7.790 0.000) 7.790 4.918 ( 0.000 -18.504 0.000) 18.504 4.977 ( 0.000 -33.956 0.000) 33.956 5.254 ( -0.000 7.916 -0.000) 7.916 5.537 ( -0.000 9.048 -0.000) 9.048 5.539 ( -0.000 1.076 -0.000) 1.076 5.597 ( 0.000 -8.854 0.000) 8.854 5.835 ( -0.000 2.187 -0.000) 2.187 5.898 ( -0.000 7.490 -0.000) 7.490 6.109 ( -0.000 9.211 -0.000) 9.211 6.200 ( -0.000 0.191 -0.000) 0.191 6.262 ( -0.000 15.267 -0.000) 15.267 6.307 ( 0.000 -1.257 0.000) 1.257 6.392 ( -0.000 2.541 -0.000) 2.541 6.439 ( -0.000 1.077 -0.000) 1.077 6.678 ( 0.000 -2.128 0.000) 2.128 6.836 ( -0.000 0.370 -0.000) 0.370 6.913 ( -0.000 7.486 -0.000) 7.486 7.087 ( 0.000 -14.496 0.000) 14.496 7.458 ( 0.000 -5.953 0.000) 5.953 7.469 ( -0.000 2.358 -0.000) 2.358 7.624 ( 0.000 -0.780 0.000) 0.780 7.798 ( 0.000 -1.539 0.000) 1.539 7.866 ( 0.000 -0.614 0.000) 0.614 8.144 ( 0.000 -4.246 0.000) 4.246 8.219 ( -0.000 4.518 -0.000) 4.518 8.245 ( -0.000 2.428 -0.000) 2.428 8.500 ( 0.000 -4.871 0.000) 4.871 8.501 ( -0.000 0.420 -0.000) 0.420 9.150 ( 0.000 -1.805 0.000) 1.805 9.155 ( 0.000 -1.709 0.000) 1.709 9.269 ( -0.000 0.167 -0.000) 0.167 9.516 ( -0.000 0.660 -0.000) 0.660 9.563 ( -0.000 0.174 -0.000) 0.174 9.564 ( -0.000 5.307 -0.000) 5.307 10.118 ( 0.000 -15.151 0.000) 15.151 10.770 ( -0.000 6.824 -0.000) 6.824 10.789 ( -0.000 8.418 -0.000) 8.418 12.044 ( 0.000 -0.040 0.000) 0.040 12.389 ( 0.000 -10.129 0.000) 10.129 13.007 ( -0.000 0.668 -0.000) 0.668 13.061 ( -0.000 7.471 -0.000) 7.471 13.134 ( -0.000 10.610 -0.000) 10.610 13.176 ( -0.000 0.481 -0.000) 0.481 13.262 ( 0.000 -5.458 0.000) 5.458 13.542 ( 0.000 -1.826 0.000) 1.826 13.629 ( 0.000 -3.980 0.000) 3.980 13.813 ( -0.000 0.014 -0.000) 0.014 13.827 ( 0.000 -8.984 0.000) 8.984 14.171 ( -0.000 0.581 -0.000) 0.581 14.182 ( 0.000 -3.902 0.000) 3.902 14.216 ( -0.000 7.565 -0.000) 7.565 14.248 ( 0.000 -0.747 0.000) 0.747 14.692 ( 0.000 -3.282 0.000) 3.282 17.010 ( -0.000 18.565 -0.000) 18.565 17.852 ( 0.000 -4.964 0.000) 4.964 18.096 ( 0.000 -3.263 0.000) 3.263 18.872 ( -0.000 6.758 -0.000) 6.758 18.922 ( 0.000 -4.829 0.000) 4.829 19.383 ( 0.000 -1.350 0.000) 1.350 ======================= Grid point 32 (29/63) ======================= q-point: ( 0.10 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.000 23.548 -3.372) 23.788 1.489 ( -0.000 11.151 -7.238) 13.294 1.590 ( -0.000 27.281 -6.103) 27.955 1.895 ( -0.000 7.514 5.051) 9.054 2.133 ( -0.000 27.977 2.746) 28.112 2.210 ( 0.000 -6.321 6.024) 8.732 2.219 ( -0.000 14.926 0.228) 14.928 2.660 ( 0.000 -16.879 3.577) 17.254 2.682 ( -0.000 21.750 -13.682) 25.696 2.850 ( 0.000 -9.672 4.423) 10.635 2.854 ( -0.000 6.877 4.906) 8.448 3.051 ( 0.000 -8.667 -9.895) 13.154 3.110 ( 0.000 0.957 -4.956) 5.047 3.202 ( 0.000 1.036 -5.948) 6.038 3.341 ( -0.000 15.961 2.225) 16.116 3.393 ( 0.000 -3.023 -1.587) 3.415 3.497 ( -0.000 22.198 -0.837) 22.214 3.628 ( 0.000 -3.928 -1.419) 4.177 3.694 ( -0.000 8.223 1.582) 8.373 3.718 ( 0.000 -18.490 -5.519) 19.296 3.904 ( -0.000 1.247 -2.101) 2.444 4.208 ( -0.000 2.559 10.135) 10.453 4.319 ( 0.000 -29.231 -3.650) 29.458 4.391 ( 0.000 -2.412 -2.380) 3.389 4.504 ( 0.000 -19.153 0.128) 19.153 4.630 ( -0.000 4.459 6.152) 7.598 4.864 ( -0.000 5.675 -8.326) 10.077 5.349 ( 0.000 -11.449 2.905) 11.812 5.419 ( -0.000 11.095 2.837) 11.452 5.541 ( -0.000 -0.896 2.080) 2.265 5.752 ( -0.000 7.964 -3.013) 8.515 5.853 ( -0.000 0.915 0.445) 1.017 6.001 ( -0.000 1.708 0.242) 1.725 6.211 ( 0.000 -2.373 3.085) 3.892 6.268 ( -0.000 5.813 -1.516) 6.007 6.317 ( 0.000 -3.720 0.288) 3.731 6.321 ( -0.000 6.047 -4.013) 7.257 6.404 ( -0.000 3.216 6.510) 7.261 6.457 ( 0.000 -7.928 2.654) 8.360 6.776 ( -0.000 5.163 -8.842) 10.239 6.849 ( -0.000 0.696 1.128) 1.326 6.956 ( -0.000 5.931 -2.029) 6.268 7.118 ( -0.000 12.286 -0.340) 12.291 7.210 ( 0.000 -9.971 3.149) 10.457 7.511 ( -0.000 0.228 0.120) 0.258 7.625 ( 0.000 -2.629 -1.151) 2.870 7.766 ( -0.000 0.599 1.165) 1.310 7.808 ( 0.000 -1.801 2.606) 3.168 7.992 ( 0.000 -7.792 2.129) 8.077 8.097 ( -0.000 -4.706 10.194) 11.228 8.257 ( -0.000 4.967 1.701) 5.250 8.458 ( 0.000 -4.173 2.006) 4.630 8.571 ( 0.000 -1.391 -10.774) 10.864 9.052 ( 0.000 -2.625 5.181) 5.809 9.143 ( 0.000 -0.538 -2.334) 2.395 9.271 ( 0.000 -0.094 -0.018) 0.095 9.533 ( -0.000 1.840 0.718) 1.975 9.549 ( 0.000 -2.006 0.318) 2.031 9.729 ( -0.000 12.401 2.072) 12.573 9.832 ( 0.000 -13.915 -2.087) 14.071 10.864 ( -0.000 4.614 1.574) 4.876 10.897 ( -0.000 2.107 0.561) 2.181 12.073 ( -0.000 3.251 -0.239) 3.260 12.196 ( 0.000 -8.075 0.033) 8.075 13.047 ( 0.000 0.139 -1.765) 1.770 13.122 ( 0.000 -2.069 1.853) 2.778 13.171 ( 0.000 -2.955 -0.853) 3.076 13.185 ( -0.000 2.456 1.546) 2.902 13.414 ( -0.000 11.326 -2.272) 11.552 13.493 ( -0.000 1.188 0.466) 1.276 13.599 ( 0.000 -1.568 -2.669) 3.095 13.647 ( 0.000 -5.044 0.607) 5.081 13.909 ( 0.000 -2.677 -5.024) 5.692 14.080 ( 0.000 -4.449 6.059) 7.517 14.088 ( 0.000 -5.904 -3.941) 7.099 14.259 ( 0.000 0.255 -1.925) 1.942 14.383 ( -0.000 6.353 -2.087) 6.687 14.593 ( 0.000 -5.483 0.746) 5.534 17.547 ( -0.000 23.839 -4.265) 24.218 17.810 ( 0.000 -3.286 -8.309) 8.935 17.985 ( 0.000 -5.646 2.582) 6.208 18.663 ( -0.000 -5.246 12.444) 13.504 19.039 ( -0.000 8.292 -0.653) 8.318 19.277 ( -0.000 -1.746 5.301) 5.581 ======================= Grid point 33 (30/63) ======================= q-point: ( 0.10 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 -4.413 16.504) 17.084 1.657 ( -0.000 12.346 -3.180) 12.749 1.846 ( 0.000 12.530 -4.825) 13.427 1.896 ( 0.000 -5.324 11.441) 12.619 2.238 ( -0.000 -10.525 13.148) 16.842 2.255 ( 0.000 -4.948 2.487) 5.538 2.359 ( -0.000 -10.414 7.349) 12.746 2.472 ( 0.000 2.742 -4.865) 5.585 2.548 ( 0.000 12.759 -2.430) 12.989 2.683 ( 0.000 14.705 0.683) 14.721 3.039 ( -0.000 -8.514 -2.153) 8.782 3.154 ( -0.000 2.505 -1.742) 3.051 3.173 ( -0.000 -8.988 -2.611) 9.359 3.376 ( 0.000 -20.364 -5.118) 20.998 3.396 ( 0.000 8.749 1.178) 8.828 3.437 ( -0.000 -11.839 0.771) 11.864 3.562 ( 0.000 -7.023 -0.715) 7.060 3.564 ( 0.000 -4.966 5.846) 7.670 3.635 ( 0.000 -2.666 -10.328) 10.666 3.878 ( -0.000 17.639 6.035) 18.643 4.063 ( 0.000 10.949 5.746) 12.365 4.066 ( -0.000 -9.175 6.725) 11.376 4.249 ( -0.000 6.928 -13.599) 15.262 4.299 ( -0.000 10.909 -5.750) 12.332 4.463 ( 0.000 11.846 -1.775) 11.979 4.694 ( -0.000 17.584 10.860) 20.667 5.080 ( 0.000 4.124 -7.607) 8.653 5.088 ( 0.000 -8.822 1.561) 8.960 5.419 ( -0.000 -4.268 4.723) 6.366 5.584 ( 0.000 10.289 3.430) 10.846 5.849 ( -0.000 -1.196 1.106) 1.629 5.850 ( -0.000 -0.905 1.104) 1.428 6.061 ( -0.000 -6.785 3.762) 7.758 6.079 ( -0.000 3.739 -3.959) 5.446 6.218 ( -0.000 -8.250 -1.242) 8.343 6.241 ( -0.000 -1.870 -0.814) 2.040 6.266 ( -0.000 -2.029 -0.654) 2.131 6.458 ( 0.000 5.817 1.211) 5.941 6.651 ( 0.000 11.129 -6.485) 12.881 6.671 ( -0.000 -7.555 10.269) 12.749 6.973 ( 0.000 -1.726 0.034) 1.726 6.995 ( 0.000 3.562 -2.585) 4.401 7.153 ( -0.000 -6.975 1.823) 7.210 7.266 ( 0.000 -4.542 4.156) 6.157 7.532 ( 0.000 6.137 -4.211) 7.443 7.534 ( 0.000 -0.783 1.829) 1.990 7.742 ( 0.000 -1.316 0.719) 1.500 7.794 ( -0.000 3.595 1.844) 4.040 7.895 ( -0.000 1.357 -2.208) 2.591 7.912 ( -0.000 0.200 -0.029) 0.202 8.238 ( -0.000 -13.559 0.814) 13.584 8.346 ( -0.000 1.461 -3.490) 3.783 8.764 ( -0.000 1.245 -10.004) 10.081 8.896 ( 0.000 -0.925 7.307) 7.365 9.206 ( 0.000 0.937 -2.855) 3.005 9.252 ( 0.000 0.057 2.344) 2.345 9.491 ( -0.000 -3.181 -0.984) 3.330 9.562 ( 0.000 2.457 0.823) 2.592 9.647 ( -0.000 -9.399 -2.128) 9.637 9.940 ( 0.000 13.178 3.108) 13.540 10.850 ( 0.000 -5.464 0.441) 5.482 10.880 ( 0.000 -1.552 0.167) 1.561 12.083 ( -0.000 -3.326 0.173) 3.330 12.189 ( 0.000 7.681 -0.359) 7.689 13.056 ( 0.000 -1.872 -0.329) 1.901 13.072 ( 0.000 -0.374 -1.132) 1.193 13.114 ( -0.000 -4.210 -1.489) 4.466 13.218 ( -0.000 3.938 1.651) 4.270 13.412 ( 0.000 -7.827 -2.487) 8.212 13.471 ( -0.000 -10.092 -1.472) 10.198 13.661 ( 0.000 8.024 1.136) 8.104 13.771 ( -0.000 2.835 4.404) 5.238 13.868 ( 0.000 4.090 -4.539) 6.110 13.932 ( 0.000 1.159 2.534) 2.787 14.146 ( -0.000 -2.815 -7.955) 8.438 14.270 ( -0.000 -0.785 0.434) 0.897 14.462 ( 0.000 -6.302 0.779) 6.350 14.538 ( 0.000 5.791 -1.686) 6.031 17.774 ( -0.000 -8.006 6.397) 10.248 17.778 ( -0.000 -2.041 -7.864) 8.124 18.213 ( 0.000 17.446 -6.828) 18.735 18.298 ( 0.000 -5.343 14.451) 15.407 19.126 ( 0.000 -3.840 5.120) 6.400 19.196 ( 0.000 6.269 -0.229) 6.274 ======================= Grid point 34 (31/63) ======================= q-point: ( 0.10 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 -2.811 25.008) 25.165 1.432 ( 0.000 -15.609 25.108) 29.564 1.572 ( -0.000 -3.232 13.489) 13.871 1.801 ( 0.000 -14.330 14.399) 20.315 1.885 ( -0.000 1.413 7.740) 7.868 2.036 ( 0.000 -10.886 8.408) 13.755 2.224 ( -0.000 8.297 -10.765) 13.591 2.436 ( 0.000 -25.531 16.546) 30.424 2.718 ( 0.000 -1.307 -4.725) 4.902 2.799 ( -0.000 5.319 -4.420) 6.916 2.987 ( -0.000 9.215 -3.405) 9.824 3.021 ( 0.000 -11.267 -2.552) 11.552 3.135 ( 0.000 -9.434 -0.355) 9.441 3.151 ( 0.000 -2.771 -2.503) 3.734 3.181 ( 0.000 -1.187 2.036) 2.356 3.369 ( -0.000 -0.149 3.387) 3.390 3.482 ( -0.000 3.850 4.509) 5.929 3.539 ( 0.000 -5.168 -0.533) 5.195 3.755 ( -0.000 -0.576 11.225) 11.240 3.822 ( 0.000 -3.845 -4.630) 6.019 3.842 ( 0.000 -0.182 -11.937) 11.938 4.194 ( -0.000 11.210 9.076) 14.423 4.653 ( -0.000 11.763 -4.660) 12.652 4.724 ( -0.000 20.404 5.963) 21.258 4.746 ( -0.000 1.976 0.651) 2.081 4.984 ( -0.000 24.607 -0.195) 24.608 5.005 ( -0.000 6.324 0.469) 6.341 5.241 ( 0.000 -4.120 4.232) 5.907 5.324 ( -0.000 4.524 -7.269) 8.562 5.674 ( -0.000 5.102 4.008) 6.488 5.687 ( 0.000 -6.083 6.713) 9.059 5.788 ( 0.000 -3.811 -0.852) 3.905 5.939 ( 0.000 -4.596 0.463) 4.619 6.046 ( 0.000 -7.686 -1.431) 7.818 6.156 ( 0.000 -0.556 -2.767) 2.822 6.282 ( 0.000 -3.767 -0.572) 3.810 6.283 ( 0.000 -3.788 -1.760) 4.177 6.427 ( -0.000 1.638 3.805) 4.142 6.476 ( 0.000 -1.618 1.994) 2.568 6.782 ( 0.000 -8.040 7.372) 10.909 6.866 ( 0.000 -1.368 -2.545) 2.889 6.914 ( 0.000 -5.403 4.330) 6.924 6.961 ( 0.000 -4.042 0.995) 4.163 7.235 ( -0.000 6.411 -5.690) 8.572 7.507 ( -0.000 -0.796 1.840) 2.005 7.707 ( 0.000 -0.462 -5.916) 5.934 7.737 ( 0.000 -0.544 -2.575) 2.632 7.751 ( 0.000 -1.744 3.492) 3.903 7.916 ( 0.000 -7.880 -2.489) 8.264 8.058 ( -0.000 5.498 -4.140) 6.883 8.165 ( -0.000 3.987 -3.248) 5.143 8.423 ( 0.000 -0.836 -4.129) 4.213 8.755 ( -0.000 1.069 7.751) 7.825 8.968 ( 0.000 1.269 -9.100) 9.188 9.190 ( 0.000 -1.704 2.160) 2.752 9.248 ( 0.000 -0.511 -1.226) 1.328 9.481 ( 0.000 -0.710 -1.843) 1.975 9.536 ( 0.000 -3.447 -0.584) 3.496 9.589 ( -0.000 1.415 1.111) 1.799 10.148 ( -0.000 11.976 1.303) 12.047 10.690 ( 0.000 -9.011 0.155) 9.013 10.793 ( 0.000 -6.229 0.702) 6.269 12.046 ( 0.000 -0.409 0.118) 0.426 12.376 ( -0.000 9.417 -0.639) 9.439 13.033 ( 0.000 -6.038 -0.881) 6.102 13.049 ( 0.000 -1.499 -1.436) 2.076 13.062 ( 0.000 -3.645 -1.605) 3.983 13.262 ( 0.000 -6.383 2.066) 6.709 13.285 ( -0.000 5.303 0.973) 5.392 13.406 ( 0.000 0.148 -6.088) 6.090 13.654 ( 0.000 -3.001 2.022) 3.619 13.826 ( -0.000 8.971 0.467) 8.984 13.984 ( -0.000 2.963 -1.297) 3.234 14.047 ( 0.000 -1.187 -5.796) 5.916 14.226 ( -0.000 1.788 -2.264) 2.885 14.238 ( -0.000 -0.054 1.361) 1.362 14.311 ( 0.000 -6.625 1.291) 6.750 14.670 ( -0.000 4.679 -0.769) 4.742 17.386 ( 0.000 -10.200 15.471) 18.531 17.892 ( 0.000 -4.885 -11.813) 12.783 18.025 ( -0.000 0.358 8.596) 8.603 18.533 ( -0.000 6.766 -0.491) 6.783 18.948 ( 0.000 -4.303 4.813) 6.456 19.288 ( -0.000 2.840 0.204) 2.848 ======================= Grid point 35 (32/63) ======================= q-point: ( 0.12 0.28 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.015 0.000 18.831) 18.831 1.247 ( 9.986 0.000 17.110) 19.811 1.565 ( -3.292 0.000 20.675) 20.935 1.686 ( 7.118 0.000 23.764) 24.808 2.053 ( 11.720 0.000 8.738) 14.619 2.184 ( 18.122 0.000 2.381) 18.278 2.324 ( -0.442 -0.000 -10.285) 10.294 2.402 ( 26.042 0.000 16.405) 30.778 2.556 ( -14.224 -0.000 1.431) 14.296 2.780 ( -1.597 -0.000 -3.296) 3.662 2.866 ( -4.232 -0.000 1.982) 4.673 2.989 ( 6.290 0.000 -1.038) 6.375 3.095 ( -1.805 -0.000 -1.384) 2.274 3.128 ( 2.643 0.000 -6.406) 6.930 3.255 ( 6.378 0.000 3.538) 7.294 3.455 ( -3.477 -0.000 5.826) 6.785 3.474 ( 7.328 0.000 0.232) 7.331 3.611 ( 7.810 0.000 -3.594) 8.597 3.694 ( 0.856 -0.000 -5.379) 5.447 3.943 ( 14.005 0.000 8.329) 16.295 4.034 ( 8.432 0.000 -9.608) 12.784 4.402 ( 4.916 0.000 10.000) 11.143 4.615 ( -9.870 -0.000 0.432) 9.879 4.689 ( -9.533 -0.000 -5.523) 11.017 4.749 ( -16.463 -0.000 8.453) 18.507 4.894 ( -11.616 -0.000 1.608) 11.727 5.052 ( -7.937 -0.000 4.407) 9.079 5.088 ( -1.641 -0.000 -2.311) 2.835 5.354 ( -13.609 -0.000 -5.590) 14.713 5.550 ( -5.255 -0.000 10.338) 11.597 5.642 ( -7.516 -0.000 3.103) 8.132 5.834 ( 13.220 0.000 2.313) 13.420 5.908 ( -3.559 -0.000 -0.867) 3.663 6.142 ( -4.039 -0.000 3.164) 5.131 6.225 ( 12.072 0.000 -4.024) 12.725 6.227 ( 1.908 0.000 -3.291) 3.804 6.323 ( -6.481 -0.000 3.665) 7.445 6.423 ( -1.228 0.000 4.284) 4.456 6.452 ( -2.074 -0.000 1.011) 2.307 6.677 ( 6.174 0.000 7.920) 10.042 6.736 ( 0.539 -0.000 -1.842) 1.919 6.854 ( -5.697 -0.000 -1.472) 5.884 7.064 ( 14.738 0.000 -11.536) 18.716 7.383 ( 6.379 0.000 -4.932) 8.064 7.465 ( -4.866 -0.000 -3.630) 6.071 7.659 ( -5.947 -0.000 -3.610) 6.957 7.783 ( 17.910 0.000 1.092) 17.943 7.891 ( 3.168 0.000 -7.872) 8.486 7.968 ( 8.330 0.000 0.941) 8.383 8.088 ( -6.972 -0.000 0.148) 6.974 8.132 ( 2.845 0.000 -1.064) 3.038 8.567 ( 9.785 0.000 -3.307) 10.328 8.838 ( 6.590 0.000 4.976) 8.257 9.005 ( 2.453 -0.000 -8.776) 9.112 9.089 ( -5.593 -0.000 2.182) 6.003 9.253 ( 0.671 0.000 -0.035) 0.672 9.419 ( -5.030 -0.000 -2.013) 5.418 9.554 ( 3.056 0.000 -0.331) 3.073 9.561 ( -3.762 -0.000 1.315) 3.986 10.361 ( 5.992 0.000 -1.341) 6.140 10.513 ( -8.821 -0.000 2.592) 9.194 10.684 ( 0.360 0.000 1.003) 1.066 12.024 ( -1.500 -0.000 -0.011) 1.500 12.423 ( -6.163 -0.000 -1.261) 6.291 12.960 ( 1.360 0.000 -0.493) 1.447 13.044 ( 3.199 0.000 -1.576) 3.566 13.061 ( 0.644 0.000 -0.816) 1.040 13.181 ( -1.517 -0.000 1.257) 1.970 13.358 ( 0.184 0.000 2.054) 2.062 13.417 ( 0.185 -0.000 -8.982) 8.984 13.633 ( 1.686 0.000 0.982) 1.951 13.895 ( -1.952 -0.000 -1.413) 2.410 13.911 ( -6.990 -0.000 -0.874) 7.044 14.108 ( -0.982 -0.000 -4.331) 4.441 14.160 ( 2.845 0.000 -1.702) 3.315 14.238 ( -1.349 -0.000 -0.389) 1.404 14.268 ( -3.019 -0.000 1.182) 3.242 14.488 ( -11.493 -0.000 4.744) 12.433 17.358 ( 6.714 0.000 18.142) 19.345 17.876 ( -0.328 -0.000 0.930) 0.986 18.350 ( 26.766 0.000 -5.970) 27.424 18.567 ( -2.899 -0.000 -1.393) 3.216 18.841 ( -5.585 -0.000 4.559) 7.209 19.329 ( 0.626 0.000 1.183) 1.338 ======================= Grid point 37 (33/63) ======================= q-point: ( 0.12 -0.12 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 8.654 10.474 -0.000) 13.586 1.433 ( 1.992 18.045 -0.000) 18.155 1.567 ( 6.477 32.280 -0.000) 32.923 1.848 ( -12.031 22.622 -0.000) 25.622 2.012 ( -6.967 -1.072 -0.000) 7.049 2.315 ( 4.552 7.931 -0.000) 9.145 2.557 ( -1.783 -1.739 0.000) 2.490 2.577 ( 19.406 16.735 -0.000) 25.625 2.697 ( 7.078 -1.287 0.000) 7.194 2.866 ( 4.950 12.608 -0.000) 13.545 2.953 ( 0.262 0.164 -0.000) 0.309 2.984 ( -0.919 -4.505 0.000) 4.598 3.020 ( -3.971 -7.838 0.000) 8.787 3.276 ( 8.653 1.412 0.000) 8.768 3.282 ( 4.391 -1.625 0.000) 4.682 3.441 ( -1.403 18.652 -0.000) 18.704 3.524 ( -0.113 -2.065 0.000) 2.068 3.609 ( -1.128 11.291 -0.000) 11.347 3.778 ( 4.640 -21.131 0.000) 21.635 3.794 ( 19.273 3.413 0.000) 19.573 4.049 ( 10.107 -4.943 0.000) 11.251 4.080 ( -5.416 -9.845 0.000) 11.237 4.333 ( -1.957 3.744 -0.000) 4.225 4.411 ( 2.344 3.200 -0.000) 3.967 4.580 ( -1.531 -8.667 0.000) 8.801 4.717 ( -0.994 7.459 -0.000) 7.525 4.769 ( 7.802 -17.296 0.000) 18.974 5.263 ( -9.254 -8.608 0.000) 12.638 5.436 ( -2.382 8.001 -0.000) 8.348 5.441 ( -8.941 8.036 -0.000) 12.022 5.644 ( -7.501 8.449 -0.000) 11.298 5.927 ( 8.892 1.860 0.000) 9.085 6.033 ( -9.806 -3.877 -0.000) 10.545 6.151 ( -9.981 5.207 -0.000) 11.257 6.152 ( 5.328 4.250 -0.000) 6.816 6.212 ( -6.737 -4.793 0.000) 8.268 6.290 ( -3.266 -1.617 -0.000) 3.644 6.372 ( 0.756 0.348 0.000) 0.832 6.604 ( -1.132 7.903 -0.000) 7.984 6.785 ( -6.781 -0.477 -0.000) 6.798 6.854 ( 10.238 -4.839 0.000) 11.324 6.984 ( 6.339 11.471 -0.000) 13.106 7.112 ( 0.783 6.459 -0.000) 6.506 7.220 ( -0.916 -13.905 0.000) 13.935 7.414 ( -2.917 -3.465 0.000) 4.529 7.663 ( 0.649 -1.857 0.000) 1.967 7.852 ( -13.127 -8.702 0.000) 15.750 7.880 ( 7.097 1.069 0.000) 7.177 7.993 ( 10.772 -2.785 0.000) 11.127 8.093 ( -11.803 -3.344 -0.000) 12.267 8.413 ( 6.400 -6.001 0.000) 8.773 8.477 ( 11.832 0.252 0.000) 11.834 8.629 ( 9.489 -2.231 0.000) 9.748 9.101 ( -0.391 -1.665 0.000) 1.710 9.114 ( -1.389 1.242 -0.000) 1.863 9.289 ( 1.477 0.150 0.000) 1.485 9.449 ( -6.518 -0.092 -0.000) 6.518 9.569 ( -0.289 0.484 -0.000) 0.564 9.748 ( 2.199 8.750 -0.000) 9.022 9.908 ( 6.564 -10.547 0.000) 12.423 10.786 ( -6.331 4.618 -0.000) 7.836 10.892 ( -3.486 0.330 -0.000) 3.502 12.059 ( -0.893 2.517 -0.000) 2.671 12.204 ( 0.353 -7.087 0.000) 7.096 13.007 ( -1.197 -0.497 -0.000) 1.296 13.128 ( -0.482 -0.919 0.000) 1.038 13.139 ( -1.214 2.233 -0.000) 2.542 13.236 ( 2.320 -0.936 0.000) 2.501 13.388 ( -1.682 5.321 -0.000) 5.581 13.460 ( -2.458 -4.691 0.000) 5.296 13.586 ( 0.367 0.024 0.000) 0.368 13.694 ( 3.818 0.976 0.000) 3.940 13.801 ( -1.340 -0.569 -0.000) 1.456 13.960 ( -4.721 -3.181 0.000) 5.693 14.070 ( -6.279 2.024 -0.000) 6.597 14.369 ( -3.087 -0.802 -0.000) 3.189 14.379 ( 10.039 -3.552 0.000) 10.648 14.478 ( -8.009 -0.612 -0.000) 8.032 17.480 ( -1.932 25.215 -0.000) 25.289 17.732 ( 2.189 -1.100 0.000) 2.450 18.160 ( 11.324 -7.793 0.000) 13.747 18.917 ( 8.578 -8.562 0.000) 12.119 19.031 ( -0.188 8.937 -0.000) 8.939 19.238 ( -7.795 -2.697 -0.000) 8.248 ======================= Grid point 38 (34/63) ======================= q-point: ( 0.12 -0.32 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -0.679 6.394 -7.762) 10.079 1.804 ( -0.101 12.259 1.627) 12.367 1.881 ( -6.461 -2.297 2.700) 7.370 1.976 ( 3.425 11.960 15.850) 20.149 2.275 ( 0.297 9.644 -1.796) 9.814 2.346 ( 1.676 0.418 -0.666) 1.852 2.475 ( -3.984 -4.274 10.623) 12.124 2.516 ( 5.871 -0.408 2.038) 6.228 2.692 ( 3.480 -3.143 -4.181) 6.282 2.862 ( 3.507 7.164 7.740) 11.115 2.985 ( 1.144 3.924 -1.932) 4.521 3.119 ( 3.116 -2.102 -2.674) 4.613 3.173 ( 0.271 -10.170 -1.408) 10.270 3.186 ( -6.017 -7.672 -3.625) 10.402 3.284 ( 0.963 -3.570 -4.911) 6.148 3.431 ( 8.833 9.682 -3.812) 13.649 3.521 ( 3.273 -1.230 -1.517) 3.812 3.727 ( 6.974 -6.731 -5.925) 11.360 3.781 ( 9.372 1.475 7.373) 12.015 3.966 ( 3.125 1.265 -1.065) 3.535 4.017 ( 3.623 13.108 -1.008) 13.637 4.066 ( -2.354 4.081 2.914) 5.540 4.277 ( 3.579 0.014 4.723) 5.926 4.378 ( 2.606 4.604 -2.443) 5.827 4.443 ( 8.877 5.690 -2.128) 10.757 4.763 ( -6.993 10.513 4.010) 13.248 4.922 ( -4.344 3.170 -5.453) 7.659 5.053 ( -3.601 -11.414 -1.604) 12.076 5.548 ( 0.376 4.694 5.411) 7.173 5.572 ( -7.118 9.098 4.241) 12.305 5.787 ( -6.298 5.583 -1.010) 8.477 5.911 ( -3.369 -3.705 2.480) 5.588 5.974 ( 1.191 -4.642 -3.384) 5.867 6.106 ( -3.118 -2.982 -0.825) 4.393 6.153 ( 5.771 -0.980 -0.245) 5.858 6.180 ( -3.985 -2.843 2.268) 5.395 6.282 ( -4.315 -0.387 -2.482) 4.993 6.492 ( 0.955 3.955 -5.484) 6.829 6.626 ( 1.672 1.307 5.053) 5.481 6.745 ( -12.284 -0.815 -1.511) 12.403 6.793 ( -2.551 -3.445 5.942) 7.327 6.901 ( -2.763 -3.675 -0.060) 4.598 7.209 ( 2.714 4.475 5.562) 7.637 7.312 ( -1.999 5.164 1.605) 5.765 7.432 ( -0.330 -1.364 -1.689) 2.196 7.577 ( -1.495 3.637 0.161) 3.935 7.706 ( -8.538 -2.745 -1.589) 9.108 7.882 ( 4.879 -2.569 -3.051) 6.302 7.929 ( -3.491 -3.233 4.973) 6.882 7.995 ( 11.772 2.051 0.838) 11.979 8.344 ( 9.872 -8.427 -3.012) 13.325 8.423 ( 10.320 -5.412 -1.015) 11.698 8.654 ( 6.808 0.142 -6.882) 9.681 9.036 ( 1.800 -1.009 3.848) 4.366 9.173 ( 0.802 2.659 -1.610) 3.210 9.293 ( 0.886 0.521 0.833) 1.323 9.428 ( -5.146 -2.902 -0.138) 5.910 9.545 ( -2.264 0.145 1.793) 2.892 9.662 ( 4.220 -8.605 -1.804) 9.752 10.026 ( 3.647 13.084 1.990) 13.728 10.815 ( -4.492 -5.235 0.500) 6.916 10.820 ( -5.672 -1.759 0.286) 5.946 12.068 ( -1.157 -2.676 -0.368) 2.938 12.182 ( -0.237 5.664 0.300) 5.677 13.014 ( -1.481 -1.029 -1.988) 2.684 13.090 ( 1.923 -2.341 0.468) 3.066 13.112 ( 1.432 -3.184 -0.631) 3.548 13.253 ( 0.491 3.095 1.472) 3.462 13.332 ( -2.957 -7.041 -1.718) 7.828 13.385 ( -3.051 -6.355 -2.415) 7.452 13.663 ( -1.482 6.846 1.143) 7.097 13.812 ( -0.366 0.334 -2.050) 2.109 13.857 ( 2.205 6.844 1.306) 7.308 13.990 ( 0.054 0.041 -4.097) 4.098 14.013 ( -0.813 -1.615 1.242) 2.193 14.284 ( 4.780 -5.239 -1.986) 7.365 14.350 ( -7.384 -3.388 -1.280) 8.225 14.456 ( -6.709 1.260 0.816) 6.875 17.736 ( 7.222 -0.344 -2.690) 7.714 17.938 ( 1.307 4.349 4.787) 6.598 18.086 ( 0.622 11.488 -5.257) 12.649 18.653 ( 11.081 -8.315 7.595) 15.799 19.120 ( -7.695 -2.344 2.979) 8.578 19.218 ( -0.464 6.957 1.560) 7.145 ======================= Grid point 39 (35/63) ======================= q-point: ( 0.12 0.48 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -7.332 -3.385 11.104) 13.730 1.615 ( 5.071 -4.317 14.668) 16.109 1.874 ( -0.592 2.254 8.399) 8.716 2.040 ( 1.082 1.775 3.720) 4.262 2.083 ( 3.441 4.450 4.108) 6.965 2.159 ( 2.463 -4.260 6.298) 7.992 2.297 ( 12.499 -7.687 7.197) 16.344 2.591 ( -2.722 1.916 -0.165) 3.333 2.714 ( -0.040 -4.229 -2.343) 4.835 2.873 ( -2.363 -0.475 -1.809) 3.013 2.980 ( 2.039 -2.998 3.202) 4.837 3.008 ( 5.890 -8.957 1.646) 10.845 3.082 ( 5.522 -3.575 0.611) 6.607 3.212 ( 9.368 -4.765 4.638) 11.488 3.247 ( 2.110 5.503 -0.639) 5.928 3.438 ( 0.406 -7.582 -4.890) 9.031 3.510 ( -0.688 2.700 7.133) 7.658 3.584 ( 8.950 -2.052 4.198) 10.096 3.748 ( 10.165 2.230 -5.770) 11.899 3.847 ( 4.590 -6.553 0.972) 8.059 4.125 ( 7.730 0.795 8.729) 11.687 4.324 ( -10.592 18.392 -7.028) 22.358 4.396 ( -0.741 11.467 4.059) 12.187 4.590 ( -5.544 4.803 -4.905) 8.825 4.720 ( -4.061 10.759 1.781) 11.637 4.922 ( -5.385 6.954 -1.601) 8.940 4.939 ( -4.770 -2.860 -4.091) 6.904 5.068 ( -6.960 2.877 -2.950) 8.089 5.419 ( -5.672 -5.061 5.878) 9.610 5.648 ( -3.964 6.690 4.822) 9.150 5.730 ( -5.630 -0.720 7.179) 9.151 5.910 ( 7.741 -1.129 0.946) 7.880 5.925 ( -5.070 -2.965 -0.158) 5.875 6.070 ( 2.390 -0.728 -3.318) 4.153 6.152 ( 1.947 1.704 -2.720) 3.754 6.198 ( 3.188 -1.093 -2.228) 4.040 6.324 ( -1.610 0.242 -1.829) 2.449 6.461 ( -0.006 -2.057 -0.016) 2.057 6.561 ( 1.988 -0.425 7.462) 7.734 6.719 ( -15.103 -2.525 -1.824) 15.420 6.777 ( -4.386 -0.554 -1.717) 4.743 6.906 ( -6.155 -1.558 2.603) 6.862 7.099 ( 5.119 5.371 3.648) 8.268 7.174 ( 5.719 -5.962 5.822) 10.107 7.484 ( -5.209 2.319 -4.557) 7.299 7.623 ( -0.548 1.459 -0.847) 1.774 7.770 ( 0.590 -6.541 -3.290) 7.345 7.912 ( 12.723 -5.322 -2.271) 13.977 7.950 ( -0.616 7.724 0.828) 7.793 8.010 ( 4.932 4.277 1.180) 6.634 8.143 ( 7.687 -6.263 -2.283) 10.175 8.480 ( 10.769 0.308 -5.592) 12.138 8.821 ( 4.029 0.395 -9.855) 10.654 8.931 ( 3.577 0.644 6.789) 7.701 9.206 ( -3.043 -3.956 2.926) 5.785 9.247 ( 1.610 0.848 -0.055) 1.820 9.398 ( -3.989 -1.948 -2.464) 5.077 9.528 ( -1.191 -0.006 -0.112) 1.196 9.586 ( 0.246 -1.265 -0.181) 1.301 10.223 ( 4.215 10.028 1.396) 10.967 10.656 ( -5.751 -7.527 1.175) 9.545 10.763 ( -2.803 -4.120 0.391) 4.998 12.033 ( -1.060 -0.936 0.123) 1.419 12.321 ( -3.838 6.881 -0.652) 7.906 13.016 ( -0.011 -3.782 -0.678) 3.842 13.047 ( 0.703 -1.095 -0.253) 1.326 13.054 ( 2.529 -3.465 -2.017) 4.740 13.247 ( -2.218 -3.636 -1.084) 4.395 13.284 ( -0.014 -2.753 -2.920) 4.013 13.339 ( 1.058 3.550 0.524) 3.741 13.720 ( 2.227 -4.571 2.703) 5.759 13.799 ( -3.413 6.887 0.971) 7.748 13.886 ( -3.340 -0.054 -1.608) 3.707 14.041 ( 4.222 -0.402 -5.145) 6.668 14.131 ( -2.089 2.825 -1.194) 3.711 14.251 ( -0.250 -4.081 -2.464) 4.774 14.280 ( -1.995 -4.104 -2.547) 5.225 14.504 ( -11.232 4.312 2.009) 12.198 17.687 ( 4.986 -2.366 11.232) 12.514 17.850 ( 9.628 -2.856 -4.710) 11.093 18.333 ( 9.727 -0.116 3.554) 10.356 18.496 ( -1.505 7.646 1.093) 7.869 18.977 ( -7.381 -3.163 5.245) 9.591 19.312 ( 0.853 4.140 1.316) 4.427 ======================= Grid point 40 (36/63) ======================= q-point: ( 0.13 0.47 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -3.170 0.000 11.893) 12.309 1.453 ( -6.785 -0.000 -1.585) 6.967 1.884 ( -5.153 -0.000 1.905) 5.494 2.084 ( 0.512 0.000 7.615) 7.632 2.101 ( -1.571 0.000 7.491) 7.653 2.322 ( -16.178 -0.000 10.847) 19.478 2.444 ( 14.585 0.000 6.429) 15.939 2.491 ( 12.602 0.000 2.753) 12.899 2.680 ( 3.344 0.000 -7.450) 8.166 2.846 ( 0.085 -0.000 -1.102) 1.105 2.999 ( 0.273 0.000 0.721) 0.771 3.006 ( -3.611 -0.000 1.359) 3.858 3.264 ( 18.370 0.000 4.946) 19.024 3.305 ( -3.700 -0.000 -9.236) 9.949 3.443 ( 7.358 0.000 0.272) 7.363 3.503 ( 9.145 0.000 0.861) 9.186 3.652 ( 14.886 0.000 14.025) 20.452 3.901 ( 19.636 0.000 5.536) 20.401 3.908 ( 4.125 0.000 -5.804) 7.121 4.031 ( 10.210 0.000 0.521) 10.223 4.240 ( -13.783 -0.000 -4.909) 14.631 4.273 ( -10.223 -0.000 -2.834) 10.609 4.320 ( 8.003 0.000 2.300) 8.327 4.628 ( -2.696 -0.000 -1.772) 3.226 4.696 ( -2.874 -0.000 4.283) 5.157 4.737 ( -4.947 -0.000 -1.473) 5.162 4.827 ( -16.378 -0.000 -1.222) 16.423 4.966 ( -10.650 -0.000 -3.913) 11.347 5.042 ( 1.548 0.000 1.077) 1.886 5.518 ( -13.334 -0.000 6.596) 14.876 5.548 ( -6.449 -0.000 0.950) 6.518 5.807 ( -4.581 -0.000 1.594) 4.850 5.965 ( -3.273 -0.000 0.944) 3.406 6.003 ( -9.702 -0.000 3.711) 10.387 6.115 ( -6.821 -0.000 -2.489) 7.261 6.241 ( -5.145 -0.000 -1.461) 5.348 6.386 ( 4.665 0.000 -1.284) 4.839 6.535 ( 7.041 0.000 7.070) 9.978 6.558 ( -2.367 -0.000 -12.653) 12.873 6.579 ( 5.712 0.000 8.158) 9.959 6.693 ( 0.716 -0.000 -2.675) 2.769 6.797 ( -2.804 -0.000 -2.373) 3.674 7.199 ( 0.475 0.000 0.182) 0.509 7.406 ( -4.958 -0.000 -0.592) 4.993 7.495 ( 6.626 0.000 2.892) 7.230 7.532 ( 7.926 0.000 -6.314) 10.133 7.894 ( 4.110 0.000 -1.118) 4.260 7.895 ( -2.156 -0.000 -0.241) 2.170 8.139 ( 0.353 -0.000 -4.608) 4.621 8.148 ( 12.608 0.000 2.360) 12.827 8.250 ( 11.290 0.000 3.989) 11.974 8.746 ( 12.611 0.000 -3.292) 13.034 8.969 ( -11.285 -0.000 2.809) 11.630 8.995 ( 9.834 0.000 -5.585) 11.309 9.083 ( 7.809 0.000 4.686) 9.108 9.220 ( -8.956 -0.000 -2.808) 9.386 9.278 ( -0.237 0.000 1.798) 1.813 9.454 ( -7.288 -0.000 -0.076) 7.288 9.645 ( 7.056 0.000 -1.731) 7.266 10.278 ( -17.216 -0.000 3.984) 17.671 10.497 ( 7.781 0.000 -0.577) 7.803 10.697 ( -0.808 -0.000 -0.201) 0.833 12.016 ( 1.281 0.000 0.444) 1.356 12.240 ( -8.182 -0.000 -1.016) 8.245 12.991 ( 1.882 0.000 -0.027) 1.883 13.046 ( 0.174 0.000 -0.398) 0.434 13.089 ( 2.504 0.000 -1.954) 3.176 13.167 ( -0.904 -0.000 0.220) 0.930 13.293 ( 1.600 -0.000 -5.430) 5.661 13.431 ( 1.207 0.000 4.705) 4.858 13.711 ( 1.302 0.000 2.535) 2.850 13.772 ( -5.436 -0.000 0.637) 5.473 13.811 ( -1.597 -0.000 -1.991) 2.552 13.972 ( -4.271 -0.000 -2.937) 5.183 14.156 ( -0.314 -0.000 -2.153) 2.176 14.181 ( -3.367 -0.000 -1.449) 3.666 14.240 ( 4.206 0.000 -2.764) 5.033 14.396 ( -3.549 -0.000 0.101) 3.550 17.812 ( 6.320 0.000 13.771) 15.152 17.961 ( -0.768 0.000 4.571) 4.635 18.381 ( -2.226 -0.000 -7.639) 7.957 18.720 ( -11.026 -0.000 2.175) 11.239 18.795 ( 20.430 0.000 -2.361) 20.566 19.350 ( -2.293 -0.000 2.430) 3.341 ======================= Grid point 43 (37/63) ======================= q-point: ( 0.13 -0.13 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -10.448 3.094 -0.000) 10.896 1.674 ( -6.943 0.215 -0.000) 6.947 1.945 ( 1.703 1.290 -0.000) 2.136 2.232 ( 5.372 16.252 -0.000) 17.117 2.245 ( 0.471 19.513 -0.000) 19.518 2.346 ( -0.618 -3.205 0.000) 3.264 2.458 ( -4.764 -1.934 -0.000) 5.142 2.662 ( 2.838 -5.965 0.000) 6.606 2.672 ( 4.046 -5.672 0.000) 6.967 2.927 ( -4.265 3.459 -0.000) 5.491 2.938 ( -8.385 6.905 -0.000) 10.862 2.970 ( -1.682 6.288 -0.000) 6.509 3.151 ( 6.039 -12.079 0.000) 13.504 3.257 ( 1.519 -8.257 0.000) 8.396 3.436 ( 9.156 0.249 0.000) 9.159 3.592 ( 5.202 3.582 -0.000) 6.316 3.617 ( 7.555 0.068 0.000) 7.556 3.751 ( 3.848 5.865 -0.000) 7.015 3.962 ( -5.325 12.518 -0.000) 13.603 4.121 ( 7.439 -0.367 0.000) 7.448 4.163 ( 16.142 -2.368 0.000) 16.315 4.231 ( 14.288 -1.431 0.000) 14.360 4.390 ( -4.857 -1.270 -0.000) 5.021 4.396 ( -0.136 4.000 -0.000) 4.002 4.551 ( 9.299 -13.706 0.000) 16.562 4.757 ( 6.585 9.670 -0.000) 11.699 4.804 ( 0.666 1.584 -0.000) 1.718 4.889 ( -9.338 -7.685 0.000) 12.094 5.385 ( -15.997 4.086 -0.000) 16.511 5.431 ( -15.721 10.948 -0.000) 19.158 5.565 ( -8.768 -3.984 -0.000) 9.631 5.839 ( 0.764 5.357 -0.000) 5.411 5.988 ( -5.883 1.382 -0.000) 6.043 6.094 ( -5.681 1.597 -0.000) 5.901 6.102 ( -0.404 -4.258 0.000) 4.277 6.255 ( 5.092 -0.003 0.000) 5.092 6.308 ( -6.694 4.495 -0.000) 8.063 6.334 ( 11.088 -3.344 0.000) 11.582 6.514 ( -2.790 -4.060 0.000) 4.926 6.613 ( -5.391 -10.756 0.000) 12.032 6.781 ( -4.368 3.409 -0.000) 5.541 7.026 ( 8.173 -3.769 0.000) 9.000 7.223 ( -6.346 5.114 -0.000) 8.150 7.397 ( -7.226 -2.742 -0.000) 7.728 7.407 ( 1.266 0.947 -0.000) 1.581 7.533 ( 0.888 -2.723 0.000) 2.864 7.597 ( 1.798 10.992 -0.000) 11.138 7.772 ( -5.089 1.639 -0.000) 5.346 7.875 ( -0.424 -2.771 0.000) 2.803 8.249 ( 10.287 1.664 0.000) 10.421 8.643 ( 17.027 -0.352 0.000) 17.031 8.651 ( 10.884 -8.548 0.000) 13.839 8.807 ( 10.124 -0.027 0.000) 10.124 9.057 ( -2.646 -1.257 -0.000) 2.930 9.150 ( -2.474 5.298 -0.000) 5.848 9.266 ( -9.270 0.322 -0.000) 9.276 9.287 ( -2.837 -0.322 -0.000) 2.855 9.543 ( -0.849 -2.375 0.000) 2.523 9.756 ( 6.299 -8.795 0.000) 10.818 10.152 ( 4.786 9.762 -0.000) 10.872 10.670 ( -6.850 -6.983 0.000) 9.781 10.697 ( -5.968 1.249 -0.000) 6.098 12.039 ( -0.767 -0.794 0.000) 1.104 12.183 ( -0.277 1.033 -0.000) 1.070 12.964 ( -0.839 0.075 -0.000) 0.842 13.126 ( 0.233 -1.941 0.000) 1.955 13.153 ( 2.326 -2.333 0.000) 3.294 13.265 ( -0.856 -5.379 0.000) 5.446 13.274 ( -0.142 1.509 -0.000) 1.515 13.313 ( -1.207 -0.252 -0.000) 1.233 13.641 ( -1.191 3.885 -0.000) 4.063 13.761 ( -1.236 0.483 -0.000) 1.327 13.898 ( 0.155 -0.760 0.000) 0.776 13.965 ( 0.163 7.363 -0.000) 7.364 13.982 ( -0.542 0.019 -0.000) 0.542 14.200 ( -3.672 0.010 -0.000) 3.672 14.272 ( -10.155 -1.934 -0.000) 10.338 14.450 ( 8.684 -10.517 0.000) 13.639 17.777 ( -11.890 17.481 -0.000) 21.141 17.937 ( 10.181 4.305 0.000) 11.054 18.238 ( 9.472 -6.414 0.000) 11.439 18.857 ( -5.303 -5.205 0.000) 7.431 19.037 ( 5.660 -7.516 0.000) 9.409 19.210 ( -1.490 8.468 -0.000) 8.598 ======================= Grid point 44 (38/63) ======================= q-point: ( 0.13 0.67 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -11.885 -3.733 -7.460) 14.520 1.643 ( -7.296 -5.545 -0.815) 9.200 1.841 ( -4.740 0.158 5.234) 7.063 2.258 ( -3.075 0.468 7.583) 8.196 2.284 ( 3.696 -0.168 6.218) 7.236 2.406 ( 0.737 4.484 4.629) 6.487 2.520 ( -1.094 2.852 3.240) 4.453 2.589 ( 5.295 0.234 3.371) 6.281 2.659 ( 3.597 -5.684 -2.863) 7.311 2.826 ( -4.456 -0.079 5.103) 6.776 3.016 ( 4.515 -5.447 1.026) 7.149 3.080 ( -4.025 -0.505 -2.827) 4.944 3.135 ( -2.741 2.720 -4.768) 6.135 3.266 ( 6.303 11.705 -5.858) 14.528 3.412 ( 7.676 2.377 4.588) 9.253 3.570 ( 8.240 -6.953 3.751) 11.416 3.740 ( 6.487 2.006 -3.873) 7.817 3.768 ( 4.595 -0.053 -3.446) 5.744 3.995 ( 9.915 -1.356 -0.693) 10.031 4.082 ( 11.872 2.209 3.753) 12.646 4.175 ( 8.414 0.973 2.680) 8.884 4.220 ( -7.257 2.348 4.830) 9.028 4.351 ( 7.048 1.814 0.594) 7.302 4.502 ( -9.763 5.900 -2.397) 11.656 4.594 ( -4.886 7.523 -1.862) 9.161 4.755 ( -5.255 -6.742 -3.382) 9.193 4.786 ( -1.188 -3.661 -2.050) 4.361 4.962 ( 1.960 7.593 -1.005) 7.906 5.220 ( -17.865 -9.440 7.154) 21.435 5.501 ( -14.975 -1.927 -3.305) 15.456 5.688 ( -9.933 4.778 4.297) 11.831 5.818 ( -7.958 -3.354 -0.201) 8.638 5.973 ( -3.613 -0.339 1.524) 3.935 6.034 ( 0.891 -0.866 -2.014) 2.366 6.114 ( -11.404 -0.009 2.285) 11.631 6.249 ( 6.491 -3.360 -1.887) 7.548 6.297 ( 6.362 1.701 -2.297) 6.974 6.423 ( -1.480 0.526 -3.885) 4.191 6.497 ( 3.492 1.690 -0.625) 3.929 6.585 ( 1.151 4.857 -3.204) 5.931 6.773 ( -6.746 -0.828 2.381) 7.201 6.864 ( 1.965 -4.546 8.086) 9.482 7.197 ( -1.879 0.250 1.196) 2.241 7.352 ( 0.701 1.509 2.540) 3.037 7.465 ( 6.676 5.428 2.201) 8.882 7.513 ( -3.265 -1.780 -3.117) 4.852 7.806 ( -3.563 9.503 1.387) 10.244 7.826 ( 1.672 2.651 0.461) 3.168 8.006 ( 4.602 2.806 -8.073) 9.707 8.281 ( 8.794 1.816 1.849) 9.168 8.393 ( 14.205 -13.377 2.017) 19.616 8.673 ( 15.538 0.346 -3.016) 15.832 8.856 ( 8.940 2.446 -2.745) 9.666 9.043 ( -4.163 -0.724 -0.193) 4.230 9.181 ( -3.231 -1.286 3.379) 4.848 9.258 ( -4.101 -3.956 -0.199) 5.701 9.285 ( -0.367 2.009 0.049) 2.043 9.453 ( -4.905 -1.302 1.697) 5.351 9.642 ( 7.160 -4.324 -2.337) 8.684 10.295 ( -6.502 5.914 2.814) 9.229 10.537 ( -0.143 -5.088 -0.035) 5.090 10.704 ( -3.173 -0.646 -0.352) 3.257 12.029 ( 1.083 -0.604 -0.085) 1.243 12.208 ( -5.501 1.639 0.062) 5.740 12.992 ( -0.064 0.430 -1.266) 1.339 13.076 ( 1.228 -2.145 0.294) 2.489 13.083 ( 1.696 -3.394 -0.500) 3.827 13.181 ( 0.748 -3.472 -1.789) 3.977 13.258 ( 0.373 -2.011 -0.817) 2.202 13.407 ( 2.657 7.539 1.997) 8.239 13.726 ( -4.083 4.546 0.484) 6.130 13.781 ( -0.359 -0.587 -1.031) 1.240 13.848 ( -0.798 -4.582 3.279) 5.690 13.969 ( -0.212 -3.663 -4.702) 5.964 14.066 ( -4.514 2.535 -1.594) 5.417 14.191 ( 0.519 -0.834 -1.349) 1.669 14.239 ( 3.441 -9.134 -2.425) 10.057 14.335 ( -6.465 6.418 0.718) 9.138 17.979 ( 6.402 3.345 4.851) 8.701 18.013 ( -5.883 4.877 5.732) 9.552 18.212 ( 3.176 1.512 -6.982) 7.818 18.743 ( -3.644 -0.889 3.592) 5.194 18.880 ( 6.785 -7.313 -0.216) 9.979 19.339 ( -1.420 5.076 1.519) 5.485 ======================= Grid point 45 (39/63) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -8.885 -0.000 -10.793) 13.980 1.364 ( -9.658 -0.000 -2.807) 10.057 1.808 ( 2.038 0.000 0.025) 2.039 2.016 ( -21.277 -0.000 6.702) 22.308 2.165 ( -8.078 -0.000 5.225) 9.620 2.349 ( -5.180 -0.000 10.572) 11.773 2.535 ( -2.841 -0.000 -6.368) 6.973 2.656 ( 3.222 0.000 0.312) 3.237 2.815 ( 0.764 0.000 3.500) 3.583 2.881 ( 0.864 0.000 -0.523) 1.010 2.890 ( 0.898 0.000 -1.733) 1.952 2.899 ( -8.189 -0.000 -2.572) 8.584 3.142 ( 0.307 -0.000 -3.215) 3.229 3.505 ( -5.799 -0.000 -5.676) 8.115 3.589 ( 0.862 0.000 3.736) 3.834 3.673 ( -0.666 -0.000 0.141) 0.680 3.749 ( -2.224 -0.000 -1.508) 2.687 3.867 ( 18.355 0.000 0.592) 18.365 4.000 ( -12.442 -0.000 1.112) 12.492 4.170 ( 1.049 0.000 5.718) 5.813 4.259 ( -7.191 -0.000 -3.441) 7.972 4.368 ( -9.059 -0.000 -3.089) 9.571 4.381 ( -14.488 -0.000 -1.227) 14.540 4.478 ( 10.717 0.000 1.126) 10.776 4.559 ( 19.136 0.000 -1.086) 19.166 4.694 ( -0.355 0.000 4.564) 4.578 4.784 ( -7.906 -0.000 2.746) 8.370 4.808 ( 15.318 0.000 -0.245) 15.320 5.053 ( -2.264 -0.000 -6.928) 7.289 5.283 ( -13.164 -0.000 1.838) 13.292 5.437 ( 10.124 0.000 -6.686) 12.133 5.643 ( -15.430 -0.000 0.617) 15.442 5.863 ( -5.695 -0.000 1.449) 5.876 5.877 ( -2.433 -0.000 2.917) 3.799 6.018 ( 4.061 0.000 -3.056) 5.082 6.288 ( 0.165 0.000 5.564) 5.567 6.372 ( -3.607 -0.000 -4.528) 5.789 6.402 ( 1.592 0.000 -3.753) 4.077 6.586 ( -8.267 -0.000 0.258) 8.271 6.640 ( 5.860 0.000 -1.531) 6.056 6.833 ( 0.005 0.000 3.103) 3.103 6.938 ( 11.637 0.000 5.998) 13.092 7.163 ( 9.778 0.000 -2.551) 10.105 7.404 ( -1.292 -0.000 -6.691) 6.814 7.526 ( -0.609 0.000 9.042) 9.062 7.711 ( 7.211 0.000 1.833) 7.440 7.877 ( -1.345 -0.000 0.430) 1.412 7.883 ( -8.503 -0.000 -2.876) 8.976 8.034 ( 3.650 0.000 -2.971) 4.706 8.406 ( 1.283 0.000 4.518) 4.696 8.598 ( 16.032 0.000 -0.418) 16.038 8.716 ( -16.386 -0.000 5.111) 17.164 8.942 ( -11.109 -0.000 -4.242) 11.891 9.007 ( 14.260 0.000 -0.565) 14.271 9.138 ( 8.068 0.000 -1.515) 8.210 9.267 ( -8.437 -0.000 -0.036) 8.437 9.300 ( -2.321 -0.000 3.175) 3.933 9.314 ( 6.464 0.000 1.811) 6.713 9.825 ( 14.044 0.000 -1.713) 14.148 9.978 ( -16.393 -0.000 3.526) 16.768 10.639 ( -4.081 -0.000 0.031) 4.081 10.648 ( 5.642 0.000 0.254) 5.648 12.069 ( -5.621 -0.000 -0.491) 5.643 12.112 ( 6.492 0.000 0.629) 6.523 13.014 ( 0.637 0.000 -0.935) 1.132 13.044 ( -0.718 -0.000 0.535) 0.896 13.089 ( 1.053 0.000 -1.643) 1.952 13.181 ( 1.122 0.000 1.053) 1.539 13.273 ( 1.842 0.000 -2.091) 2.786 13.582 ( 1.663 0.000 6.973) 7.169 13.713 ( -1.059 -0.000 0.790) 1.322 13.713 ( -2.687 -0.000 2.514) 3.680 13.825 ( 3.586 0.000 -2.372) 4.299 13.873 ( -1.248 -0.000 0.188) 1.262 14.081 ( 1.495 -0.000 -7.483) 7.631 14.125 ( 1.233 0.000 -1.200) 1.720 14.288 ( 5.447 0.000 -2.685) 6.073 14.311 ( -3.602 -0.000 -0.591) 3.650 17.727 ( -20.137 -0.000 -2.078) 20.244 18.000 ( -7.834 -0.000 4.632) 9.100 18.436 ( 12.346 0.000 -2.291) 12.557 18.553 ( -3.191 -0.000 0.650) 3.256 19.116 ( 12.132 0.000 -1.063) 12.178 19.315 ( -6.191 -0.000 4.274) 7.523 ======================= Grid point 47 (40/63) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.979 5.790 15.268) 16.358 1.769 ( 2.223 2.501 3.925) 5.158 1.867 ( 0.582 14.539 5.540) 15.569 2.056 ( -1.938 0.011 -8.707) 8.920 2.187 ( 9.558 -4.451 -1.227) 10.615 2.264 ( -0.163 -3.751 -7.812) 8.668 2.383 ( -5.166 2.070 0.483) 5.587 2.451 ( 3.797 6.068 -7.128) 10.102 2.713 ( -1.112 -9.140 3.645) 9.902 2.777 ( -1.139 -7.421 -2.300) 7.852 3.040 ( -0.503 6.341 7.959) 10.189 3.160 ( 4.805 7.372 0.420) 8.810 3.246 ( -1.907 3.419 1.485) 4.187 3.321 ( 1.861 0.953 -3.986) 4.501 3.366 ( -4.265 -7.765 4.960) 10.153 3.522 ( -0.255 -8.905 -9.680) 13.156 3.797 ( -1.751 0.659 2.861) 3.419 3.830 ( 2.019 -1.132 -0.362) 2.343 3.974 ( 0.668 -4.980 7.457) 8.992 4.105 ( 1.720 0.249 -6.703) 6.925 4.195 ( 2.515 1.501 2.324) 3.739 4.286 ( -3.029 0.731 -7.032) 7.691 4.463 ( -0.254 0.734 4.609) 4.674 4.545 ( -1.764 0.055 -4.109) 4.472 4.758 ( -3.937 2.874 3.411) 5.949 4.802 ( 3.923 4.464 3.929) 7.124 4.817 ( 4.741 1.001 -2.510) 5.457 4.880 ( -4.223 6.255 -4.073) 8.576 5.049 ( -12.427 -7.659 3.684) 15.056 5.108 ( 13.609 -8.189 -2.454) 16.072 5.663 ( -4.246 7.580 8.195) 11.943 5.778 ( 6.333 8.953 -3.563) 11.530 5.878 ( 1.037 1.102 1.366) 2.039 5.924 ( -0.707 1.245 -3.309) 3.606 6.219 ( -1.720 1.376 5.772) 6.178 6.299 ( 1.125 -3.673 0.540) 3.879 6.373 ( -0.907 2.241 1.898) 3.074 6.445 ( 4.050 -2.860 2.520) 5.562 6.483 ( 3.661 -0.527 -6.085) 7.121 6.542 ( -8.254 -6.239 -5.806) 11.864 6.683 ( 1.823 -0.223 4.186) 4.571 6.809 ( -3.184 1.173 -9.536) 10.121 7.190 ( 1.111 -3.327 2.936) 4.574 7.261 ( -2.377 -2.931 -4.630) 5.973 7.449 ( 6.732 -2.747 4.665) 8.639 7.513 ( -4.852 -1.439 2.778) 5.773 7.552 ( -7.274 -1.975 -3.561) 8.337 7.592 ( 6.934 -5.217 -3.664) 9.419 8.245 ( 0.271 0.973 7.680) 7.746 8.340 ( -0.256 0.342 -3.002) 3.032 8.874 ( -4.698 5.470 0.430) 7.223 8.885 ( 3.690 5.046 -0.736) 6.294 8.991 ( 3.442 1.685 1.203) 4.017 9.006 ( -5.652 0.798 -0.207) 5.712 9.067 ( -1.370 -5.065 1.073) 5.356 9.085 ( 4.775 -3.998 -0.697) 6.267 9.294 ( 0.079 0.515 4.321) 4.352 9.391 ( -0.625 1.145 -5.882) 6.025 9.976 ( -3.642 2.454 4.282) 6.134 10.058 ( 3.909 3.366 -4.552) 6.880 10.600 ( 2.178 -0.976 1.157) 2.652 10.623 ( -2.692 -0.754 -1.304) 3.084 12.075 ( 0.145 -0.064 2.255) 2.261 12.121 ( -0.264 0.327 -2.628) 2.661 13.045 ( -0.256 0.562 3.802) 3.852 13.112 ( 0.002 1.974 -3.115) 3.688 13.136 ( 0.372 -0.070 2.022) 2.057 13.189 ( 0.051 -0.493 -3.316) 3.353 13.317 ( -0.580 -0.181 0.452) 0.757 13.324 ( -0.466 -1.209 -0.158) 1.305 13.774 ( -0.180 3.456 6.365) 7.245 13.783 ( -0.341 0.970 3.294) 3.451 13.870 ( -0.291 -0.845 -2.805) 2.944 13.922 ( 2.157 3.722 -6.079) 7.447 14.103 ( 2.148 -3.068 4.301) 5.704 14.171 ( -2.577 -4.779 -3.088) 6.247 14.212 ( -0.801 -0.328 10.856) 10.891 14.403 ( -0.583 3.134 -9.310) 9.841 17.699 ( 3.821 -1.908 7.454) 8.591 17.848 ( -0.373 -0.926 -8.306) 8.366 18.516 ( -0.725 0.756 7.654) 7.725 18.662 ( -1.341 3.119 -7.748) 8.459 19.114 ( 1.735 -2.124 1.337) 3.051 19.148 ( -1.342 -0.831 -2.225) 2.728 ======================= Grid point 49 (41/63) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -6.216 -7.876 0.000) 10.033 1.436 ( -9.111 -9.976 0.000) 13.510 1.731 ( -6.740 5.409 -0.000) 8.642 2.154 ( -18.128 -5.478 -0.000) 18.938 2.172 ( -16.822 -0.437 -0.000) 16.827 2.381 ( 3.566 5.859 -0.000) 6.858 2.610 ( -2.724 -4.124 0.000) 4.943 2.722 ( -0.574 0.673 -0.000) 0.885 2.802 ( -4.229 -7.517 0.000) 8.625 2.807 ( 6.861 5.019 -0.000) 8.501 2.908 ( 2.580 3.509 -0.000) 4.356 2.987 ( -2.467 -10.030 0.000) 10.329 3.025 ( -3.301 5.581 -0.000) 6.484 3.318 ( 3.505 9.511 -0.000) 10.136 3.548 ( 1.197 4.958 -0.000) 5.101 3.582 ( -9.769 -1.114 -0.000) 9.832 3.832 ( 6.907 1.067 0.000) 6.988 3.905 ( 6.660 -0.657 0.000) 6.693 4.076 ( -13.128 11.199 -0.000) 17.255 4.230 ( 3.113 -5.995 0.000) 6.755 4.238 ( -0.543 -4.009 0.000) 4.046 4.240 ( -3.697 -2.548 0.000) 4.490 4.280 ( -9.405 2.310 -0.000) 9.685 4.558 ( 9.964 -0.970 0.000) 10.011 4.636 ( 11.301 -5.191 0.000) 12.437 4.719 ( 7.703 1.285 0.000) 7.810 4.820 ( -0.348 -2.488 0.000) 2.512 4.971 ( -0.594 -5.724 0.000) 5.755 4.984 ( -13.183 -5.062 -0.000) 14.121 5.215 ( 3.652 5.729 -0.000) 6.794 5.448 ( -9.182 1.464 -0.000) 9.298 5.585 ( -8.927 -3.633 -0.000) 9.638 5.873 ( -4.805 -0.553 -0.000) 4.836 5.976 ( -1.032 -3.492 0.000) 3.641 6.009 ( 0.636 -2.960 0.000) 3.027 6.271 ( -1.972 4.490 -0.000) 4.904 6.369 ( 2.928 0.405 0.000) 2.956 6.432 ( -2.682 -6.256 0.000) 6.807 6.581 ( 4.187 2.299 -0.000) 4.777 6.625 ( -5.284 -2.024 -0.000) 5.659 6.837 ( 11.506 6.180 0.000) 13.061 6.965 ( -0.674 -1.608 0.000) 1.743 7.160 ( 9.620 -1.078 0.000) 9.680 7.358 ( -0.342 -2.113 0.000) 2.140 7.532 ( 4.987 8.628 -0.000) 9.966 7.704 ( 6.635 3.161 0.000) 7.350 7.724 ( -1.164 11.673 -0.000) 11.731 7.791 ( -12.798 3.170 -0.000) 13.185 7.960 ( 4.334 5.121 -0.000) 6.709 8.403 ( -0.327 2.782 -0.000) 2.801 8.703 ( 12.289 -8.737 0.000) 15.079 8.850 ( -10.344 -4.511 -0.000) 11.285 8.898 ( -8.067 -1.625 -0.000) 8.229 8.998 ( 14.824 0.410 0.000) 14.829 9.166 ( 5.019 -2.400 0.000) 5.563 9.174 ( -4.467 5.046 -0.000) 6.739 9.234 ( -4.713 7.540 -0.000) 8.892 9.443 ( 0.868 -6.305 0.000) 6.365 9.837 ( 11.686 -2.397 0.000) 11.929 10.058 ( -12.602 -4.502 -0.000) 13.382 10.617 ( -3.682 2.005 -0.000) 4.192 10.661 ( 6.382 -0.397 0.000) 6.394 12.047 ( -1.311 1.081 -0.000) 1.699 12.150 ( 2.295 -2.171 0.000) 3.159 12.984 ( 0.539 1.492 -0.000) 1.586 13.081 ( -0.611 -2.270 0.000) 2.351 13.095 ( 0.092 -2.547 0.000) 2.549 13.223 ( 2.706 -2.784 0.000) 3.882 13.268 ( 1.160 -1.206 0.000) 1.673 13.498 ( 3.059 10.567 -0.000) 11.001 13.661 ( -1.494 2.745 -0.000) 3.126 13.769 ( 0.404 1.471 -0.000) 1.526 13.870 ( -2.757 -5.387 0.000) 6.051 13.898 ( 1.107 -0.139 0.000) 1.116 13.948 ( -3.752 -0.972 -0.000) 3.876 14.160 ( -0.596 6.931 -0.000) 6.957 14.315 ( 3.205 1.772 -0.000) 3.662 14.333 ( 5.384 -15.428 0.000) 16.340 17.652 ( -19.507 5.066 -0.000) 20.154 18.037 ( -9.268 0.548 -0.000) 9.284 18.389 ( 9.025 1.837 0.000) 9.210 18.645 ( 1.939 -7.647 0.000) 7.890 19.128 ( 8.791 -1.495 0.000) 8.917 19.297 ( -3.934 5.648 -0.000) 6.883 ======================= Grid point 50 (42/63) ======================= q-point: ( 0.17 -0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.469 0.000 0.000) 3.469 1.128 ( -5.743 -0.000 -0.000) 5.743 1.509 ( -29.592 -0.000 -0.000) 29.592 1.627 ( -34.222 -0.000 -0.000) 34.222 1.987 ( 14.884 0.000 0.000) 14.884 2.322 ( -9.979 -0.000 -0.000) 9.979 2.413 ( -23.172 -0.000 -0.000) 23.172 2.613 ( 5.159 0.000 0.000) 5.159 2.640 ( -16.063 -0.000 -0.000) 16.063 2.731 ( 0.245 0.000 0.000) 0.245 2.847 ( -1.176 -0.000 -0.000) 1.176 3.054 ( 5.323 0.000 0.000) 5.323 3.149 ( 2.314 0.000 0.000) 2.314 3.257 ( -11.700 -0.000 -0.000) 11.700 3.390 ( -9.627 -0.000 -0.000) 9.627 3.514 ( -16.175 -0.000 -0.000) 16.175 3.758 ( -10.266 -0.000 -0.000) 10.266 3.800 ( 2.713 0.000 0.000) 2.713 3.928 ( -8.529 -0.000 -0.000) 8.529 4.127 ( -7.218 -0.000 -0.000) 7.218 4.192 ( 2.003 0.000 0.000) 2.003 4.233 ( 4.745 0.000 0.000) 4.745 4.332 ( -26.431 -0.000 -0.000) 26.431 4.390 ( 16.644 0.000 0.000) 16.644 4.679 ( -4.553 -0.000 -0.000) 