----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:26:19]------------------------- 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770033730024632 0.000000000000000 0.000000000000000 b 0.000000000000000 10.557372250000000 0.000000000000000 c -1.732529945150245 0.000000000000000 6.579461607587169 Atomic positions (fractional): *1 Li 0.55222384738620 0.72783435312941 0.12196808023322 6.941 2 Li 0.44777615261380 0.22783435312941 0.37803191976678 6.941 3 Li 0.55222384738620 0.77216564687059 0.62196808023322 6.941 4 Li 0.44777615261380 0.27216564687059 0.87803191976678 6.941 *5 U 0.89979684904639 0.06546387496836 0.72920843298118 238.029 6 U 0.10020315095361 0.93453612503164 0.27079156701882 238.029 7 U 0.89979684904639 0.43453612503164 0.22920843298119 238.029 8 U 0.10020315095361 0.56546387496836 0.77079156701882 238.029 *9 B 0.21515583982629 0.64871405748590 0.29717933862164 10.811 10 B 0.78484416017372 0.35128594251410 0.70282066137836 10.811 11 B 0.78484416017372 0.14871405748590 0.20282066137836 10.811 12 B 0.21515583982629 0.85128594251410 0.79717933862164 10.811 *13 O 0.86326039125176 0.09014957756230 0.38968831383332 15.999 *14 O 0.84863841437042 0.82278261913446 0.21381762675200 15.999 *15 O 0.34810562676074 0.74164226803338 0.82669147358598 15.999 *16 O 0.14871773065274 0.91444067919052 0.95171212303944 15.999 17 O 0.13673960874824 0.59014957756230 0.11031168616668 15.999 18 O 0.65189437323926 0.25835773196662 0.17330852641402 15.999 *19 O 0.34298268273452 0.05058736173365 0.31929881200026 15.999 20 O 0.14871773065274 0.58555932080948 0.45171212303944 15.999 21 O 0.85128226934726 0.08555932080948 0.04828787696056 15.999 22 O 0.13673960874824 0.90985042243770 0.61031168616668 15.999 23 O 0.86326039125176 0.40985042243770 0.88968831383332 15.999 24 O 0.84863841437042 0.67721738086554 0.71381762675200 15.999 25 O 0.85128226934726 0.41444067919052 0.54828787696056 15.999 26 O 0.65189437323926 0.24164226803338 0.67330852641402 15.999 27 O 0.34810562676074 0.75835773196662 0.32669147358598 15.999 28 O 0.15136158562958 0.32278261913446 0.28618237324800 15.999 29 O 0.65701731726548 0.55058736173365 0.18070118799974 15.999 30 O 0.34298268273452 0.44941263826635 0.81929881200026 15.999 31 O 0.65701731726548 0.94941263826635 0.68070118799974 15.999 32 O 0.15136158562958 0.17721738086554 0.78618237324800 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.770033730024632 0.000000000000000 0.000000000000000 b 0.000000000000000 10.557372250000000 0.000000000000000 c -1.732529945150245 0.000000000000000 6.579461607587169 Atomic positions (fractional): *1 Li 0.55222384738620 0.72783435312941 0.12196808023322 6.941 > 1 2 Li 0.44777615261380 0.22783435312941 0.37803191976678 6.941 > 2 3 Li 0.55222384738620 0.77216564687059 0.62196808023322 6.941 > 3 4 Li 0.44777615261380 0.27216564687059 0.87803191976678 6.941 > 4 *5 U 0.89979684904639 0.06546387496836 0.72920843298118 238.029 > 5 6 U 0.10020315095361 0.93453612503164 0.27079156701882 238.029 > 6 7 U 0.89979684904639 0.43453612503164 0.22920843298119 238.029 > 7 8 U 0.10020315095361 0.56546387496836 0.77079156701882 238.029 > 8 *9 B 0.21515583982629 0.64871405748590 0.29717933862164 10.811 > 9 10 B 0.78484416017372 0.35128594251410 0.70282066137836 10.811 > 10 11 B 0.78484416017372 0.14871405748590 0.20282066137836 10.811 > 11 12 B 0.21515583982629 0.85128594251410 0.79717933862164 10.811 > 12 *13 O 0.86326039125176 0.09014957756230 0.38968831383332 15.999 > 13 *14 O 0.84863841437042 0.82278261913446 0.21381762675200 15.999 > 14 *15 O 0.34810562676074 0.74164226803338 0.82669147358598 15.999 > 15 *16 O 0.14871773065274 0.91444067919052 0.95171212303944 15.999 > 16 17 O 0.13673960874824 0.59014957756230 0.11031168616668 15.999 > 17 18 O 0.65189437323926 0.25835773196662 0.17330852641402 15.999 > 18 *19 O 0.34298268273452 0.05058736173365 0.31929881200026 15.999 > 19 20 O 0.14871773065274 0.58555932080948 0.45171212303944 15.999 > 20 21 O 0.85128226934726 0.08555932080948 0.04828787696056 15.999 > 21 22 O 0.13673960874824 0.90985042243770 0.61031168616668 15.999 > 22 23 O 0.86326039125176 0.40985042243770 0.88968831383332 15.999 > 23 24 O 0.84863841437042 0.67721738086554 0.71381762675200 15.999 > 24 25 O 0.85128226934726 0.41444067919052 0.54828787696056 15.999 > 25 26 O 0.65189437323926 0.24164226803338 0.67330852641402 15.999 > 26 27 O 0.34810562676074 0.75835773196662 0.32669147358598 15.999 > 27 28 O 0.15136158562958 0.32278261913446 0.28618237324800 15.999 > 