4.553 4.770 ( 9.857 0.000 0.000) 9.857 4.956 ( 15.291 0.000 0.000) 15.291 5.009 ( -14.931 -0.000 -0.000) 14.931 5.121 ( 11.282 0.000 0.000) 11.282 5.207 ( 17.410 0.000 0.000) 17.410 5.444 ( 0.276 0.000 0.000) 0.276 5.767 ( 21.662 0.000 0.000) 21.662 5.859 ( 3.363 0.000 0.000) 3.363 6.009 ( -0.154 -0.000 -0.000) 0.154 6.009 ( 10.823 0.000 0.000) 10.823 6.155 ( -14.084 -0.000 -0.000) 14.084 6.316 ( 3.625 0.000 0.000) 3.625 6.404 ( -2.467 -0.000 -0.000) 2.467 6.431 ( -5.753 -0.000 -0.000) 5.753 6.763 ( 5.047 0.000 0.000) 5.047 6.779 ( -1.614 -0.000 -0.000) 1.614 7.170 ( -31.758 -0.000 -0.000) 31.758 7.247 ( 9.432 0.000 0.000) 9.432 7.390 ( 5.297 0.000 0.000) 5.297 7.555 ( 17.666 0.000 0.000) 17.666 7.792 ( -2.563 -0.000 -0.000) 2.563 7.871 ( 3.016 0.000 0.000) 3.016 7.894 ( 8.979 0.000 0.000) 8.979 8.021 ( -6.130 -0.000 -0.000) 6.130 8.378 ( -7.622 -0.000 -0.000) 7.622 8.572 ( -6.206 -0.000 -0.000) 6.206 8.597 ( -11.581 -0.000 -0.000) 11.581 8.849 ( 9.713 0.000 0.000) 9.713 9.156 ( -2.284 -0.000 -0.000) 2.284 9.241 ( 2.393 0.000 0.000) 2.393 9.269 ( -4.839 -0.000 -0.000) 4.839 9.276 ( 10.498 0.000 0.000) 10.498 9.438 ( 4.914 0.000 0.000) 4.914 9.718 ( -10.699 -0.000 -0.000) 10.699 10.168 ( 17.150 0.000 0.000) 17.150 10.533 ( -5.778 -0.000 -0.000) 5.778 10.708 ( -0.384 -0.000 -0.000) 0.384 12.003 ( -0.316 -0.000 -0.000) 0.316 12.294 ( 9.198 0.000 0.000) 9.198 13.002 ( -0.058 -0.000 -0.000) 0.058 13.020 ( -1.978 -0.000 -0.000) 1.978 13.104 ( 1.960 0.000 0.000) 1.960 13.187 ( -2.889 -0.000 -0.000) 2.889 13.283 ( 1.456 0.000 0.000) 1.456 13.627 ( -1.901 -0.000 -0.000) 1.901 13.734 ( -1.740 -0.000 -0.000) 1.740 13.773 ( 5.845 0.000 0.000) 5.845 13.820 ( 0.310 0.000 0.000) 0.310 13.912 ( 0.196 0.000 0.000) 0.196 14.056 ( 7.216 0.000 0.000) 7.216 14.171 ( 2.941 0.000 0.000) 2.941 14.244 ( -2.117 -0.000 -0.000) 2.117 14.377 ( 3.895 0.000 0.000) 3.895 17.249 ( -18.781 -0.000 -0.000) 18.781 17.784 ( -9.174 -0.000 -0.000) 9.174 18.530 ( -3.515 -0.000 -0.000) 3.515 18.645 ( 7.869 0.000 0.000) 7.869 19.254 ( -4.778 -0.000 -0.000) 4.778 19.276 ( 3.987 0.000 0.000) 3.987 ======================= Grid point 52 (43/63) ======================= q-point: ( 0.17 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -5.732 12.292 -1.778) 13.678 1.714 ( 0.033 0.804 -11.160) 11.189 1.773 ( -10.559 6.236 -6.784) 14.014 1.921 ( -7.126 -4.438 -6.244) 10.463 2.157 ( 3.400 9.852 9.603) 14.172 2.212 ( -1.024 7.942 -3.516) 8.746 2.374 ( -1.496 3.759 -0.116) 4.047 2.604 ( 6.689 -13.276 5.091) 15.714 2.755 ( 0.152 -1.075 1.598) 1.932 2.847 ( 2.232 -2.090 2.885) 4.204 2.942 ( -0.786 6.702 -5.217) 8.529 3.127 ( -2.694 -6.143 -6.817) 9.564 3.242 ( -1.370 6.165 1.364) 6.460 3.249 ( -4.565 7.724 1.145) 9.045 3.378 ( -0.219 0.027 2.492) 2.502 3.590 ( 2.399 -6.935 2.802) 7.855 3.730 ( -7.948 0.107 -3.341) 8.623 3.742 ( -5.081 -0.927 -1.276) 5.320 3.874 ( -10.027 1.228 -8.992) 13.524 4.047 ( -3.284 3.132 4.619) 6.475 4.118 ( -1.087 -1.344 4.289) 4.625 4.140 ( -13.293 -6.586 1.592) 14.920 4.329 ( -7.259 5.653 2.057) 9.427 4.406 ( -3.517 -4.569 -2.734) 6.381 4.652 ( -11.221 -1.872 1.139) 11.434 4.736 ( -0.783 -4.956 0.319) 5.028 5.034 ( 11.046 4.693 0.713) 12.023 5.071 ( 2.264 6.126 -1.707) 6.750 5.101 ( 15.514 0.460 1.082) 15.559 5.282 ( 6.816 -9.703 -3.399) 12.336 5.633 ( -0.794 8.639 -3.168) 9.236 5.837 ( 7.385 -3.054 0.811) 8.033 5.954 ( 7.375 3.612 -1.050) 8.279 6.023 ( 7.444 -2.201 -0.954) 7.821 6.179 ( -5.406 5.180 -1.361) 7.609 6.295 ( 0.789 -0.540 -2.015) 2.230 6.332 ( -6.550 0.349 -1.730) 6.783 6.392 ( 1.851 1.062 -1.745) 2.757 6.475 ( 2.552 2.686 4.275) 5.657 6.662 ( 3.131 -0.227 -2.085) 3.768 6.741 ( 6.048 -7.543 5.741) 11.244 6.871 ( 1.824 -3.066 9.527) 10.173 7.139 ( -4.458 1.752 -1.694) 5.080 7.230 ( -5.210 -1.058 0.700) 5.362 7.374 ( 3.861 -1.520 0.967) 4.261 7.506 ( 3.287 -9.210 3.448) 10.369 7.667 ( 5.490 0.069 -3.365) 6.440 7.749 ( 7.474 -1.865 1.404) 7.830 8.165 ( -7.037 0.435 -4.837) 8.550 8.230 ( -9.914 -0.459 1.552) 10.045 8.620 ( -12.962 7.529 0.248) 14.992 8.768 ( -11.037 -4.073 3.073) 12.159 8.904 ( -6.402 0.245 -5.642) 8.537 9.000 ( -1.115 -0.351 3.122) 3.334 9.141 ( 4.700 3.280 -2.470) 6.241 9.232 ( 5.534 -1.745 1.208) 5.927 9.339 ( 4.632 1.056 -2.666) 5.448 9.430 ( 2.956 -0.780 4.440) 5.390 9.857 ( -8.238 9.586 1.196) 12.696 10.031 ( -3.267 -9.280 -1.242) 9.916 10.645 ( 6.249 5.096 -0.495) 8.078 10.736 ( 5.894 -1.869 1.421) 6.344 12.066 ( -0.152 2.544 -0.937) 2.716 12.152 ( 1.847 -3.732 1.448) 4.409 13.056 ( 0.708 0.286 -2.962) 3.059 13.101 ( -0.713 1.682 2.553) 3.139 13.142 ( 0.437 0.556 -2.004) 2.125 13.199 ( 0.562 -0.554 2.571) 2.690 13.345 ( 2.282 -0.011 0.145) 2.287 13.356 ( 2.667 -0.191 1.742) 3.191 13.703 ( -3.065 0.194 -5.645) 6.426 13.763 ( -4.013 3.789 2.195) 5.940 13.881 ( 2.961 1.610 1.683) 3.767 13.946 ( 0.097 -6.071 -2.993) 6.770 14.152 ( 5.455 1.465 -5.931) 8.190 14.236 ( 3.390 0.426 -4.108) 5.343 14.272 ( 5.635 -3.251 2.973) 7.153 14.380 ( -2.559 1.173 8.640) 9.087 17.649 ( -1.020 6.357 -9.026) 11.087 17.841 ( -0.611 -1.605 1.721) 2.431 18.463 ( -5.540 -2.312 -5.953) 8.454 18.638 ( -5.132 -1.400 12.230) 13.337 19.036 ( -2.024 7.003 -0.029) 7.290 19.179 ( 0.285 -6.220 -0.093) 6.227 ======================= Grid point 60 (44/63) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.000 0.000 25.845) 25.845 1.254 ( -0.000 0.000 31.805) 31.805 1.635 ( -0.000 0.000 23.047) 23.047 1.656 ( -0.000 0.000 17.782) 17.782 1.757 ( -0.000 0.000 24.013) 24.013 1.897 ( -0.000 0.000 11.058) 11.058 2.206 ( -0.000 0.000 3.213) 3.213 2.320 ( 0.000 -0.000 -13.129) 13.129 2.679 ( 0.000 -0.000 -4.101) 4.101 2.826 ( 0.000 -0.000 -4.177) 4.177 2.892 ( 0.000 -0.000 -1.794) 1.794 3.015 ( 0.000 -0.000 -0.047) 0.047 3.085 ( 0.000 -0.000 -0.389) 0.389 3.147 ( 0.000 -0.000 -10.408) 10.408 3.210 ( -0.000 0.000 8.464) 8.464 3.350 ( -0.000 0.000 2.026) 2.026 3.477 ( 0.000 -0.000 -3.135) 3.135 3.527 ( -0.000 0.000 3.162) 3.162 3.702 ( -0.000 0.000 16.378) 16.378 3.789 ( 0.000 -0.000 -8.717) 8.717 3.905 ( 0.000 -0.000 -10.578) 10.578 4.309 ( -0.000 0.000 9.500) 9.500 4.712 ( -0.000 0.000 4.539) 4.539 4.798 ( 0.000 -0.000 -2.006) 2.006 5.047 ( 0.000 -0.000 -0.096) 0.096 5.107 ( 0.000 -0.000 -1.902) 1.902 5.197 ( 0.000 -0.000 -11.872) 11.872 5.203 ( -0.000 0.000 2.880) 2.880 5.529 ( 0.000 -0.000 -4.097) 4.097 5.582 ( -0.000 0.000 8.087) 8.087 5.622 ( -0.000 0.000 8.878) 8.878 5.780 ( -0.000 0.000 2.430) 2.430 5.885 ( -0.000 0.000 2.831) 2.831 5.959 ( 0.000 -0.000 -1.608) 1.608 6.163 ( 0.000 -0.000 -3.539) 3.539 6.189 ( -0.000 0.000 5.017) 5.017 6.235 ( 0.000 -0.000 -0.929) 0.929 6.440 ( -0.000 0.000 4.952) 4.952 6.457 ( -0.000 0.000 0.340) 0.340 6.687 ( -0.000 0.000 7.136) 7.136 6.710 ( 0.000 -0.000 -1.110) 1.110 6.909 ( -0.000 0.000 3.961) 3.961 6.924 ( -0.000 0.000 1.715) 1.715 7.383 ( 0.000 -0.000 -3.652) 3.652 7.499 ( -0.000 0.000 2.871) 2.871 7.562 ( 0.000 -0.000 -6.877) 6.877 7.728 ( 0.000 -0.000 -4.217) 4.217 7.794 ( 0.000 -0.000 -4.367) 4.367 7.839 ( -0.000 0.000 3.833) 3.833 8.121 ( 0.000 -0.000 -3.242) 3.242 8.214 ( -0.000 0.000 0.006) 0.006 8.409 ( 0.000 -0.000 -4.594) 4.594 8.779 ( -0.000 0.000 7.445) 7.445 8.979 ( 0.000 -0.000 -9.987) 9.987 9.154 ( -0.000 0.000 0.936) 0.936 9.241 ( 0.000 -0.000 -0.623) 0.623 9.473 ( 0.000 -0.000 -2.174) 2.174 9.524 ( 0.000 -0.000 -0.335) 0.335 9.603 ( -0.000 0.000 1.635) 1.635 10.290 ( 0.000 -0.000 -1.369) 1.369 10.578 ( -0.000 0.000 1.372) 1.372 10.707 ( -0.000 0.000 2.934) 2.934 12.044 ( 0.000 -0.000 -0.064) 0.064 12.495 ( 0.000 -0.000 -1.063) 1.063 12.944 ( 0.000 -0.000 -0.268) 0.268 12.993 ( 0.000 -0.000 -1.429) 1.429 13.061 ( 0.000 -0.000 -1.134) 1.134 13.200 ( -0.000 0.000 1.120) 1.120 13.354 ( -0.000 0.000 1.485) 1.485 13.415 ( 0.000 -0.000 -8.712) 8.712 13.613 ( -0.000 0.000 0.281) 0.281 13.914 ( 0.000 -0.000 -0.940) 0.940 14.009 ( 0.000 -0.000 -5.625) 5.625 14.108 ( -0.000 0.000 0.347) 0.347 14.127 ( 0.000 -0.000 -1.697) 1.697 14.257 ( 0.000 -0.000 -1.414) 1.414 14.258 ( 0.000 -0.000 -0.855) 0.855 14.724 ( 0.000 -0.000 -0.000) 0.000 17.282 ( -0.000 0.000 18.870) 18.870 17.815 ( 0.000 -0.000 -10.694) 10.694 18.028 ( -0.000 0.000 5.699) 5.699 18.612 ( -0.000 0.000 6.481) 6.481 18.904 ( -0.000 0.000 6.273) 6.273 19.317 ( -0.000 0.000 0.899) 0.899 ======================= Grid point 62 (45/63) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.000 20.259 -0.000) 20.259 1.423 ( -0.000 15.688 -0.000) 15.688 1.520 ( -0.000 34.422 -0.000) 34.422 1.977 ( -0.000 12.294 -0.000) 12.294 2.169 ( -0.000 16.840 -0.000) 16.840 2.266 ( 0.000 -5.907 0.000) 5.907 2.300 ( -0.000 46.968 -0.000) 46.968 2.445 ( -0.000 16.717 -0.000) 16.717 2.702 ( 0.000 -19.039 0.000) 19.039 2.861 ( 0.000 -5.883 0.000) 5.883 2.927 ( -0.000 0.707 -0.000) 0.707 2.969 ( 0.000 -11.942 0.000) 11.942 3.062 ( -0.000 0.205 -0.000) 0.205 3.123 ( -0.000 2.321 -0.000) 2.321 3.366 ( -0.000 18.020 -0.000) 18.020 3.386 ( 0.000 -5.284 0.000) 5.284 3.470 ( -0.000 23.336 -0.000) 23.336 3.631 ( 0.000 -6.484 0.000) 6.484 3.655 ( 0.000 -17.011 0.000) 17.011 3.701 ( -0.000 10.150 -0.000) 10.150 3.891 ( 0.000 -4.581 0.000) 4.581 4.295 ( 0.000 -30.854 0.000) 30.854 4.314 ( 0.000 -2.498 0.000) 2.498 4.359 ( -0.000 3.103 -0.000) 3.103 4.504 ( 0.000 -19.346 0.000) 19.346 4.730 ( -0.000 9.349 -0.000) 9.349 4.731 ( -0.000 8.526 -0.000) 8.526 5.369 ( 0.000 -13.496 0.000) 13.496 5.451 ( -0.000 11.059 -0.000) 11.059 5.568 ( -0.000 1.332 -0.000) 1.332 5.722 ( -0.000 8.626 -0.000) 8.626 5.857 ( -0.000 0.620 -0.000) 0.620 6.003 ( -0.000 2.733 -0.000) 2.733 6.226 ( -0.000 2.715 -0.000) 2.715 6.245 ( 0.000 -4.994 0.000) 4.994 6.307 ( -0.000 7.842 -0.000) 7.842 6.314 ( 0.000 -2.666 0.000) 2.666 6.486 ( 0.000 -6.562 0.000) 6.562 6.504 ( -0.000 5.650 -0.000) 5.650 6.656 ( -0.000 2.009 -0.000) 2.009 6.853 ( -0.000 1.246 -0.000) 1.246 6.937 ( -0.000 6.469 -0.000) 6.469 7.114 ( -0.000 12.366 -0.000) 12.366 7.254 ( 0.000 -13.869 0.000) 13.869 7.513 ( -0.000 1.043 -0.000) 1.043 7.609 ( 0.000 -0.821 0.000) 0.821 7.778 ( -0.000 0.515 -0.000) 0.515 7.835 ( 0.000 -2.519 0.000) 2.519 8.013 ( 0.000 -8.723 0.000) 8.723 8.234 ( 0.000 -2.984 0.000) 2.984 8.352 ( -0.000 6.917 -0.000) 6.917 8.360 ( 0.000 -8.856 0.000) 8.856 8.477 ( 0.000 -4.289 0.000) 4.289 9.104 ( 0.000 -2.628 0.000) 2.628 9.121 ( 0.000 -0.745 0.000) 0.745 9.267 ( 0.000 -0.358 0.000) 0.358 9.539 ( -0.000 1.685 -0.000) 1.685 9.553 ( 0.000 -1.516 0.000) 1.516 9.751 ( -0.000 12.444 -0.000) 12.444 9.812 ( 0.000 -14.210 0.000) 14.210 10.885 ( -0.000 3.524 -0.000) 3.524 10.902 ( -0.000 2.080 -0.000) 2.080 12.070 ( -0.000 3.214 -0.000) 3.214 12.196 ( 0.000 -8.191 0.000) 8.191 13.020 ( -0.000 0.474 -0.000) 0.474 13.145 ( 0.000 -5.480 0.000) 5.480 13.160 ( -0.000 0.592 -0.000) 0.592 13.199 ( -0.000 1.971 -0.000) 1.971 13.393 ( -0.000 11.623 -0.000) 11.623 13.487 ( 0.000 -3.808 0.000) 3.808 13.583 ( -0.000 1.376 -0.000) 1.376 13.665 ( 0.000 -4.420 0.000) 4.420 13.814 ( 0.000 -0.021 0.000) 0.021 14.072 ( 0.000 -6.887 0.000) 6.887 14.168 ( 0.000 -1.155 0.000) 1.155 14.207 ( 0.000 -3.204 0.000) 3.204 14.363 ( -0.000 7.098 -0.000) 7.098 14.599 ( 0.000 -5.922 0.000) 5.922 17.506 ( -0.000 29.592 -0.000) 29.592 17.733 ( 0.000 -6.558 0.000) 6.558 18.008 ( 0.000 -5.219 0.000) 5.219 18.782 ( 0.000 -9.107 0.000) 9.107 19.034 ( -0.000 8.768 -0.000) 8.768 19.349 ( 0.000 -1.878 0.000) 1.878 ======================= Grid point 63 (46/63) ======================= q-point: ( 0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.000 10.094 -7.562) 12.613 1.812 ( -0.000 17.590 -1.093) 17.623 1.851 ( -0.000 1.310 15.562) 15.617 2.072 ( -0.000 0.422 6.854) 6.867 2.276 ( -0.000 10.354 0.206) 10.356 2.335 ( 0.000 -7.152 -1.529) 7.313 2.438 ( -0.000 4.901 5.303) 7.221 2.560 ( -0.000 6.730 6.533) 9.380 2.616 ( 0.000 -11.608 12.263) 16.885 2.757 ( -0.000 10.647 5.838) 12.142 2.910 ( 0.000 -4.102 -9.233) 10.103 3.120 ( -0.000 3.419 -1.714) 3.825 3.165 ( 0.000 -5.963 -0.879) 6.027 3.279 ( 0.000 -17.175 -4.058) 17.648 3.317 ( -0.000 15.129 -9.625) 17.931 3.366 ( 0.000 -7.384 -7.094) 10.240 3.523 ( 0.000 -10.876 0.347) 10.881 3.549 ( 0.000 -4.973 -1.242) 5.126 3.665 ( -0.000 0.793 4.212) 4.286 3.944 ( -0.000 17.781 -5.427) 18.591 3.994 ( -0.000 15.043 -4.452) 15.688 4.172 ( 0.000 -14.364 1.009) 14.399 4.177 ( -0.000 17.087 3.413) 17.425 4.230 ( -0.000 6.249 1.622) 6.456 4.435 ( -0.000 5.534 -1.155) 5.653 4.842 ( -0.000 10.849 4.609) 11.787 4.990 ( -0.000 8.444 -1.909) 8.657 5.090 ( 0.000 -13.439 -0.671) 13.456 5.517 ( 0.000 -2.352 4.889) 5.426 5.643 ( -0.000 10.888 2.730) 11.225 5.860 ( -0.000 -0.116 0.259) 0.284 5.865 ( -0.000 2.832 -0.177) 2.837 6.035 ( -0.000 2.799 -0.486) 2.841 6.116 ( 0.000 -8.173 1.629) 8.334 6.206 ( 0.000 -6.524 0.031) 6.524 6.252 ( 0.000 -3.469 2.018) 4.013 6.276 ( 0.000 -5.035 1.361) 5.216 6.420 ( -0.000 3.399 -5.212) 6.222 6.611 ( -0.000 13.345 2.219) 13.528 6.824 ( 0.000 -7.969 5.947) 9.944 6.905 ( -0.000 7.532 -6.563) 9.990 6.950 ( 0.000 -5.655 -1.887) 5.961 7.182 ( -0.000 7.764 1.353) 7.881 7.325 ( -0.000 1.383 1.901) 2.351 7.487 ( -0.000 0.664 -0.673) 0.946 7.567 ( 0.000 -2.734 1.375) 3.061 7.763 ( 0.000 -2.735 1.071) 2.937 7.825 ( -0.000 4.857 1.408) 5.057 7.866 ( 0.000 -1.604 -1.090) 1.939 7.974 ( 0.000 -5.552 7.248) 9.130 8.258 ( 0.000 -16.132 1.101) 16.169 8.279 ( 0.000 -2.788 -4.304) 5.129 8.574 ( 0.000 1.117 -10.052) 10.114 9.009 ( -0.000 -1.434 4.783) 4.993 9.162 ( -0.000 2.367 -1.817) 2.984 9.275 ( -0.000 0.897 0.199) 0.919 9.485 ( 0.000 -4.328 0.351) 4.342 9.575 ( -0.000 2.279 0.500) 2.333 9.611 ( 0.000 -8.232 -1.788) 8.423 9.988 ( -0.000 12.434 1.944) 12.585 10.858 ( 0.000 -5.725 0.309) 5.733 10.891 ( 0.000 -1.181 0.886) 1.477 12.084 ( 0.000 -3.186 0.034) 3.186 12.182 ( -0.000 7.614 -0.266) 7.619 13.044 ( 0.000 -0.547 -1.789) 1.871 13.055 ( 0.000 -2.876 0.293) 2.891 13.094 ( 0.000 -5.007 -0.691) 5.054 13.246 ( -0.000 3.857 1.223) 4.047 13.373 ( 0.000 -9.089 -1.635) 9.235 13.422 ( 0.000 -7.355 -3.017) 7.950 13.686 ( -0.000 8.925 1.280) 9.016 13.799 ( -0.000 9.907 -0.745) 9.935 13.847 ( 0.000 -3.491 1.538) 3.815 13.992 ( 0.000 -1.177 -7.667) 7.756 14.012 ( -0.000 -2.119 5.804) 6.178 14.233 ( 0.000 -2.716 -4.226) 5.024 14.464 ( 0.000 -7.483 -0.169) 7.485 14.513 ( -0.000 6.837 -0.991) 6.909 17.653 ( 0.000 -5.375 -5.150) 7.443 17.870 ( 0.000 -5.321 3.791) 6.534 18.133 ( -0.000 26.577 -2.456) 26.690 18.505 ( 0.000 -9.717 7.594) 12.332 19.196 ( -0.000 7.075 0.125) 7.077 19.242 ( -0.000 -1.608 6.603) 6.796 ======================= Grid point 64 (47/63) ======================= q-point: ( 0.20 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.000 1.129 22.598) 22.627 1.761 ( 0.000 -5.721 7.632) 9.538 1.806 ( -0.000 2.476 7.419) 7.821 2.014 ( 0.000 -4.534 9.131) 10.195 2.067 ( -0.000 3.875 -2.394) 4.555 2.107 ( -0.000 -8.322 18.109) 19.930 2.136 ( 0.000 -2.384 4.796) 5.355 2.613 ( 0.000 0.287 -4.906) 4.914 2.750 ( -0.000 7.159 -1.108) 7.244 2.798 ( 0.000 -18.276 15.547) 23.994 2.920 ( -0.000 6.271 -2.340) 6.694 2.977 ( 0.000 -9.011 -0.534) 9.027 3.100 ( 0.000 -8.650 -2.770) 9.082 3.103 ( 0.000 -5.636 -2.551) 6.186 3.188 ( -0.000 0.780 -0.836) 1.143 3.446 ( -0.000 0.749 3.812) 3.885 3.514 ( 0.000 -1.856 -2.412) 3.043 3.553 ( -0.000 4.155 4.063) 5.811 3.625 ( 0.000 2.922 -9.183) 9.637 3.804 ( 0.000 -13.249 2.963) 13.577 4.015 ( -0.000 0.554 13.895) 13.906 4.349 ( -0.000 11.372 6.568) 13.133 4.543 ( -0.000 17.017 -6.281) 18.139 4.687 ( -0.000 21.475 -8.698) 23.170 4.715 ( -0.000 6.954 -3.667) 7.862 4.968 ( 0.000 1.183 -3.706) 3.890 4.977 ( -0.000 6.830 -1.241) 6.942 5.243 ( -0.000 13.788 -1.629) 13.884 5.348 ( 0.000 -3.935 5.914) 7.103 5.764 ( -0.000 7.080 4.689) 8.492 5.803 ( -0.000 -2.506 5.389) 5.943 5.807 ( 0.000 -2.940 3.828) 4.827 5.940 ( 0.000 -4.032 -0.007) 4.032 6.045 ( 0.000 -7.466 1.355) 7.588 6.110 ( 0.000 -0.658 -2.159) 2.257 6.232 ( 0.000 0.575 -3.368) 3.417 6.254 ( 0.000 -1.890 -1.426) 2.367 6.501 ( 0.000 -0.277 -0.126) 0.304 6.508 ( 0.000 -6.721 3.720) 7.682 6.837 ( -0.000 1.740 -0.296) 1.765 6.940 ( 0.000 -1.946 2.962) 3.544 6.999 ( 0.000 -6.105 10.042) 11.752 7.015 ( 0.000 -5.303 5.770) 7.837 7.146 ( -0.000 4.395 -3.759) 5.783 7.539 ( -0.000 0.787 1.397) 1.604 7.600 ( 0.000 -1.367 -5.709) 5.871 7.697 ( 0.000 -3.340 -1.439) 3.637 7.802 ( 0.000 -9.187 1.545) 9.316 7.899 ( 0.000 -2.004 0.685) 2.118 7.981 ( -0.000 5.626 -3.849) 6.816 8.107 ( -0.000 7.535 -2.974) 8.100 8.331 ( 0.000 -1.973 -5.970) 6.288 8.776 ( 0.000 -0.260 -11.514) 11.517 8.893 ( -0.000 0.822 7.061) 7.108 9.228 ( -0.000 1.050 -0.749) 1.289 9.236 ( 0.000 -2.798 2.694) 3.885 9.440 ( 0.000 -1.518 -2.535) 2.955 9.522 ( 0.000 -2.835 -1.014) 3.011 9.607 ( -0.000 1.837 0.784) 1.997 10.169 ( -0.000 8.886 0.962) 8.938 10.699 ( 0.000 -8.146 0.631) 8.170 10.817 ( 0.000 -3.746 1.890) 4.196 12.049 ( 0.000 -0.555 0.222) 0.597 12.364 ( -0.000 8.959 -0.624) 8.981 13.014 ( 0.000 -3.753 -1.826) 4.174 13.022 ( 0.000 -4.805 -0.372) 4.820 13.042 ( 0.000 -0.984 -0.890) 1.327 13.274 ( 0.000 -1.179 -3.989) 4.160 13.285 ( 0.000 -6.745 0.466) 6.761 13.329 ( -0.000 2.793 -0.370) 2.817 13.692 ( 0.000 -5.304 2.018) 5.675 13.844 ( -0.000 8.246 1.598) 8.399 13.939 ( 0.000 -1.279 -5.577) 5.721 13.968 ( -0.000 2.832 -0.100) 2.834 14.169 ( -0.000 4.233 -3.760) 5.662 14.237 ( 0.000 -1.850 -1.740) 2.539 14.308 ( 0.000 -9.112 -0.880) 9.155 14.659 ( -0.000 5.756 -0.493) 5.777 17.639 ( -0.000 -4.873 11.434) 12.429 17.690 ( 0.000 -4.820 -9.645) 10.783 18.190 ( 0.000 -4.908 8.587) 9.891 18.558 ( -0.000 14.415 2.099) 14.567 19.068 ( -0.000 -1.950 8.069) 8.301 19.297 ( -0.000 3.631 0.653) 3.690 ======================= Grid point 65 (48/63) ======================= q-point: ( 0.22 0.38 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.062 0.000 12.590) 12.591 1.541 ( -8.551 -0.000 14.027) 16.428 1.944 ( 4.641 0.000 17.100) 17.719 2.053 ( 1.427 0.000 3.586) 3.859 2.090 ( -0.036 0.000 1.281) 1.282 2.168 ( 8.560 0.000 7.236) 11.209 2.228 ( 11.020 0.000 3.604) 11.594 2.573 ( -3.726 -0.000 -0.547) 3.766 2.655 ( 1.179 0.000 0.104) 1.184 2.810 ( 14.909 0.000 9.788) 17.835 2.897 ( -6.587 -0.000 0.834) 6.640 2.927 ( 3.453 0.000 -2.229) 4.110 3.062 ( -1.040 -0.000 -1.187) 1.578 3.159 ( 16.049 0.000 7.952) 17.910 3.336 ( 0.166 0.000 3.446) 3.450 3.449 ( -3.540 -0.000 -1.783) 3.964 3.546 ( -0.152 0.000 4.483) 4.486 3.576 ( 9.477 0.000 0.812) 9.511 3.656 ( 10.527 0.000 2.245) 10.764 3.855 ( 8.065 0.000 -9.256) 12.276 4.125 ( 8.450 0.000 9.722) 12.881 4.515 ( 6.378 0.000 1.960) 6.673 4.568 ( -14.753 -0.000 -6.891) 16.283 4.591 ( -13.572 -0.000 -2.671) 13.832 4.823 ( -5.843 -0.000 -0.611) 5.875 4.902 ( -8.490 -0.000 -1.188) 8.572 5.068 ( -2.020 -0.000 0.200) 2.030 5.126 ( -10.939 -0.000 3.641) 11.529 5.270 ( -15.378 -0.000 -2.788) 15.629 5.706 ( -7.218 -0.000 3.701) 8.111 5.728 ( -5.486 -0.000 8.583) 10.187 5.876 ( 1.101 0.000 2.065) 2.340 5.926 ( 3.779 0.000 2.856) 4.737 6.069 ( 2.795 0.000 -6.622) 7.188 6.164 ( 3.017 0.000 -3.274) 4.452 6.221 ( 9.569 0.000 -1.853) 9.747 6.321 ( -3.304 -0.000 -2.648) 4.234 6.465 ( 6.556 0.000 1.422) 6.709 6.558 ( 1.198 0.000 8.006) 8.095 6.697 ( -15.630 -0.000 -2.319) 15.801 6.702 ( -2.474 -0.000 -1.132) 2.720 6.879 ( -6.089 -0.000 3.734) 7.142 7.077 ( 12.634 0.000 9.045) 15.538 7.331 ( 2.877 0.000 -1.024) 3.054 7.414 ( 0.140 -0.000 -1.719) 1.725 7.572 ( -8.504 -0.000 -5.787) 10.286 7.756 ( 7.146 0.000 -6.194) 9.457 7.793 ( 12.883 0.000 -0.497) 12.893 8.012 ( 6.858 0.000 3.294) 7.608 8.095 ( -3.234 -0.000 0.655) 3.299 8.104 ( 2.954 0.000 -2.030) 3.585 8.487 ( 11.291 0.000 -5.391) 12.512 8.822 ( 5.270 0.000 -10.241) 11.518 8.957 ( 3.907 0.000 7.004) 8.020 9.132 ( -4.475 -0.000 2.527) 5.139 9.260 ( 1.345 0.000 0.749) 1.539 9.372 ( -4.784 -0.000 -3.077) 5.689 9.540 ( 2.903 0.000 -1.356) 3.204 9.579 ( -4.239 -0.000 0.632) 4.286 10.337 ( 6.288 0.000 -1.226) 6.407 10.565 ( -6.928 -0.000 2.733) 7.447 10.710 ( -2.497 -0.000 1.872) 3.121 12.026 ( -1.407 -0.000 0.180) 1.418 12.402 ( -6.223 -0.000 -1.012) 6.305 12.958 ( 1.059 0.000 0.438) 1.146 13.012 ( 3.433 0.000 -1.663) 3.814 13.044 ( 0.476 0.000 -0.918) 1.034 13.195 ( -1.527 -0.000 -0.427) 1.586 13.268 ( 0.787 -0.000 -6.461) 6.509 13.400 ( 1.374 0.000 2.421) 2.783 13.655 ( 2.596 0.000 1.210) 2.864 13.881 ( -3.056 -0.000 0.184) 3.061 13.883 ( -3.550 -0.000 -2.084) 4.117 14.042 ( -3.654 -0.000 -2.634) 4.504 14.130 ( 2.330 0.000 -1.524) 2.784 14.205 ( -0.788 -0.000 -3.142) 3.239 14.245 ( -0.215 -0.000 -2.748) 2.757 14.557 ( -11.450 -0.000 2.766) 11.779 17.665 ( 6.222 0.000 14.354) 15.644 17.815 ( 11.476 0.000 -6.316) 13.100 18.314 ( 16.002 0.000 2.273) 16.163 18.596 ( -8.605 -0.000 2.176) 8.876 18.946 ( -8.742 -0.000 6.666) 10.993 19.354 ( 1.153 0.000 1.487) 1.881 ======================= Grid point 68 (49/63) ======================= q-point: ( 0.22 -0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -1.533 7.191 -0.000) 7.353 1.790 ( -1.453 13.767 -0.000) 13.844 1.945 ( -4.840 -4.729 0.000) 6.767 2.167 ( 2.088 25.536 -0.000) 25.621 2.229 ( -2.384 10.460 -0.000) 10.728 2.352 ( 2.020 -8.986 0.000) 9.211 2.519 ( 2.142 6.519 -0.000) 6.862 2.559 ( 2.001 -6.486 0.000) 6.787 2.692 ( -5.775 -2.101 -0.000) 6.146 2.958 ( 3.217 5.834 -0.000) 6.663 2.972 ( 3.514 2.142 -0.000) 4.116 3.028 ( -3.819 9.128 -0.000) 9.895 3.129 ( -0.687 -14.649 0.000) 14.665 3.160 ( 5.376 -10.104 0.000) 11.445 3.247 ( 3.695 -2.129 0.000) 4.265 3.414 ( 9.762 8.564 -0.000) 12.987 3.507 ( 1.344 0.134 0.000) 1.351 3.657 ( 6.162 -7.103 0.000) 9.403 3.884 ( 13.333 -2.727 0.000) 13.609 3.956 ( -0.339 18.241 -0.000) 18.244 3.978 ( 9.569 6.190 -0.000) 11.397 4.088 ( -4.505 -0.768 -0.000) 4.570 4.293 ( 7.629 7.729 -0.000) 10.860 4.399 ( 8.471 -1.551 0.000) 8.612 4.412 ( -0.668 3.749 -0.000) 3.809 4.834 ( -2.883 3.337 -0.000) 4.409 4.838 ( -11.058 10.968 -0.000) 15.575 5.037 ( -4.228 -12.493 0.000) 13.189 5.595 ( 0.236 6.405 -0.000) 6.409 5.622 ( -5.647 9.050 -0.000) 10.668 5.780 ( -7.084 5.592 -0.000) 9.025 5.923 ( -12.485 -4.960 -0.000) 13.434 5.941 ( 8.187 -2.167 0.000) 8.469 6.109 ( -3.045 -5.148 0.000) 5.981 6.147 ( 6.227 -2.338 0.000) 6.652 6.220 ( -7.202 1.885 -0.000) 7.445 6.244 ( -0.875 -4.374 0.000) 4.461 6.433 ( -0.837 4.856 -0.000) 4.927 6.688 ( -10.903 0.596 -0.000) 10.919 6.716 ( 0.592 -3.902 0.000) 3.947 6.858 ( -2.435 6.305 -0.000) 6.758 6.896 ( 0.484 -12.534 0.000) 12.544 7.311 ( 7.920 13.721 -0.000) 15.843 7.326 ( 0.539 7.404 -0.000) 7.423 7.368 ( -1.156 -0.751 0.000) 1.379 7.592 ( -3.600 -4.213 0.000) 5.542 7.687 ( -11.643 -3.846 -0.000) 12.262 7.850 ( 3.714 -4.390 0.000) 5.750 7.991 ( -10.283 -6.196 0.000) 12.006 8.001 ( 11.518 3.005 0.000) 11.903 8.301 ( 12.724 -4.349 0.000) 13.447 8.417 ( 10.264 -8.765 0.000) 13.498 8.587 ( 9.351 -0.758 0.000) 9.382 9.072 ( 0.788 -1.027 0.000) 1.295 9.158 ( 0.886 3.390 -0.000) 3.503 9.298 ( 1.390 0.862 -0.000) 1.636 9.429 ( -5.574 -2.639 -0.000) 6.167 9.568 ( -1.130 -0.099 -0.000) 1.135 9.640 ( 4.211 -9.001 0.000) 9.938 10.046 ( 3.741 12.737 -0.000) 13.275 10.816 ( -4.181 -2.538 0.000) 4.891 10.828 ( -6.359 -4.711 0.000) 7.914 12.064 ( -1.424 -2.297 0.000) 2.702 12.185 ( 0.194 5.233 -0.000) 5.237 12.993 ( -1.717 -0.560 -0.000) 1.806 13.097 ( 2.475 -1.963 0.000) 3.159 13.106 ( 1.349 -4.531 0.000) 4.728 13.266 ( 0.614 3.568 -0.000) 3.620 13.315 ( -3.145 -8.293 0.000) 8.870 13.360 ( -2.405 -5.034 0.000) 5.579 13.677 ( -1.718 7.586 -0.000) 7.778 13.793 ( -1.447 -0.425 -0.000) 1.508 13.882 ( 3.545 12.864 -0.000) 13.343 13.901 ( -0.697 -3.167 0.000) 3.242 14.070 ( -4.035 -1.830 -0.000) 4.430 14.251 ( 8.728 -8.025 0.000) 11.856 14.339 ( -7.896 -3.140 -0.000) 8.498 14.463 ( -6.090 1.073 -0.000) 6.183 17.707 ( 9.161 -1.289 0.000) 9.252 18.012 ( -8.806 26.354 -0.000) 27.787 18.013 ( 9.255 -6.405 0.000) 11.255 18.721 ( 11.442 -10.728 0.000) 15.685 19.149 ( -7.563 0.014 -0.000) 7.563 19.240 ( -2.684 5.428 -0.000) 6.055 ======================= Grid point 69 (50/63) ======================= q-point: ( 0.22 0.58 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -7.300 1.777 -4.658) 8.840 1.782 ( -4.559 -4.666 4.781) 8.088 1.915 ( -2.668 1.315 3.757) 4.792 2.105 ( 6.645 -1.074 5.568) 8.735 2.233 ( 5.557 0.899 2.534) 6.173 2.367 ( 3.344 1.285 15.877) 16.276 2.443 ( 5.682 -5.130 4.120) 8.694 2.580 ( 0.136 0.361 1.188) 1.249 2.672 ( -5.760 -0.980 -0.095) 5.844 2.817 ( 4.123 -5.361 -3.184) 7.476 2.970 ( -1.783 -8.861 -2.469) 9.370 3.053 ( 3.259 3.926 0.915) 5.184 3.118 ( 7.926 1.936 2.313) 8.480 3.226 ( -1.220 6.880 -0.379) 6.997 3.267 ( 3.750 -0.260 0.652) 3.815 3.372 ( 7.160 -6.649 -2.894) 10.191 3.575 ( 6.482 4.984 -2.844) 8.657 3.667 ( 4.624 5.361 7.167) 10.074 3.740 ( 9.121 -3.397 4.449) 10.702 3.895 ( 3.604 -12.382 0.837) 12.923 4.181 ( -1.863 12.204 -2.805) 12.660 4.267 ( -0.746 8.828 3.351) 9.473 4.426 ( -9.147 10.415 0.415) 13.867 4.528 ( -0.023 4.165 -3.411) 5.383 4.720 ( 3.466 11.868 0.858) 12.393 4.871 ( -3.887 -2.654 -3.465) 5.845 4.879 ( -5.192 4.406 -3.399) 7.611 5.022 ( -11.000 5.818 -1.655) 12.553 5.524 ( -3.228 -9.406 4.624) 10.967 5.724 ( -6.973 5.297 3.763) 9.531 5.839 ( -5.702 1.850 4.198) 7.318 5.903 ( 5.064 3.358 -0.748) 6.122 5.930 ( -2.494 -0.861 -0.067) 2.640 6.040 ( -3.265 -3.479 -1.375) 4.965 6.109 ( 1.675 -2.114 -0.986) 2.872 6.151 ( 4.776 -0.187 -1.578) 5.033 6.272 ( -0.165 -0.571 -2.985) 3.043 6.496 ( 0.603 -3.156 2.665) 4.175 6.581 ( 0.305 -0.666 -3.419) 3.497 6.700 ( -17.811 -1.199 -1.174) 17.890 6.829 ( -1.860 2.757 5.789) 6.676 6.934 ( -6.384 0.724 0.562) 6.449 7.181 ( 2.055 -1.538 5.257) 5.850 7.323 ( 3.605 -1.875 8.838) 9.727 7.418 ( -1.851 1.502 -2.035) 3.135 7.600 ( -2.574 -0.864 -1.867) 3.295 7.729 ( 1.038 -8.032 -1.275) 8.199 7.821 ( 7.358 -2.048 -6.605) 10.097 7.964 ( -4.597 8.585 0.263) 9.742 8.053 ( 10.609 3.262 2.252) 11.325 8.131 ( 11.082 -7.296 1.944) 13.410 8.365 ( 12.291 -1.116 -7.073) 14.225 8.659 ( 7.383 0.277 -6.875) 10.092 9.036 ( 2.414 1.365 4.337) 5.148 9.236 ( 0.332 2.638 0.514) 2.708 9.271 ( -0.705 -3.609 2.345) 4.362 9.354 ( -3.559 -3.509 -2.110) 5.425 9.521 ( 1.165 -2.242 -0.715) 2.626 9.580 ( -2.381 0.053 -0.426) 2.420 10.243 ( 5.154 7.728 0.708) 9.316 10.676 ( -4.982 -6.606 0.838) 8.316 10.775 ( -4.980 -2.468 0.852) 5.623 12.035 ( -1.197 -0.715 0.081) 1.397 12.313 ( -3.717 6.366 -0.273) 7.377 13.001 ( -0.631 -0.682 -0.767) 1.205 13.024 ( 2.712 -3.450 -1.089) 4.522 13.051 ( 1.272 -2.613 0.461) 2.943 13.182 ( -0.661 -5.587 -3.588) 6.673 13.268 ( -0.981 -4.325 -0.517) 4.465 13.360 ( 1.575 5.655 1.248) 6.001 13.751 ( 1.956 -4.633 0.795) 5.091 13.820 ( -3.328 5.806 0.957) 6.760 13.873 ( -0.827 -0.430 -0.605) 1.112 13.978 ( -0.830 -0.405 -0.461) 1.032 14.102 ( 0.057 4.782 -1.629) 5.052 14.182 ( 1.324 -4.364 -4.631) 6.499 14.246 ( -4.047 -5.848 -1.154) 7.205 14.531 ( -9.643 5.064 0.978) 10.935 17.721 ( 13.576 -1.062 -4.090) 14.219 17.877 ( 7.304 -2.606 5.452) 9.480 18.413 ( -3.667 6.613 4.042) 8.574 18.515 ( 5.260 0.971 0.492) 5.371 19.077 ( -11.048 -1.525 4.835) 12.156 19.337 ( 1.221 4.331 1.285) 4.679 ======================= Grid point 70 (51/63) ======================= q-point: ( 0.23 0.57 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -14.018 -0.000 -6.449) 15.431 1.566 ( -8.588 -0.000 2.069) 8.834 1.873 ( -5.843 -0.000 3.787) 6.963 2.239 ( 3.830 0.000 8.093) 8.954 2.287 ( -4.933 -0.000 7.543) 9.013 2.500 ( -8.427 -0.000 6.596) 10.702 2.518 ( 1.788 -0.000 -7.908) 8.108 2.538 ( 6.255 0.000 3.721) 7.278 2.622 ( 9.433 0.000 9.058) 13.078 2.827 ( 1.318 0.000 -0.164) 1.328 2.992 ( 4.427 0.000 -1.099) 4.561 3.041 ( -4.347 -0.000 1.122) 4.490 3.177 ( -3.728 -0.000 -4.084) 5.530 3.339 ( 19.112 0.000 1.908) 19.207 3.468 ( 7.549 0.000 3.273) 8.228 3.513 ( 2.382 0.000 0.633) 2.465 3.772 ( -0.554 -0.000 -6.734) 6.757 3.793 ( 0.616 0.000 0.438) 0.756 3.944 ( 21.714 0.000 -1.749) 21.785 4.075 ( 20.256 0.000 0.394) 20.260 4.235 ( -5.267 -0.000 6.208) 8.141 4.255 ( -12.070 -0.000 3.203) 12.487 4.359 ( 2.378 0.000 1.608) 2.871 4.563 ( -0.961 -0.000 -2.844) 3.002 4.659 ( -4.521 -0.000 -6.397) 7.833 4.729 ( -2.494 -0.000 -1.983) 3.187 4.817 ( -20.114 -0.000 -0.049) 20.114 4.929 ( -8.696 -0.000 -0.875) 8.740 5.123 ( -1.410 0.000 7.547) 7.678 5.519 ( -13.959 -0.000 -4.159) 14.565 5.610 ( -15.472 -0.000 3.367) 15.835 5.847 ( -3.869 -0.000 2.720) 4.729 5.974 ( -2.001 -0.000 0.086) 2.003 6.066 ( -7.437 -0.000 -2.507) 7.848 6.072 ( -0.735 0.000 3.499) 3.576 6.203 ( -4.895 -0.000 -2.072) 5.316 6.348 ( 2.702 0.000 -8.327) 8.755 6.384 ( 4.633 0.000 1.607) 4.904 6.575 ( -1.762 -0.000 -6.055) 6.306 6.674 ( 5.268 0.000 6.464) 8.338 6.742 ( 4.847 0.000 4.963) 6.937 6.778 ( -6.124 -0.000 -0.378) 6.136 7.197 ( -5.514 -0.000 -0.274) 5.521 7.433 ( 3.790 0.000 3.081) 4.884 7.434 ( 0.017 -0.000 -4.382) 4.382 7.542 ( 7.735 0.000 1.664) 7.912 7.866 ( 8.546 0.000 -1.270) 8.640 7.884 ( 2.957 0.000 -0.745) 3.049 8.075 ( -3.595 -0.000 -2.495) 4.376 8.203 ( 13.595 0.000 3.347) 14.001 8.314 ( 9.151 0.000 2.407) 9.462 8.679 ( 15.811 0.000 -3.441) 16.181 8.910 ( 12.357 0.000 -3.358) 12.805 9.017 ( -10.995 -0.000 2.365) 11.246 9.166 ( -8.973 -0.000 -2.813) 9.403 9.181 ( 5.639 0.000 5.137) 7.628 9.310 ( 0.816 0.000 1.500) 1.708 9.449 ( -7.792 -0.000 -0.464) 7.806 9.604 ( 7.016 0.000 -2.502) 7.449 10.348 ( -16.788 -0.000 3.289) 17.108 10.489 ( 8.419 0.000 -0.275) 8.423 10.695 ( -1.341 -0.000 -0.034) 1.342 12.024 ( 1.583 0.000 0.346) 1.620 12.225 ( -8.151 -0.000 -0.621) 8.174 12.997 ( 0.917 0.000 0.632) 1.113 13.040 ( 0.919 0.000 -0.217) 0.945 13.059 ( 2.113 0.000 -1.312) 2.487 13.143 ( 1.725 0.000 -2.417) 2.969 13.239 ( 1.081 0.000 -0.914) 1.416 13.518 ( 3.850 0.000 4.325) 5.790 13.743 ( 3.566 0.000 0.127) 3.568 13.793 ( -4.180 -0.000 1.815) 4.557 13.795 ( -5.276 -0.000 1.032) 5.376 13.912 ( -2.339 -0.000 -3.496) 4.206 14.111 ( 0.069 -0.000 -2.533) 2.533 14.118 ( -4.517 -0.000 -4.258) 6.208 14.183 ( 4.040 0.000 -2.680) 4.848 14.409 ( -6.132 -0.000 0.912) 6.199 18.016 ( 5.596 0.000 7.914) 9.692 18.032 ( 7.138 0.000 2.892) 7.702 18.260 ( -10.581 -0.000 -4.921) 11.670 18.758 ( -14.519 -0.000 1.805) 14.631 18.777 ( 18.289 0.000 -0.226) 18.290 19.391 ( -1.125 -0.000 1.816) 2.136 ======================= Grid point 74 (52/63) ======================= q-point: ( 0.23 -0.23 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -13.699 -2.440 -0.000) 13.915 1.617 ( -9.036 -4.329 -0.000) 10.020 1.919 ( -5.382 -0.096 -0.000) 5.383 2.327 ( 0.607 3.605 -0.000) 3.656 2.368 ( -5.685 0.832 -0.000) 5.745 2.391 ( 1.595 -3.398 0.000) 3.754 2.551 ( 0.732 1.308 -0.000) 1.499 2.625 ( 8.217 -2.149 0.000) 8.493 2.666 ( 2.294 6.996 -0.000) 7.362 2.918 ( -1.184 -6.142 0.000) 6.255 3.006 ( -8.255 3.555 -0.000) 8.988 3.035 ( 5.259 -7.505 0.000) 9.164 3.089 ( -2.470 5.212 -0.000) 5.767 3.197 ( 2.950 12.577 -0.000) 12.919 3.457 ( 7.453 2.652 0.000) 7.911 3.646 ( 12.604 -11.071 0.000) 16.776 3.670 ( 6.145 3.728 -0.000) 7.187 3.706 ( 0.148 3.133 -0.000) 3.136 4.015 ( 9.712 -3.706 0.000) 10.395 4.071 ( 17.011 -1.990 0.000) 17.127 4.226 ( -0.537 6.601 -0.000) 6.623 4.302 ( 3.961 5.613 -0.000) 6.870 4.356 ( -3.786 -1.842 -0.000) 4.211 4.462 ( -0.441 2.874 -0.000) 2.908 4.573 ( -12.173 11.862 -0.000) 16.997 4.720 ( -5.915 -8.748 0.000) 10.559 4.764 ( 0.696 -4.844 0.000) 4.894 4.951 ( 2.478 8.314 -0.000) 8.675 5.320 ( -13.996 -11.749 0.000) 18.274 5.438 ( -20.306 1.379 -0.000) 20.353 5.732 ( -10.516 7.654 -0.000) 13.006 5.812 ( -9.553 -5.269 0.000) 10.909 5.983 ( -3.041 -0.901 -0.000) 3.172 6.017 ( 0.908 -2.148 0.000) 2.333 6.151 ( -14.502 3.029 -0.000) 14.815 6.220 ( 12.172 -6.210 0.000) 13.664 6.269 ( 8.822 -0.260 0.000) 8.826 6.404 ( -6.909 5.701 -0.000) 8.957 6.455 ( 3.683 -1.859 0.000) 4.125 6.577 ( 6.046 6.122 -0.000) 8.604 6.788 ( -7.679 -1.161 -0.000) 7.767 6.954 ( 2.260 -6.643 0.000) 7.017 7.210 ( -4.856 -1.242 -0.000) 5.012 7.405 ( -3.309 -1.186 -0.000) 3.516 7.413 ( 0.410 2.722 -0.000) 2.753 7.539 ( 6.973 1.444 0.000) 7.121 7.818 ( -4.242 6.235 -0.000) 7.541 7.846 ( 5.969 0.172 0.000) 5.971 7.899 ( 3.027 12.055 -0.000) 12.430 8.298 ( 8.913 2.867 0.000) 9.363 8.417 ( 12.161 -13.532 0.000) 18.194 8.641 ( 18.083 0.117 0.000) 18.083 8.830 ( 10.964 2.573 0.000) 11.261 9.039 ( -6.090 -0.211 -0.000) 6.093 9.211 ( -5.494 -2.770 -0.000) 6.153 9.261 ( -2.910 -1.205 -0.000) 3.150 9.283 ( -0.145 2.481 -0.000) 2.485 9.477 ( -4.165 -3.258 0.000) 5.288 9.613 ( 7.565 -4.503 0.000) 8.803 10.323 ( -5.552 6.249 -0.000) 8.359 10.536 ( -0.664 -5.231 0.000) 5.273 10.701 ( -3.297 -0.475 -0.000) 3.331 12.028 ( 0.941 -0.216 0.000) 0.966 12.209 ( -5.223 1.053 -0.000) 5.328 12.980 ( -0.187 1.415 -0.000) 1.427 13.071 ( 1.735 -2.746 0.000) 3.249 13.087 ( 0.881 -3.290 0.000) 3.406 13.160 ( 2.243 -4.348 0.000) 4.892 13.250 ( 0.190 -1.587 0.000) 1.598 13.428 ( 3.129 8.546 -0.000) 9.101 13.738 ( -5.300 5.141 -0.000) 7.383 13.770 ( -0.110 -0.138 0.000) 0.176 13.870 ( 1.614 -2.352 0.000) 2.853 13.926 ( -2.812 -4.307 0.000) 5.144 14.055 ( -5.065 1.849 -0.000) 5.392 14.178 ( -0.081 -1.713 0.000) 1.715 14.207 ( 5.588 -11.546 0.000) 12.827 14.343 ( -7.028 6.462 -0.000) 9.548 18.020 ( 12.202 3.641 0.000) 12.734 18.087 ( -19.977 12.162 -0.000) 23.388 18.129 ( 11.553 -4.113 0.000) 12.263 18.779 ( -5.896 -2.319 -0.000) 6.336 18.878 ( 6.882 -7.367 0.000) 10.081 19.354 ( -1.102 5.335 -0.000) 5.448 ======================= Grid point 75 (53/63) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -10.737 -0.000 -0.000) 10.737 1.328 ( -11.211 -0.000 -0.000) 11.211 1.830 ( -1.140 -0.000 -0.000) 1.140 2.081 ( -21.668 -0.000 -0.000) 21.668 2.197 ( -15.999 -0.000 -0.000) 15.999 2.484 ( 6.090 0.000 0.000) 6.090 2.519 ( -6.831 -0.000 -0.000) 6.831 2.600 ( -2.168 -0.000 -0.000) 2.168 2.834 ( -11.163 -0.000 -0.000) 11.163 2.859 ( 0.607 0.000 0.000) 0.607 2.875 ( -5.216 -0.000 -0.000) 5.216 2.894 ( 8.698 0.000 0.000) 8.698 3.111 ( -0.463 -0.000 -0.000) 0.463 3.458 ( -5.548 -0.000 -0.000) 5.548 3.581 ( -6.323 -0.000 -0.000) 6.323 3.715 ( 7.592 0.000 0.000) 7.592 3.736 ( 2.941 0.000 0.000) 2.941 3.869 ( 21.431 0.000 0.000) 21.431 4.012 ( -20.575 -0.000 -0.000) 20.575 4.225 ( -5.515 -0.000 -0.000) 5.515 4.250 ( 4.596 0.000 0.000) 4.596 4.305 ( -17.867 -0.000 -0.000) 17.867 4.369 ( -17.407 -0.000 -0.000) 17.407 4.491 ( 17.112 0.000 0.000) 17.112 4.547 ( 21.175 0.000 0.000) 21.175 4.725 ( 0.147 0.000 0.000) 0.147 4.804 ( 18.152 0.000 0.000) 18.152 4.895 ( 6.167 0.000 0.000) 6.167 4.916 ( -26.753 -0.000 -0.000) 26.753 5.300 ( -13.573 -0.000 -0.000) 13.573 5.369 ( 12.994 0.000 0.000) 12.994 5.650 ( -16.656 -0.000 -0.000) 16.656 5.878 ( -6.767 -0.000 -0.000) 6.767 5.924 ( -0.930 -0.000 -0.000) 0.930 5.973 ( 2.134 0.000 0.000) 2.134 6.326 ( -4.645 -0.000 -0.000) 4.645 6.345 ( 0.002 0.000 0.000) 0.002 6.368 ( 3.723 0.000 0.000) 3.723 6.589 ( -8.588 -0.000 -0.000) 8.588 6.626 ( 7.743 0.000 0.000) 7.743 6.865 ( -1.698 -0.000 -0.000) 1.698 6.992 ( 12.113 0.000 0.000) 12.113 7.140 ( 12.282 0.000 0.000) 12.282 7.334 ( 0.054 0.000 0.000) 0.054 7.633 ( 2.642 0.000 0.000) 2.642 7.732 ( 7.089 0.000 0.000) 7.089 7.818 ( -13.370 -0.000 -0.000) 13.370 7.882 ( -1.875 -0.000 -0.000) 1.875 8.020 ( 5.020 0.000 0.000) 5.020 8.449 ( 1.307 0.000 0.000) 1.307 8.593 ( 15.250 0.000 0.000) 15.250 8.791 ( -12.352 -0.000 -0.000) 12.352 8.878 ( -13.673 -0.000 -0.000) 13.673 9.002 ( 14.936 0.000 0.000) 14.936 9.123 ( 8.995 0.000 0.000) 8.995 9.266 ( -7.581 -0.000 -0.000) 7.581 9.331 ( -1.023 -0.000 -0.000) 1.023 9.333 ( 4.652 0.000 0.000) 4.652 9.807 ( 14.590 0.000 0.000) 14.590 10.016 ( -16.424 -0.000 -0.000) 16.424 10.639 ( -3.837 -0.000 -0.000) 3.837 10.650 ( 5.784 0.000 0.000) 5.784 12.065 ( -5.501 -0.000 -0.000) 5.501 12.118 ( 6.649 0.000 0.000) 6.649 13.003 ( -0.069 -0.000 -0.000) 0.069 13.054 ( -0.832 -0.000 -0.000) 0.832 13.069 ( 1.394 0.000 0.000) 1.394 13.192 ( 2.491 0.000 0.000) 2.491 13.254 ( 1.187 0.000 0.000) 1.187 13.643 ( 1.141 0.000 0.000) 1.141 13.723 ( -1.458 -0.000 -0.000) 1.458 13.771 ( -2.282 -0.000 -0.000) 2.282 13.796 ( 1.997 0.000 0.000) 1.997 13.902 ( 6.005 0.000 0.000) 6.005 13.949 ( -3.979 -0.000 -0.000) 3.979 14.113 ( 2.145 0.000 0.000) 2.145 14.261 ( 5.791 0.000 0.000) 5.791 14.308 ( -3.913 -0.000 -0.000) 3.913 17.709 ( -23.405 -0.000 -0.000) 23.405 18.045 ( -11.197 -0.000 -0.000) 11.197 18.414 ( 13.798 0.000 0.000) 13.798 18.558 ( -2.404 -0.000 -0.000) 2.404 19.107 ( 12.018 0.000 0.000) 12.018 19.358 ( -4.047 -0.000 -0.000) 4.047 ======================= Grid point 90 (54/63) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.000 0.000 20.027) 20.027 1.725 ( -0.000 0.000 2.347) 2.347 1.777 ( -0.000 0.000 24.610) 24.610 2.050 ( 0.000 -0.000 -15.365) 15.365 2.059 ( -0.000 0.000 5.806) 5.806 2.067 ( -0.000 0.000 22.933) 22.933 2.123 ( -0.000 0.000 4.503) 4.503 2.536 ( -0.000 0.000 29.163) 29.163 2.595 ( 0.000 -0.000 -5.058) 5.058 2.801 ( -0.000 0.000 1.240) 1.240 2.862 ( -0.000 0.000 0.836) 0.836 2.977 ( 0.000 -0.000 -7.556) 7.556 2.989 ( 0.000 -0.000 -2.715) 2.715 3.062 ( 0.000 -0.000 -1.885) 1.885 3.369 ( -0.000 0.000 8.058) 8.058 3.418 ( 0.000 -0.000 -2.988) 2.988 3.444 ( -0.000 0.000 7.494) 7.494 3.594 ( -0.000 0.000 4.731) 4.731 3.642 ( 0.000 -0.000 -6.383) 6.383 3.698 ( 0.000 -0.000 -9.357) 9.357 4.017 ( -0.000 0.000 14.782) 14.782 4.441 ( -0.000 0.000 4.666) 4.666 4.737 ( 0.000 -0.000 -4.573) 4.573 4.749 ( 0.000 -0.000 -0.479) 0.479 4.960 ( 0.000 -0.000 -14.127) 14.127 5.016 ( 0.000 -0.000 -3.074) 3.074 5.075 ( 0.000 -0.000 -2.121) 2.121 5.263 ( -0.000 0.000 3.576) 3.576 5.447 ( 0.000 -0.000 -4.507) 4.507 5.756 ( -0.000 0.000 9.979) 9.979 5.781 ( -0.000 0.000 8.097) 8.097 5.840 ( -0.000 0.000 3.991) 3.991 5.923 ( -0.000 0.000 1.403) 1.403 5.945 ( -0.000 0.000 0.309) 0.309 6.096 ( 0.000 -0.000 -3.222) 3.222 6.206 ( 0.000 -0.000 -1.310) 1.310 6.237 ( -0.000 0.000 0.131) 0.131 6.449 ( 0.000 -0.000 -1.278) 1.278 6.490 ( 0.000 -0.000 -0.861) 0.861 6.731 ( -0.000 0.000 4.483) 4.483 6.905 ( -0.000 0.000 12.370) 12.370 6.948 ( -0.000 0.000 4.291) 4.291 6.995 ( -0.000 0.000 5.233) 5.233 7.334 ( 0.000 -0.000 -1.713) 1.713 7.442 ( 0.000 -0.000 -5.740) 5.740 7.557 ( -0.000 0.000 3.339) 3.339 7.647 ( 0.000 -0.000 -4.308) 4.308 7.692 ( 0.000 -0.000 -6.789) 6.789 7.911 ( -0.000 0.000 3.804) 3.804 8.055 ( 0.000 -0.000 -3.705) 3.705 8.211 ( 0.000 -0.000 -0.296) 0.296 8.303 ( 0.000 -0.000 -7.248) 7.248 8.768 ( 0.000 -0.000 -12.478) 12.478 8.917 ( -0.000 0.000 7.299) 7.299 9.180 ( -0.000 0.000 1.953) 1.953 9.240 ( -0.000 0.000 0.517) 0.517 9.423 ( 0.000 -0.000 -3.258) 3.258 9.512 ( 0.000 -0.000 -1.058) 1.058 9.627 ( -0.000 0.000 0.850) 0.850 10.263 ( 0.000 -0.000 -1.469) 1.469 10.603 ( -0.000 0.000 1.192) 1.192 10.772 ( -0.000 0.000 3.982) 3.982 12.045 ( -0.000 0.000 0.187) 0.187 12.476 ( 0.000 -0.000 -0.964) 0.964 12.947 ( -0.000 0.000 0.671) 0.671 12.967 ( 0.000 -0.000 -1.388) 1.388 13.040 ( 0.000 -0.000 -1.094) 1.094 13.217 ( -0.000 0.000 0.620) 0.620 13.258 ( 0.000 -0.000 -8.128) 8.128 13.383 ( -0.000 0.000 1.602) 1.602 13.624 ( -0.000 0.000 0.774) 0.774 13.913 ( -0.000 0.000 1.025) 1.025 13.913 ( 0.000 -0.000 -4.582) 4.582 14.103 ( 0.000 -0.000 -1.007) 1.007 14.115 ( -0.000 0.000 0.340) 0.340 14.217 ( 0.000 -0.000 -2.766) 2.766 14.220 ( 0.000 -0.000 -3.235) 3.235 14.725 ( -0.000 0.000 0.047) 0.047 17.591 ( -0.000 0.000 13.953) 13.953 17.635 ( 0.000 -0.000 -8.680) 8.680 18.135 ( -0.000 0.000 5.588) 5.588 18.712 ( -0.000 0.000 4.410) 4.410 19.049 ( -0.000 0.000 9.152) 9.152 19.334 ( -0.000 0.000 0.909) 0.909 ======================= Grid point 93 (55/63) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -0.000 10.073 -0.000) 10.073 1.797 ( -0.000 17.823 -0.000) 17.823 2.014 ( 0.000 -5.241 0.000) 5.241 2.112 ( -0.000 22.938 -0.000) 22.938 2.303 ( -0.000 0.585 -0.000) 0.585 2.334 ( 0.000 -16.405 0.000) 16.405 2.463 ( -0.000 12.791 -0.000) 12.791 2.673 ( 0.000 -7.766 0.000) 7.766 2.773 ( 0.000 -3.660 0.000) 3.660 2.798 ( -0.000 0.948 -0.000) 0.948 2.826 ( -0.000 18.067 -0.000) 18.067 3.107 ( -0.000 5.890 -0.000) 5.890 3.113 ( 0.000 -5.333 0.000) 5.333 3.186 ( -0.000 14.903 -0.000) 14.903 3.258 ( 0.000 -20.598 0.000) 20.598 3.273 ( 0.000 -3.772 0.000) 3.772 3.537 ( 0.000 -3.314 0.000) 3.314 3.556 ( 0.000 -12.497 0.000) 12.497 3.699 ( -0.000 8.795 -0.000) 8.795 3.822 ( -0.000 3.749 -0.000) 3.749 3.996 ( -0.000 28.864 -0.000) 28.864 4.158 ( 0.000 -12.906 0.000) 12.906 4.212 ( -0.000 18.345 -0.000) 18.345 4.272 ( -0.000 0.133 -0.000) 0.133 4.424 ( -0.000 2.960 -0.000) 2.960 4.874 ( -0.000 5.135 -0.000) 5.135 4.985 ( -0.000 13.194 -0.000) 13.194 5.082 ( 0.000 -14.814 0.000) 14.814 5.566 ( 0.000 -2.321 0.000) 2.321 5.671 ( -0.000 10.673 -0.000) 10.673 5.856 ( -0.000 4.427 -0.000) 4.427 5.862 ( 0.000 -0.153 0.000) 0.153 6.037 ( -0.000 1.745 -0.000) 1.745 6.125 ( 0.000 -6.489 0.000) 6.489 6.211 ( 0.000 -8.484 0.000) 8.484 6.293 ( 0.000 -5.695 0.000) 5.695 6.304 ( -0.000 4.568 -0.000) 4.568 6.334 ( 0.000 -3.539 0.000) 3.539 6.657 ( -0.000 9.628 -0.000) 9.628 6.818 ( -0.000 12.071 -0.000) 12.071 6.881 ( -0.000 1.530 -0.000) 1.530 6.925 ( 0.000 -17.715 0.000) 17.715 7.197 ( -0.000 14.125 -0.000) 14.125 7.340 ( -0.000 5.580 -0.000) 5.580 7.487 ( 0.000 -3.175 0.000) 3.175 7.579 ( 0.000 -2.350 0.000) 2.350 7.773 ( 0.000 -3.663 0.000) 3.663 7.841 ( -0.000 5.239 -0.000) 5.239 7.853 ( 0.000 -3.087 0.000) 3.087 8.131 ( 0.000 -6.461 0.000) 6.461 8.170 ( 0.000 -9.366 0.000) 9.366 8.270 ( 0.000 -16.899 0.000) 16.899 8.464 ( -0.000 3.628 -0.000) 3.628 9.057 ( 0.000 -1.743 0.000) 1.743 9.145 ( -0.000 3.068 -0.000) 3.068 9.272 ( -0.000 1.439 -0.000) 1.439 9.492 ( 0.000 -4.712 0.000) 4.712 9.580 ( -0.000 2.213 -0.000) 2.213 9.591 ( 0.000 -7.949 0.000) 7.949 10.007 ( -0.000 11.949 -0.000) 11.949 10.861 ( 0.000 -5.858 0.000) 5.858 10.902 ( 0.000 -1.186 0.000) 1.186 12.085 ( 0.000 -3.097 0.000) 3.097 12.180 ( -0.000 7.598 -0.000) 7.598 13.023 ( 0.000 -0.100 0.000) 0.100 13.060 ( 0.000 -3.009 0.000) 3.009 13.088 ( 0.000 -5.936 0.000) 5.936 13.258 ( -0.000 3.983 -0.000) 3.983 13.357 ( 0.000 -9.653 0.000) 9.653 13.390 ( 0.000 -5.773 0.000) 5.773 13.699 ( -0.000 8.965 -0.000) 8.965 13.810 ( 0.000 -0.604 0.000) 0.604 13.839 ( -0.000 14.866 -0.000) 14.866 13.921 ( 0.000 -7.786 0.000) 7.786 14.121 ( 0.000 -3.378 0.000) 3.378 14.137 ( 0.000 -3.323 0.000) 3.323 14.462 ( 0.000 -7.695 0.000) 7.695 14.504 ( -0.000 7.299 -0.000) 7.299 17.605 ( 0.000 -6.050 0.000) 6.050 17.905 ( 0.000 -4.611 0.000) 4.611 18.112 ( -0.000 29.413 -0.000) 29.413 18.573 ( 0.000 -11.420 0.000) 11.420 19.198 ( -0.000 7.305 -0.000) 7.305 19.313 ( 0.000 -1.611 0.000) 1.611 ======================= Grid point 94 (56/63) ======================= q-point: ( 0.30 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.000 7.838 -8.178) 11.327 1.823 ( 0.000 -3.473 7.096) 7.901 1.926 ( 0.000 -9.482 12.811) 15.938 2.060 ( -0.000 6.510 -0.594) 6.537 2.176 ( 0.000 -2.497 1.725) 3.035 2.282 ( 0.000 -12.412 13.518) 18.352 2.413 ( 0.000 -2.910 3.324) 4.418 2.563 ( -0.000 0.760 8.321) 8.356 2.723 ( -0.000 9.160 -2.377) 9.463 2.863 ( 0.000 -11.114 -2.082) 11.307 2.938 ( -0.000 -1.123 3.757) 3.922 2.976 ( 0.000 -3.355 -4.443) 5.568 3.060 ( 0.000 -4.911 -2.263) 5.407 3.119 ( -0.000 8.187 -0.902) 8.236 3.228 ( 0.000 -6.085 9.011) 10.873 3.408 ( -0.000 11.190 -6.039) 12.715 3.476 ( 0.000 -1.819 -0.777) 1.978 3.588 ( -0.000 1.281 5.505) 5.652 3.668 ( -0.000 3.971 6.238) 7.394 3.875 ( 0.000 -16.117 2.698) 16.341 4.178 ( -0.000 6.830 -1.020) 6.905 4.354 ( -0.000 10.880 0.982) 10.924 4.498 ( -0.000 16.347 -9.302) 18.808 4.547 ( -0.000 14.970 3.282) 15.326 4.633 ( -0.000 12.185 -3.186) 12.595 4.885 ( 0.000 -2.158 -5.121) 5.557 4.943 ( -0.000 1.484 -1.864) 2.383 5.229 ( -0.000 12.413 -0.560) 12.425 5.432 ( 0.000 -6.203 3.194) 6.977 5.829 ( -0.000 7.185 3.083) 7.819 5.864 ( -0.000 1.275 1.204) 1.754 5.887 ( -0.000 0.438 2.276) 2.318 5.965 ( 0.000 -4.794 3.090) 5.703 6.073 ( 0.000 -6.758 0.805) 6.805 6.102 ( -0.000 2.345 0.994) 2.547 6.186 ( 0.000 -1.812 0.070) 1.813 6.239 ( 0.000 -1.041 -0.350) 1.098 6.451 ( 0.000 -0.514 -5.109) 5.135 6.555 ( 0.000 -13.616 1.587) 13.708 6.858 ( -0.000 8.339 1.941) 8.562 6.927 ( 0.000 0.199 -1.529) 1.542 7.053 ( -0.000 6.536 -1.509) 6.708 7.159 ( 0.000 -8.511 4.946) 9.844 7.264 ( -0.000 0.254 14.919) 14.922 7.493 ( 0.000 -1.654 -5.843) 6.072 7.550 ( -0.000 0.966 -0.307) 1.014 7.684 ( 0.000 -4.976 -0.429) 4.994 7.814 ( 0.000 -18.492 0.279) 18.494 7.928 ( -0.000 3.704 1.786) 4.112 7.941 ( -0.000 2.458 0.333) 2.480 8.062 ( -0.000 9.951 -1.818) 10.116 8.197 ( 0.000 -4.431 -8.903) 9.945 8.577 ( 0.000 -0.890 -8.982) 9.026 9.003 ( -0.000 1.059 4.704) 4.822 9.222 ( -0.000 3.018 -0.049) 3.019 9.282 ( 0.000 -2.007 2.182) 2.965 9.395 ( 0.000 -3.676 -2.143) 4.255 9.499 ( 0.000 -2.676 -1.340) 2.992 9.616 ( -0.000 1.694 0.302) 1.721 10.181 ( -0.000 6.319 0.341) 6.328 10.709 ( 0.000 -7.681 0.359) 7.689 10.855 ( 0.000 -1.623 1.920) 2.513 12.053 ( 0.000 -0.492 0.200) 0.531 12.354 ( -0.000 8.690 -0.380) 8.698 12.989 ( 0.000 -3.954 -0.937) 4.063 13.019 ( 0.000 -2.404 -0.006) 2.404 13.029 ( 0.000 -0.873 -0.545) 1.029 13.193 ( 0.000 -7.042 -3.801) 8.002 13.283 ( 0.000 -5.649 -0.498) 5.671 13.342 ( -0.000 4.885 0.868) 4.961 13.723 ( 0.000 -6.557 1.257) 6.676 13.859 ( 0.000 -0.814 -3.020) 3.128 13.880 ( -0.000 9.459 1.870) 9.642 13.988 ( -0.000 -0.071 2.618) 2.619 14.103 ( -0.000 6.590 -3.055) 7.264 14.172 ( 0.000 -2.794 -5.023) 5.748 14.298 ( 0.000 -9.107 -0.225) 9.110 14.652 ( -0.000 6.478 -0.230) 6.482 17.552 ( 0.000 -4.058 -5.267) 6.649 17.793 ( -0.000 -2.183 5.445) 5.866 18.314 ( 0.000 -8.443 4.656) 9.641 18.591 ( -0.000 17.465 1.329) 17.515 19.217 ( -0.000 -0.884 7.110) 7.164 19.308 ( -0.000 3.947 0.468) 3.975 ======================= Grid point 95 (57/63) ======================= q-point: ( 0.32 0.48 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -10.736 -0.000 -1.544) 10.847 1.715 ( -4.934 -0.000 4.797) 6.882 2.007 ( -6.357 -0.000 0.073) 6.357 2.020 ( 12.179 0.000 3.017) 12.547 2.257 ( 6.764 0.000 3.896) 7.806 2.358 ( 15.099 0.000 12.490) 19.595 2.426 ( 4.072 0.000 7.911) 8.897 2.558 ( 0.746 0.000 2.298) 2.416 2.590 ( -5.666 -0.000 -3.910) 6.884 2.832 ( 0.067 -0.000 -1.868) 1.870 2.871 ( -3.243 -0.000 -3.318) 4.640 3.028 ( 12.091 0.000 6.024) 13.508 3.074 ( 1.543 0.000 1.716) 2.308 3.306 ( 8.492 0.000 7.202) 11.135 3.318 ( -8.445 -0.000 -2.602) 8.837 3.511 ( -2.565 -0.000 6.383) 6.879 3.536 ( 13.999 0.000 -2.213) 14.172 3.704 ( 11.816 0.000 -2.533) 12.084 3.722 ( 6.152 0.000 -1.157) 6.260 3.747 ( 2.150 0.000 11.775) 11.970 4.265 ( 2.708 0.000 5.095) 5.770 4.408 ( -5.375 -0.000 -5.717) 7.847 4.546 ( -2.197 -0.000 -1.777) 2.826 4.552 ( -12.490 -0.000 -0.583) 12.504 4.757 ( 0.306 -0.000 -4.669) 4.679 4.846 ( -8.886 -0.000 -4.476) 9.950 5.056 ( -0.207 -0.000 -1.768) 1.780 5.181 ( -12.720 -0.000 2.285) 12.923 5.269 ( -10.356 -0.000 1.675) 10.491 5.773 ( -8.559 -0.000 3.771) 9.353 5.851 ( -6.003 -0.000 4.403) 7.444 5.925 ( -3.009 -0.000 3.815) 4.859 5.962 ( -0.386 -0.000 -4.916) 4.932 5.975 ( 4.578 0.000 1.662) 4.871 6.118 ( -1.510 -0.000 -2.026) 2.527 6.137 ( 8.774 0.000 -5.273) 10.237 6.266 ( 1.670 0.000 -2.337) 2.872 6.511 ( 10.471 0.000 2.726) 10.820 6.593 ( 4.696 0.000 -2.683) 5.408 6.681 ( -20.958 -0.000 -0.027) 20.958 6.768 ( -6.192 -0.000 6.199) 8.762 6.927 ( -7.615 -0.000 1.652) 7.792 7.258 ( 0.131 0.000 6.391) 6.393 7.367 ( 4.330 0.000 7.340) 8.522 7.400 ( 2.606 0.000 -0.114) 2.609 7.468 ( -4.100 -0.000 -4.859) 6.357 7.679 ( 7.757 0.000 -2.297) 8.090 7.748 ( 6.900 0.000 -4.871) 8.446 8.061 ( 3.783 0.000 -2.286) 4.420 8.076 ( 7.879 0.000 3.318) 8.549 8.117 ( 1.655 0.000 2.046) 2.632 8.363 ( 12.495 0.000 -8.053) 14.865 8.664 ( 9.112 0.000 -6.114) 10.973 9.077 ( 3.845 0.000 5.561) 6.761 9.180 ( -4.437 -0.000 2.753) 5.222 9.275 ( 1.076 0.000 0.552) 1.209 9.313 ( -3.763 -0.000 -2.998) 4.811 9.506 ( 2.292 0.000 -2.060) 3.082 9.584 ( -4.577 -0.000 0.019) 4.577 10.319 ( 6.656 0.000 -0.752) 6.698 10.603 ( -4.096 -0.000 1.328) 4.306 10.749 ( -5.903 -0.000 2.058) 6.252 12.030 ( -1.390 -0.000 0.221) 1.407 12.387 ( -6.275 -0.000 -0.588) 6.303 12.979 ( 0.672 0.000 1.809) 1.930 12.987 ( 3.222 0.000 -0.983) 3.369 13.030 ( 0.595 0.000 -0.593) 0.840 13.124 ( 0.102 -0.000 -5.314) 5.315 13.225 ( 0.313 0.000 -0.171) 0.356 13.441 ( 2.853 0.000 1.839) 3.394 13.670 ( 2.765 0.000 0.394) 2.793 13.844 ( -0.682 -0.000 -1.812) 1.936 13.909 ( -4.259 -0.000 2.785) 5.089 14.011 ( -6.458 -0.000 -0.951) 6.527 14.106 ( 1.211 0.000 -1.256) 1.744 14.134 ( -0.154 -0.000 -4.038) 4.041 14.191 ( -0.910 -0.000 -2.607) 2.761 14.593 ( -9.966 -0.000 1.278) 10.048 17.706 ( 15.660 0.000 -4.688) 16.347 17.860 ( 7.016 0.000 6.886) 9.831 18.378 ( 13.023 0.000 3.477) 13.480 18.623 ( -12.249 -0.000 0.758) 12.273 19.062 ( -11.880 -0.000 5.238) 12.984 19.381 ( 1.634 0.000 1.302) 2.089 ======================= Grid point 99 (58/63) ======================= q-point: ( 0.32 -0.32 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -6.658 3.380 -0.000) 7.467 1.810 ( -7.246 -4.997 0.000) 8.802 1.965 ( -2.995 1.978 -0.000) 3.589 2.181 ( 8.773 -6.874 0.000) 11.145 2.267 ( 5.524 0.429 0.000) 5.541 2.422 ( 5.477 -0.525 0.000) 5.502 2.498 ( 0.659 1.312 -0.000) 1.468 2.627 ( -3.743 2.706 -0.000) 4.619 2.753 ( 6.877 -15.948 0.000) 17.367 2.767 ( -4.445 4.355 -0.000) 6.223 2.926 ( 1.649 -10.014 0.000) 10.149 3.054 ( 0.632 4.436 -0.000) 4.481 3.126 ( 5.523 10.746 -0.000) 12.083 3.227 ( -6.970 5.729 -0.000) 9.022 3.302 ( 16.654 -11.019 0.000) 19.970 3.312 ( 2.139 8.337 -0.000) 8.607 3.550 ( 5.569 5.284 -0.000) 7.677 3.743 ( -1.231 10.686 -0.000) 10.756 3.774 ( 9.534 -4.772 0.000) 10.662 3.890 ( 1.658 -14.072 0.000) 14.169 4.181 ( 5.823 10.111 -0.000) 11.668 4.296 ( -5.489 15.041 -0.000) 16.011 4.452 ( -5.005 7.806 -0.000) 9.273 4.456 ( 1.592 -0.113 0.000) 1.596 4.773 ( 3.878 24.165 -0.000) 24.474 4.800 ( -1.649 -8.526 0.000) 8.684 4.841 ( -6.363 -3.569 0.000) 7.295 5.008 ( -13.409 5.915 -0.000) 14.656 5.567 ( -0.240 -10.993 0.000) 10.995 5.771 ( -9.669 5.568 -0.000) 11.158 5.863 ( -3.521 1.569 -0.000) 3.854 5.906 ( -0.988 5.231 -0.000) 5.324 5.924 ( -1.222 1.036 -0.000) 1.602 6.023 ( -0.455 -3.117 0.000) 3.150 6.099 ( -1.064 -3.882 0.000) 4.025 6.146 ( 2.551 -3.768 0.000) 4.551 6.244 ( 1.841 0.789 0.000) 2.002 6.521 ( 3.554 1.475 0.000) 3.848 6.542 ( -3.757 -4.835 0.000) 6.123 6.686 ( -19.050 -0.346 -0.000) 19.053 6.889 ( 1.916 3.496 -0.000) 3.987 6.936 ( -6.024 1.289 -0.000) 6.160 7.239 ( 0.695 -7.054 0.000) 7.088 7.389 ( 1.949 2.083 -0.000) 2.852 7.483 ( -0.468 2.246 -0.000) 2.294 7.534 ( -3.187 -1.319 -0.000) 3.450 7.729 ( 1.274 -3.707 0.000) 3.920 7.729 ( 4.048 -6.223 0.000) 7.424 7.963 ( -5.027 7.291 -0.000) 8.856 8.073 ( 10.806 3.295 0.000) 11.297 8.197 ( 9.741 -8.389 0.000) 12.856 8.253 ( 16.705 -0.851 0.000) 16.726 8.594 ( 9.130 0.820 0.000) 9.167 9.077 ( 1.490 2.013 -0.000) 2.505 9.241 ( 1.513 4.302 -0.000) 4.560 9.298 ( -1.020 -1.803 0.000) 2.072 9.331 ( -3.473 -6.704 0.000) 7.551 9.511 ( 2.612 -3.602 0.000) 4.450 9.575 ( -3.867 0.673 -0.000) 3.925 10.249 ( 5.552 6.770 -0.000) 8.755 10.684 ( -4.380 -6.356 0.000) 7.720 10.785 ( -6.105 -1.680 -0.000) 6.332 12.036 ( -1.282 -0.565 -0.000) 1.401 12.310 ( -3.611 6.122 -0.000) 7.108 12.993 ( -1.007 0.664 -0.000) 1.206 13.014 ( 2.802 -3.668 0.000) 4.616 13.058 ( 1.713 -1.997 0.000) 2.631 13.145 ( -0.465 -7.684 0.000) 7.698 13.262 ( -0.990 -3.497 0.000) 3.634 13.373 ( 1.895 5.792 -0.000) 6.094 13.757 ( 1.393 -4.480 0.000) 4.691 13.839 ( 0.870 -1.886 0.000) 2.077 13.850 ( -4.210 8.892 -0.000) 9.838 13.999 ( -3.695 -2.148 0.000) 4.274 14.093 ( 0.961 5.063 -0.000) 5.154 14.115 ( 2.780 -4.641 0.000) 5.410 14.236 ( -4.618 -6.382 0.000) 7.878 14.540 ( -9.061 5.298 -0.000) 10.496 17.679 ( 14.837 -1.484 0.000) 14.911 17.929 ( 7.468 -1.758 0.000) 7.672 18.456 ( -13.110 16.689 -0.000) 21.223 18.515 ( 13.304 -9.008 0.000) 16.067 19.125 ( -12.228 -1.186 -0.000) 12.285 19.351 ( 1.122 4.273 -0.000) 4.418 ======================= Grid point 100 (59/63) ======================= q-point: ( 0.33 -0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -15.996 -0.000 -0.000) 15.996 1.558 ( -10.311 -0.000 -0.000) 10.311 1.949 ( -5.392 -0.000 -0.000) 5.392 2.325 ( 4.074 0.000 0.000) 4.074 2.380 ( -5.285 -0.000 -0.000) 5.285 2.393 ( 2.625 0.000 0.000) 2.625 2.543 ( -1.739 -0.000 -0.000) 1.739 2.577 ( 4.571 0.000 0.000) 4.571 2.745 ( 2.523 0.000 0.000) 2.523 2.842 ( 0.769 0.000 0.000) 0.769 2.971 ( 9.172 0.000 0.000) 9.172 3.034 ( -10.427 -0.000 -0.000) 10.427 3.149 ( -1.875 -0.000 -0.000) 1.875 3.348 ( 17.399 0.000 0.000) 17.399 3.520 ( 9.253 0.000 0.000) 9.253 3.530 ( -2.591 -0.000 -0.000) 2.591 3.698 ( 0.597 0.000 0.000) 0.597 3.748 ( -5.613 -0.000 -0.000) 5.613 3.930 ( 23.032 0.000 0.000) 23.032 4.062 ( 20.351 0.000 0.000) 20.351 4.324 ( -3.725 -0.000 -0.000) 3.725 4.328 ( -12.049 -0.000 -0.000) 12.049 4.374 ( 1.327 0.000 0.000) 1.327 4.536 ( -1.402 -0.000 -0.000) 1.402 4.569 ( -3.091 -0.000 -0.000) 3.091 4.696 ( 0.376 0.000 0.000) 0.376 4.817 ( -21.255 -0.000 -0.000) 21.255 4.920 ( -6.725 -0.000 -0.000) 6.725 5.227 ( 1.099 0.000 0.000) 1.099 5.450 ( -22.174 -0.000 -0.000) 22.174 5.640 ( -16.184 -0.000 -0.000) 16.184 5.883 ( -3.943 -0.000 -0.000) 3.943 5.973 ( -2.388 -0.000 -0.000) 2.388 6.037 ( -6.141 -0.000 -0.000) 6.141 6.110 ( 16.105 0.000 0.000) 16.105 6.184 ( -20.972 -0.000 -0.000) 20.972 6.267 ( 7.742 0.000 0.000) 7.742 6.438 ( 9.404 0.000 0.000) 9.404 6.475 ( -7.893 -0.000 -0.000) 7.893 6.742 ( 6.671 0.000 0.000) 6.671 6.773 ( -8.147 -0.000 -0.000) 8.147 6.788 ( 4.682 0.000 0.000) 4.682 7.193 ( -7.224 -0.000 -0.000) 7.224 7.388 ( -5.013 -0.000 -0.000) 5.013 7.475 ( 7.045 0.000 0.000) 7.045 7.551 ( 8.452 0.000 0.000) 8.452 7.857 ( 9.170 0.000 0.000) 9.170 7.876 ( 5.590 0.000 0.000) 5.590 8.050 ( -4.443 -0.000 -0.000) 4.443 8.242 ( 12.458 0.000 0.000) 12.458 8.333 ( 8.793 0.000 0.000) 8.793 8.643 ( 18.279 0.000 0.000) 18.279 8.879 ( 12.930 0.000 0.000) 12.930 9.044 ( -10.488 -0.000 -0.000) 10.488 9.134 ( -9.216 -0.000 -0.000) 9.216 9.236 ( 4.669 0.000 0.000) 4.669 9.326 ( 1.197 0.000 0.000) 1.197 9.443 ( -8.018 -0.000 -0.000) 8.018 9.575 ( 7.303 0.000 0.000) 7.303 10.381 ( -16.317 -0.000 -0.000) 16.317 10.486 ( 8.680 0.000 0.000) 8.680 10.695 ( -1.617 -0.000 -0.000) 1.617 12.027 ( 1.691 0.000 0.000) 1.691 12.219 ( -8.143 -0.000 -0.000) 8.143 13.006 ( -0.252 -0.000 -0.000) 0.252 13.041 ( 2.092 0.000 0.000) 2.092 13.043 ( 1.047 0.000 0.000) 1.047 13.114 ( 3.727 0.000 0.000) 3.727 13.234 ( 0.681 0.000 0.000) 0.681 13.563 ( 5.403 0.000 0.000) 5.403 13.737 ( 3.217 0.000 0.000) 3.217 13.815 ( -6.241 -0.000 -0.000) 6.241 13.833 ( 0.959 0.000 0.000) 0.959 13.856 ( -5.794 -0.000 -0.000) 5.794 14.071 ( -6.403 -0.000 -0.000) 6.403 14.082 ( 0.842 0.000 0.000) 0.842 14.158 ( 3.638 0.000 0.000) 3.638 14.419 ( -6.794 -0.000 -0.000) 6.794 18.059 ( 18.763 0.000 0.000) 18.763 18.089 ( 6.006 0.000 0.000) 6.006 18.214 ( -22.663 -0.000 -0.000) 22.663 18.776 ( 17.830 0.000 0.000) 17.830 18.777 ( -16.303 -0.000 -0.000) 16.303 19.409 ( -0.635 -0.000 -0.000) 0.635 ======================= Grid point 120 (60/63) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.000 0.000 2.370) 2.370 1.802 ( 0.000 -0.000 -10.607) 10.607 1.821 ( -0.000 0.000 13.526) 13.526 2.102 ( -0.000 0.000 3.694) 3.694 2.136 ( -0.000 0.000 10.292) 10.292 2.164 ( -0.000 0.000 1.207) 1.207 2.384 ( -0.000 0.000 5.361) 5.361 2.546 ( -0.000 0.000 5.792) 5.792 2.716 ( 0.000 -0.000 -2.143) 2.143 2.834 ( -0.000 0.000 0.637) 0.637 2.881 ( 0.000 -0.000 -2.348) 2.348 2.914 ( 0.000 -0.000 -5.665) 5.665 3.030 ( 0.000 -0.000 -1.397) 1.397 3.175 ( -0.000 0.000 23.244) 23.244 3.380 ( 0.000 -0.000 -0.453) 0.453 3.452 ( -0.000 0.000 0.184) 0.184 3.557 ( 0.000 -0.000 -5.405) 5.405 3.581 ( -0.000 0.000 6.235) 6.235 3.604 ( -0.000 0.000 2.520) 2.520 3.730 ( -0.000 0.000 10.254) 10.254 4.239 ( -0.000 0.000 9.008) 9.008 4.425 ( 0.000 -0.000 -7.345) 7.345 4.692 ( -0.000 0.000 1.074) 1.074 4.694 ( 0.000 -0.000 -14.022) 14.022 4.709 ( 0.000 -0.000 -3.223) 3.223 4.952 ( 0.000 -0.000 -3.310) 3.310 5.021 ( 0.000 -0.000 -3.386) 3.386 5.323 ( -0.000 0.000 2.671) 2.671 5.377 ( 0.000 -0.000 -2.824) 2.824 5.884 ( -0.000 0.000 2.403) 2.403 5.905 ( -0.000 0.000 5.271) 5.271 5.917 ( -0.000 0.000 4.063) 4.063 5.942 ( -0.000 0.000 0.764) 0.764 5.965 ( -0.000 0.000 1.328) 1.328 6.093 ( -0.000 0.000 4.332) 4.332 6.200 ( -0.000 0.000 0.420) 0.420 6.208 ( 0.000 -0.000 -2.638) 2.638 6.414 ( 0.000 -0.000 -2.208) 2.208 6.419 ( 0.000 -0.000 -5.735) 5.735 6.848 ( -0.000 0.000 6.644) 6.644 6.929 ( 0.000 -0.000 -0.524) 0.524 7.083 ( -0.000 0.000 3.891) 3.891 7.255 ( -0.000 0.000 19.076) 19.076 7.316 ( 0.000 -0.000 -0.498) 0.498 7.374 ( 0.000 -0.000 -1.204) 1.204 7.553 ( 0.000 -0.000 -8.025) 8.025 7.581 ( 0.000 -0.000 -2.718) 2.718 7.606 ( -0.000 0.000 1.346) 1.346 7.970 ( -0.000 0.000 2.446) 2.446 7.996 ( 0.000 -0.000 -2.518) 2.518 8.137 ( 0.000 -0.000 -10.681) 10.681 8.204 ( 0.000 -0.000 -0.373) 0.373 8.562 ( 0.000 -0.000 -8.852) 8.852 9.032 ( -0.000 0.000 4.932) 4.932 9.225 ( -0.000 0.000 2.988) 2.988 9.256 ( -0.000 0.000 0.981) 0.981 9.357 ( 0.000 -0.000 -3.829) 3.829 9.487 ( 0.000 -0.000 -1.395) 1.395 9.635 ( -0.000 0.000 0.112) 0.112 10.240 ( 0.000 -0.000 -0.950) 0.950 10.620 ( -0.000 0.000 0.648) 0.648 10.840 ( -0.000 0.000 3.008) 3.008 12.050 ( -0.000 0.000 0.255) 0.255 12.461 ( 0.000 -0.000 -0.548) 0.548 12.946 ( 0.000 -0.000 -0.840) 0.840 12.972 ( -0.000 0.000 2.082) 2.082 13.024 ( 0.000 -0.000 -0.645) 0.645 13.126 ( 0.000 -0.000 -6.262) 6.262 13.222 ( -0.000 0.000 0.054) 0.054 13.409 ( -0.000 0.000 1.064) 1.064 13.638 ( -0.000 0.000 0.647) 0.647 13.849 ( 0.000 -0.000 -2.391) 2.391 13.955 ( -0.000 0.000 3.433) 3.433 14.089 ( 0.000 -0.000 -0.532) 0.532 14.120 ( -0.000 0.000 0.207) 0.207 14.145 ( 0.000 -0.000 -4.684) 4.684 14.168 ( 0.000 -0.000 -2.318) 2.318 14.726 ( -0.000 0.000 0.042) 0.042 17.510 ( 0.000 -0.000 -4.869) 4.869 17.776 ( -0.000 0.000 6.379) 6.379 18.219 ( -0.000 0.000 3.403) 3.403 18.772 ( -0.000 0.000 2.200) 2.200 19.208 ( -0.000 0.000 7.225) 7.225 19.348 ( -0.000 0.000 0.566) 0.566 ======================= Grid point 124 (61/63) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -0.000 6.902 -0.000) 6.902 1.878 ( 0.000 -7.345 0.000) 7.345 2.050 ( -0.000 7.211 -0.000) 7.211 2.082 ( 0.000 -10.045 0.000) 10.045 2.200 ( 0.000 -4.255 0.000) 4.255 2.349 ( -0.000 2.772 -0.000) 2.772 2.419 ( 0.000 -14.210 0.000) 14.210 2.689 ( -0.000 10.164 -0.000) 10.164 2.754 ( 0.000 -2.576 0.000) 2.576 2.838 ( 0.000 -11.513 0.000) 11.513 2.897 ( 0.000 -6.704 0.000) 6.704 2.998 ( 0.000 -12.450 0.000) 12.450 3.023 ( -0.000 2.473 -0.000) 2.473 3.086 ( -0.000 11.082 -0.000) 11.082 3.325 ( -0.000 7.994 -0.000) 7.994 3.345 ( -0.000 14.395 -0.000) 14.395 3.489 ( 0.000 -1.645 0.000) 1.645 3.663 ( 0.000 -3.068 0.000) 3.068 3.749 ( -0.000 12.406 -0.000) 12.406 3.882 ( 0.000 -14.988 0.000) 14.988 4.087 ( -0.000 13.819 -0.000) 13.819 4.411 ( -0.000 10.318 -0.000) 10.318 4.444 ( 0.000 -2.278 0.000) 2.278 4.495 ( -0.000 17.095 -0.000) 17.095 4.665 ( -0.000 25.238 -0.000) 25.238 4.816 ( 0.000 -10.283 0.000) 10.283 4.924 ( -0.000 0.250 -0.000) 0.250 5.222 ( -0.000 10.471 -0.000) 10.471 5.462 ( 0.000 -7.456 0.000) 7.456 5.863 ( -0.000 8.253 -0.000) 8.253 5.871 ( -0.000 2.094 -0.000) 2.094 5.897 ( -0.000 0.108 -0.000) 0.108 6.012 ( 0.000 -4.359 0.000) 4.359 6.069 ( 0.000 -5.564 0.000) 5.564 6.097 ( -0.000 4.367 -0.000) 4.367 6.237 ( 0.000 -1.366 0.000) 1.366 6.241 ( 0.000 -4.919 0.000) 4.919 6.367 ( -0.000 0.628 -0.000) 0.628 6.570 ( 0.000 -16.305 0.000) 16.305 6.879 ( -0.000 10.782 -0.000) 10.782 6.910 ( -0.000 1.180 -0.000) 1.180 7.036 ( -0.000 8.413 -0.000) 8.413 7.223 ( 0.000 -9.559 0.000) 9.559 7.422 ( 0.000 -2.638 0.000) 2.638 7.440 ( -0.000 9.129 -0.000) 9.129 7.533 ( 0.000 -1.318 0.000) 1.318 7.675 ( 0.000 -6.302 0.000) 6.302 7.817 ( 0.000 -20.604 0.000) 20.604 7.947 ( -0.000 4.444 -0.000) 4.444 8.014 ( 0.000 -4.425 0.000) 4.425 8.031 ( 0.000 -4.011 0.000) 4.011 8.044 ( -0.000 10.907 -0.000) 10.907 8.491 ( 0.000 -0.479 0.000) 0.479 9.050 ( -0.000 1.247 -0.000) 1.247 9.222 ( -0.000 3.892 -0.000) 3.892 9.304 ( -0.000 0.359 -0.000) 0.359 9.374 ( 0.000 -6.625 0.000) 6.625 9.484 ( 0.000 -2.622 0.000) 2.622 9.619 ( -0.000 1.538 -0.000) 1.538 10.184 ( -0.000 5.361 -0.000) 5.361 10.712 ( 0.000 -7.514 0.000) 7.514 10.874 ( 0.000 -0.867 0.000) 0.867 12.055 ( 0.000 -0.423 0.000) 0.423 12.351 ( -0.000 8.601 -0.000) 8.601 12.980 ( 0.000 -4.148 0.000) 4.148 13.019 ( 0.000 -0.207 0.000) 0.207 13.023 ( 0.000 -0.827 0.000) 0.827 13.155 ( 0.000 -9.499 0.000) 9.499 13.276 ( 0.000 -4.926 0.000) 4.926 13.351 ( -0.000 4.997 -0.000) 4.997 13.735 ( 0.000 -6.818 0.000) 6.818 13.832 ( 0.000 -0.781 0.000) 0.781 13.897 ( -0.000 10.396 -0.000) 10.396 14.051 ( 0.000 -3.157 0.000) 3.157 14.072 ( -0.000 7.606 -0.000) 7.606 14.087 ( 0.000 -1.691 0.000) 1.691 14.296 ( 0.000 -8.968 0.000) 8.968 14.650 ( -0.000 6.730 -0.000) 6.730 17.504 ( 0.000 -3.795 0.000) 3.795 17.842 ( 0.000 -1.568 0.000) 1.568 18.356 ( 0.000 -9.357 0.000) 9.357 18.603 ( -0.000 18.335 -0.000) 18.335 19.288 ( 0.000 -0.897 0.000) 0.897 19.312 ( -0.000 4.036 -0.000) 4.036 ======================= Grid point 125 (62/63) ======================= q-point: ( 0.42 0.58 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -10.960 -0.000 -0.000) 10.960 1.747 ( -5.745 -0.000 -0.000) 5.745 2.019 ( -3.837 -0.000 -0.000) 3.837 2.076 ( 11.599 0.000 0.000) 11.599 2.285 ( 6.865 0.000 0.000) 6.865 2.441 ( 6.523 0.000 0.000) 6.523 2.474 ( 9.413 0.000 0.000) 9.413 2.564 ( 4.060 0.000 0.000) 4.060 2.643 ( -4.718 -0.000 -0.000) 4.718 2.812 ( -3.628 -0.000 -0.000) 3.628 2.821 ( 1.087 0.000 0.000) 1.087 3.080 ( 12.417 0.000 0.000) 12.417 3.093 ( 3.614 0.000 0.000) 3.614 3.293 ( -9.096 -0.000 -0.000) 9.096 3.403 ( -0.518 -0.000 -0.000) 0.518 3.498 ( 14.404 0.000 0.000) 14.404 3.600 ( -3.476 -0.000 -0.000) 3.476 3.642 ( 7.318 0.000 0.000) 7.318 3.727 ( 8.001 0.000 0.000) 8.001 3.856 ( -2.332 -0.000 -0.000) 2.332 4.309 ( 0.221 0.000 0.000) 0.221 4.422 ( 8.347 0.000 0.000) 8.347 4.455 ( -6.292 -0.000 -0.000) 6.292 4.561 ( -9.071 -0.000 -0.000) 9.071 4.715 ( -0.599 -0.000 -0.000) 0.599 4.787 ( -10.724 -0.000 -0.000) 10.724 5.033 ( 0.168 0.000 0.000) 0.168 5.203 ( -13.338 -0.000 -0.000) 13.338 5.288 ( -5.071 -0.000 -0.000) 5.071 5.829 ( -12.377 -0.000 -0.000) 12.377 5.885 ( -5.778 -0.000 -0.000) 5.778 5.898 ( -2.048 -0.000 -0.000) 2.048 5.986 ( 2.563 0.000 0.000) 2.563 5.991 ( 0.908 0.000 0.000) 0.908 6.079 ( -9.590 -0.000 -0.000) 9.590 6.083 ( 8.638 0.000 0.000) 8.638 6.253 ( 6.890 0.000 0.000) 6.890 6.539 ( 13.285 0.000 0.000) 13.285 6.557 ( 2.970 0.000 0.000) 2.970 6.681 ( -22.001 -0.000 -0.000) 22.001 6.831 ( -6.357 -0.000 -0.000) 6.357 6.942 ( -8.348 -0.000 -0.000) 8.348 7.296 ( -2.165 -0.000 -0.000) 2.165 7.402 ( -0.827 -0.000 -0.000) 0.827 7.417 ( 3.314 0.000 0.000) 3.314 7.520 ( -5.803 -0.000 -0.000) 5.803 7.647 ( 10.332 0.000 0.000) 10.332 7.662 ( 8.235 0.000 0.000) 8.235 8.037 ( 3.974 0.000 0.000) 3.974 8.108 ( 11.060 0.000 0.000) 11.060 8.168 ( -1.608 -0.000 -0.000) 1.608 8.248 ( 17.164 0.000 0.000) 17.164 8.610 ( 10.824 0.000 0.000) 10.824 9.134 ( 4.369 0.000 0.000) 4.369 9.222 ( -5.806 -0.000 -0.000) 5.806 9.257 ( -2.448 -0.000 -0.000) 2.448 9.294 ( 1.239 0.000 0.000) 1.239 9.483 ( 1.690 0.000 0.000) 1.690 9.584 ( -4.700 -0.000 -0.000) 4.700 10.312 ( 6.819 0.000 0.000) 6.819 10.614 ( -3.030 -0.000 -0.000) 3.030 10.770 ( -7.126 -0.000 -0.000) 7.126 12.032 ( -1.397 -0.000 -0.000) 1.397 12.382 ( -6.305 -0.000 -0.000) 6.305 12.978 ( 3.145 0.000 0.000) 3.145 13.013 ( -0.313 -0.000 -0.000) 0.313 13.024 ( 0.619 0.000 0.000) 0.619 13.056 ( 1.566 0.000 0.000) 1.566 13.224 ( 0.221 0.000 0.000) 0.221 13.459 ( 3.649 0.000 0.000) 3.649 13.673 ( 2.449 0.000 0.000) 2.449 13.827 ( 0.000 0.000 0.000) 0.000 13.951 ( -5.443 -0.000 -0.000) 5.443 14.003 ( -7.197 -0.000 -0.000) 7.197 14.072 ( 0.214 0.000 0.000) 0.214 14.103 ( 1.503 0.000 0.000) 1.503 14.165 ( -1.547 -0.000 -0.000) 1.547 14.605 ( -9.392 -0.000 -0.000) 9.392 17.661 ( 16.337 0.000 0.000) 16.337 17.921 ( 7.462 0.000 0.000) 7.462 18.413 ( 14.002 0.000 0.000) 14.002 18.628 ( -14.619 -0.000 -0.000) 14.619 19.113 ( -12.988 -0.000 -0.000) 12.988 19.394 ( 1.691 0.000 0.000) 1.691 ======================= Grid point 151 (63/63) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.000 0.000 0.000) 0.000 1.796 ( -0.000 0.000 0.000) 0.000 1.963 ( -0.000 0.000 0.000) 0.000 2.112 ( -0.000 0.000 0.000) 0.000 2.175 ( -0.000 0.000 0.000) 0.000 2.252 ( -0.000 0.000 0.000) 0.000 2.361 ( -0.000 0.000 0.000) 0.000 2.686 ( -0.000 0.000 0.000) 0.000 2.710 ( -0.000 0.000 0.000) 0.000 2.807 ( -0.000 0.000 0.000) 0.000 2.822 ( -0.000 0.000 0.000) 0.000 2.877 ( -0.000 0.000 0.000) 0.000 3.016 ( -0.000 0.000 0.000) 0.000 3.336 ( -0.000 0.000 0.000) 0.000 3.442 ( -0.000 0.000 0.000) 0.000 3.463 ( -0.000 0.000 0.000) 0.000 3.505 ( -0.000 0.000 0.000) 0.000 3.643 ( 0.000 -0.000 -0.000) 0.000 3.645 ( -0.000 0.000 0.000) 0.000 3.873 ( -0.000 0.000 0.000) 0.000 4.302 ( -0.000 0.000 0.000) 0.000 4.326 ( -0.000 0.000 0.000) 0.000 4.536 ( -0.000 0.000 0.000) 0.000 4.670 ( 0.000 -0.000 -0.000) 0.000 4.718 ( -0.000 0.000 0.000) 0.000 4.918 ( -0.000 0.000 0.000) 0.000 4.981 ( -0.000 0.000 0.000) 0.000 5.349 ( -0.000 0.000 0.000) 0.000 5.350 ( -0.000 0.000 0.000) 0.000 5.889 ( -0.000 0.000 0.000) 0.000 5.950 ( -0.000 0.000 0.000) 0.000 5.962 ( 0.000 -0.000 -0.000) 0.000 5.966 ( -0.000 0.000 0.000) 0.000 5.970 ( 0.000 -0.000 -0.000) 0.000 6.175 ( -0.000 0.000 0.000) 0.000 6.176 ( -0.000 0.000 0.000) 0.000 6.206 ( -0.000 0.000 0.000) 0.000 6.337 ( -0.000 0.000 0.000) 0.000 6.389 ( -0.000 0.000 0.000) 0.000 6.918 ( -0.000 0.000 0.000) 0.000 6.922 ( -0.000 0.000 0.000) 0.000 7.122 ( -0.000 0.000 0.000) 0.000 7.311 ( -0.000 0.000 0.000) 0.000 7.396 ( -0.000 0.000 0.000) 0.000 7.439 ( 0.000 -0.000 -0.000) 0.000 7.533 ( -0.000 0.000 0.000) 0.000 7.555 ( -0.000 0.000 0.000) 0.000 7.562 ( 0.000 -0.000 -0.000) 0.000 7.972 ( -0.000 0.000 0.000) 0.000 7.994 ( -0.000 0.000 0.000) 0.000 7.997 ( -0.000 0.000 0.000) 0.000 8.200 ( -0.000 0.000 0.000) 0.000 8.478 ( 0.000 -0.000 -0.000) 0.000 9.080 ( -0.000 0.000 0.000) 0.000 9.266 ( -0.000 0.000 0.000) 0.000 9.285 ( -0.000 0.000 0.000) 0.000 9.289 ( 0.000 -0.000 -0.000) 0.000 9.472 ( -0.000 0.000 0.000) 0.000 9.635 ( -0.000 0.000 0.000) 0.000 10.231 ( -0.000 0.000 0.000) 0.000 10.626 ( -0.000 0.000 0.000) 0.000 10.869 ( -0.000 0.000 0.000) 0.000 12.053 ( -0.000 0.000 0.000) 0.000 12.456 ( -0.000 0.000 0.000) 0.000 12.938 ( -0.000 0.000 0.000) 0.000 13.017 ( -0.000 0.000 0.000) 0.000 13.018 ( -0.000 0.000 0.000) 0.000 13.041 ( -0.000 0.000 0.000) 0.000 13.222 ( -0.000 0.000 0.000) 0.000 13.419 ( -0.000 0.000 0.000) 0.000 13.645 ( 0.000 -0.000 -0.000) 0.000 13.827 ( -0.000 0.000 0.000) 0.000 14.013 ( -0.000 0.000 0.000) 0.000 14.070 ( 0.000 -0.000 -0.000) 0.000 14.090 ( -0.000 0.000 0.000) 0.000 14.122 ( -0.000 0.000 0.000) 0.000 14.144 ( -0.000 0.000 0.000) 0.000 14.726 ( -0.000 0.000 0.000) 0.000 17.464 ( -0.000 0.000 0.000) 0.000 17.832 ( -0.000 0.000 0.000) 0.000 18.251 ( -0.000 0.000 0.000) 0.000 18.792 ( -0.000 0.000 0.000) 0.000 19.279 ( -0.000 0.000 0.000) 0.000 19.353 ( -0.000 0.000 0.000) 0.000 =================== 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 3/25200 10.0 211.012 357.391 465.274 -0.000 -0.000 -0.000 3/25200 20.0 45.263 51.950 46.708 -0.000 -0.000 -0.000 3/25200 30.0 19.420 20.799 17.190 -0.000 -0.000 -0.000 3/25200 40.0 11.555 12.193 9.589 -0.000 -0.000 -0.000 3/25200 50.0 8.134 8.524 6.470 -0.000 -0.000 -0.000 3/25200 60.0 6.301 6.553 4.846 -0.000 -0.000 -0.000 3/25200 70.0 5.176 5.335 3.869 -0.000 -0.000 -0.000 3/25200 80.0 4.416 4.511 3.222 -0.000 -0.000 -0.000 3/25200 90.0 3.868 3.916 2.764 -0.000 -0.000 -0.000 3/25200 100.0 3.450 3.464 2.422 -0.000 -0.000 -0.000 3/25200 110.0 3.120 3.110 2.157 -0.000 -0.000 -0.000 3/25200 120.0 2.851 2.824 1.946 -0.000 -0.000 -0.000 3/25200 130.0 2.628 2.588 1.774 -0.000 -0.000 -0.000 3/25200 140.0 2.438 2.390 1.630 -0.000 -0.000 -0.000 3/25200 150.0 2.275 2.221 1.509 -0.000 -0.000 -0.000 3/25200 160.0 2.133 2.075 1.405 -0.000 -0.000 -0.000 3/25200 170.0 2.008 1.947 1.315 -0.000 -0.000 -0.000 3/25200 180.0 1.897 1.835 1.236 -0.000 -0.000 -0.000 3/25200 190.0 1.798 1.736 1.167 -0.000 -0.000 -0.000 3/25200 200.0 1.709 1.647 1.105 -0.000 -0.000 -0.000 3/25200 210.0 1.629 1.566 1.049 -0.000 -0.000 -0.000 3/25200 220.0 1.556 1.494 1.000 -0.000 -0.000 -0.000 3/25200 230.0 1.490 1.428 0.954 -0.000 -0.000 -0.000 3/25200 240.0 1.428 1.368 0.913 -0.000 -0.000 -0.000 3/25200 250.0 1.372 1.312 0.875 -0.000 -0.000 -0.000 3/25200 260.0 1.320 1.261 0.841 -0.000 -0.000 -0.000 3/25200 270.0 1.272 1.214 0.809 -0.000 -0.000 -0.000 3/25200 280.0 1.228 1.171 0.779 -0.000 -0.000 -0.000 3/25200 290.0 1.186 1.130 0.752 -0.000 -0.000 -0.000 3/25200 300.0 1.147 1.092 0.727 -0.000 -0.000 -0.000 3/25200 310.0 1.111 1.057 0.703 -0.000 -0.000 -0.000 3/25200 320.0 1.077 1.024 0.681 -0.000 -0.000 -0.000 3/25200 330.0 1.045 0.993 0.660 -0.000 -0.000 -0.000 3/25200 340.0 1.014 0.964 0.640 -0.000 -0.000 -0.000 3/25200 350.0 0.986 0.936 0.622 -0.000 -0.000 -0.000 3/25200 360.0 0.959 0.910 0.604 -0.000 -0.000 -0.000 3/25200 370.0 0.934 0.886 0.588 -0.000 -0.000 -0.000 3/25200 380.0 0.909 0.862 0.572 -0.000 -0.000 -0.000 3/25200 390.0 0.886 0.840 0.557 -0.000 -0.000 -0.000 3/25200 400.0 0.865 0.819 0.543 -0.000 -0.000 -0.000 3/25200 410.0 0.844 0.799 0.530 -0.000 -0.000 -0.000 3/25200 420.0 0.824 0.780 0.518 -0.000 -0.000 -0.000 3/25200 430.0 0.805 0.762 0.505 -0.000 -0.000 -0.000 3/25200 440.0 0.787 0.745 0.494 -0.000 -0.000 -0.000 3/25200 450.0 0.770 0.728 0.483 -0.000 -0.000 -0.000 3/25200 460.0 0.753 0.713 0.472 -0.000 -0.000 -0.000 3/25200 470.0 0.737 0.698 0.462 -0.000 -0.000 -0.000 3/25200 480.0 0.722 0.683 0.453 -0.000 -0.000 -0.000 3/25200 490.0 0.708 0.669 0.443 -0.000 -0.000 -0.000 3/25200 500.0 0.694 0.656 0.435 -0.000 -0.000 -0.000 3/25200 510.0 0.680 0.643 0.426 -0.000 -0.000 -0.000 3/25200 520.0 0.667 0.631 0.418 -0.000 -0.000 -0.000 3/25200 530.0 0.655 0.619 0.410 -0.000 -0.000 -0.000 3/25200 540.0 0.643 0.607 0.402 -0.000 -0.000 -0.000 3/25200 550.0 0.631 0.596 0.395 -0.000 -0.000 -0.000 3/25200 560.0 0.620 0.586 0.388 -0.000 -0.000 -0.000 3/25200 570.0 0.609 0.575 0.381 -0.000 -0.000 -0.000 3/25200 580.0 0.599 0.566 0.375 -0.000 -0.000 -0.000 3/25200 590.0 0.589 0.556 0.368 -0.000 -0.000 -0.000 3/25200 600.0 0.579 0.547 0.362 -0.000 -0.000 -0.000 3/25200 610.0 0.570 0.538 0.356 -0.000 -0.000 -0.000 3/25200 620.0 0.561 0.529 0.351 -0.000 -0.000 -0.000 3/25200 630.0 0.552 0.521 0.345 -0.000 -0.000 -0.000 3/25200 640.0 0.543 0.513 0.340 -0.000 -0.000 -0.000 3/25200 650.0 0.535 0.505 0.334 -0.000 -0.000 -0.000 3/25200 660.0 0.527 0.497 0.329 -0.000 -0.000 -0.000 3/25200 670.0 0.519 0.490 0.324 -0.000 -0.000 -0.000 3/25200 680.0 0.511 0.483 0.320 -0.000 -0.000 -0.000 3/25200 690.0 0.504 0.476 0.315 -0.000 -0.000 -0.000 3/25200 700.0 0.497 0.469 0.310 -0.000 -0.000 -0.000 3/25200 710.0 0.490 0.462 0.306 -0.000 -0.000 -0.000 3/25200 720.0 0.483 0.456 0.302 -0.000 -0.000 -0.000 3/25200 730.0 0.477 0.450 0.298 -0.000 -0.000 -0.000 3/25200 740.0 0.470 0.444 0.294 -0.000 -0.000 -0.000 3/25200 750.0 0.464 0.438 0.290 -0.000 -0.000 -0.000 3/25200 760.0 0.458 0.432 0.286 -0.000 -0.000 -0.000 3/25200 770.0 0.452 0.426 0.282 -0.000 -0.000 -0.000 3/25200 780.0 0.446 0.421 0.279 -0.000 -0.000 -0.000 3/25200 790.0 0.441 0.416 0.275 -0.000 -0.000 -0.000 3/25200 800.0 0.435 0.410 0.272 -0.000 -0.000 -0.000 3/25200 810.0 0.430 0.405 0.268 -0.000 -0.000 -0.000 3/25200 820.0 0.425 0.400 0.265 -0.000 -0.000 -0.000 3/25200 830.0 0.420 0.396 0.262 -0.000 -0.000 -0.000 3/25200 840.0 0.415 0.391 0.259 -0.000 -0.000 -0.000 3/25200 850.0 0.410 0.386 0.256 -0.000 -0.000 -0.000 3/25200 860.0 0.405 0.382 0.253 -0.000 -0.000 -0.000 3/25200 870.0 0.400 0.377 0.250 -0.000 -0.000 -0.000 3/25200 880.0 0.396 0.373 0.247 -0.000 -0.000 -0.000 3/25200 890.0 0.391 0.369 0.244 -0.000 -0.000 -0.000 3/25200 900.0 0.387 0.365 0.242 -0.000 -0.000 -0.000 3/25200 910.0 0.383 0.361 0.239 -0.000 -0.000 -0.000 3/25200 920.0 0.379 0.357 0.236 -0.000 -0.000 -0.000 3/25200 930.0 0.375 0.353 0.234 -0.000 -0.000 -0.000 3/25200 940.0 0.371 0.349 0.231 -0.000 -0.000 -0.000 3/25200 950.0 0.367 0.346 0.229 -0.000 -0.000 -0.000 3/25200 960.0 0.363 0.342 0.226 -0.000 -0.000 -0.000 3/25200 970.0 0.359 0.339 0.224 -0.000 -0.000 -0.000 3/25200 980.0 0.356 0.335 0.222 -0.000 -0.000 -0.000 3/25200 990.0 0.352 0.332 0.220 -0.000 -0.000 -0.000 3/25200 1000.0 0.349 0.328 0.217 -0.000 -0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m1560.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:25:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|