28 29 O 0.65701731726548 0.55058736173365 0.18070118799974 15.999 > 29 30 O 0.34298268273452 0.44941263826635 0.81929881200026 15.999 > 30 31 O 0.65701731726548 0.94941263826635 0.68070118799974 15.999 > 31 32 O 0.15136158562958 0.17721738086554 0.78618237324800 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.540067460049263 0.000000000000000 0.000000000000000 b 0.000000000000000 10.557372250000000 0.000000000000000 c -3.465059890300490 0.000000000000000 13.158923215174338 Atomic positions (fractional): *1 Li 0.27611192369310 0.72783435312941 0.06098404011661 6.941 > 1 2 Li 0.77611192369310 0.72783435312941 0.06098404011661 6.941 > 1 3 Li 0.27611192369310 0.72783435312941 0.56098404011661 6.941 > 1 4 Li 0.77611192369310 0.72783435312941 0.56098404011661 6.941 > 1 5 Li 0.22388807630690 0.22783435312941 0.18901595988339 6.941 > 2 6 Li 0.72388807630690 0.22783435312941 0.18901595988339 6.941 > 2 7 Li 0.22388807630690 0.22783435312941 0.68901595988339 6.941 > 2 8 Li 0.72388807630690 0.22783435312941 0.68901595988339 6.941 > 2 9 Li 0.27611192369310 0.77216564687059 0.31098404011661 6.941 > 3 10 Li 0.77611192369310 0.77216564687059 0.31098404011661 6.941 > 3 11 Li 0.27611192369310 0.77216564687059 0.81098404011661 6.941 > 3 12 Li 0.77611192369310 0.77216564687059 0.81098404011661 6.941 > 3 13 Li 0.22388807630690 0.27216564687059 0.43901595988339 6.941 > 4 14 Li 0.72388807630690 0.27216564687059 0.43901595988339 6.941 > 4 15 Li 0.22388807630690 0.27216564687059 0.93901595988339 6.941 > 4 16 Li 0.72388807630690 0.27216564687059 0.93901595988339 6.941 > 4 *17 U 0.44989842452319 0.06546387496836 0.36460421649059 238.029 > 5 18 U 0.94989842452319 0.06546387496836 0.36460421649059 238.029 > 5 19 U 0.44989842452319 0.06546387496836 0.86460421649059 238.029 > 5 20 U 0.94989842452319 0.06546387496836 0.86460421649059 238.029 > 5 21 U 0.05010157547681 0.93453612503164 0.13539578350941 238.029 > 6 22 U 0.55010157547681 0.93453612503164 0.13539578350941 238.029 > 6 23 U 0.05010157547681 0.93453612503164 0.63539578350941 238.029 > 6 24 U 0.55010157547681 0.93453612503164 0.63539578350941 238.029 > 6 25 U 0.44989842452319 0.43453612503164 0.11460421649059 238.029 > 7 26 U 0.94989842452319 0.43453612503164 0.11460421649059 238.029 > 7 27 U 0.44989842452319 0.43453612503164 0.61460421649059 238.029 > 7 28 U 0.94989842452319 0.43453612503164 0.61460421649059 238.029 > 7 29 U 0.05010157547681 0.56546387496836 0.38539578350941 238.029 > 8 30 U 0.55010157547681 0.56546387496836 0.38539578350941 238.029 > 8 31 U 0.05010157547681 0.56546387496836 0.88539578350941 238.029 > 8 32 U 0.55010157547681 0.56546387496836 0.88539578350941 238.029 > 8 *33 B 0.10757791991314 0.64871405748590 0.14858966931082 10.811 > 9 34 B 0.60757791991314 0.64871405748590 0.14858966931082 10.811 > 9 35 B 0.10757791991314 0.64871405748590 0.64858966931082 10.811 > 9 36 B 0.60757791991314 0.64871405748590 0.64858966931082 10.811 > 9 37 B 0.39242208008686 0.35128594251410 0.35141033068918 10.811 > 10 38 B 0.89242208008686 0.35128594251410 0.35141033068918 10.811 > 10 39 B 0.39242208008686 0.35128594251410 0.85141033068918 10.811 > 10 40 B 0.89242208008686 0.35128594251410 0.85141033068918 10.811 > 10 41 B 0.39242208008686 0.14871405748590 0.10141033068918 10.811 > 11 42 B 0.89242208008686 0.14871405748590 0.10141033068918 10.811 > 11 43 B 0.39242208008686 0.14871405748590 0.60141033068918 10.811 > 11 44 B 0.89242208008686 0.14871405748590 0.60141033068918 10.811 > 11 45 B 0.10757791991314 0.85128594251410 0.39858966931082 10.811 > 12 46 B 0.60757791991314 0.85128594251410 0.39858966931082 10.811 > 12 47 B 0.10757791991314 0.85128594251410 0.89858966931082 10.811 > 12 48 B 0.60757791991314 0.85128594251410 0.89858966931082 10.811 > 12 *49 O 0.43163019562588 0.09014957756230 0.19484415691666 15.999 > 13 50 O 0.93163019562588 0.09014957756230 0.19484415691666 15.999 > 13 51 O 0.43163019562588 0.09014957756230 0.69484415691666 15.999 > 13 52 O 0.93163019562588 0.09014957756230 0.69484415691666 15.999 > 13 *53 O 0.42431920718521 0.82278261913446 0.10690881337600 15.999 > 14 54 O 0.92431920718521 0.82278261913446 0.10690881337600 15.999 > 14 55 O 0.42431920718521 0.82278261913446 0.60690881337600 15.999 > 14 56 O 0.92431920718521 0.82278261913446 0.60690881337600 15.999 > 14 *57 O 0.17405281338037 0.74164226803338 0.41334573679299 15.999 > 15 58 O 0.67405281338037 0.74164226803338 0.41334573679299 15.999 > 15 59 O 0.17405281338037 0.74164226803338 0.91334573679299 15.999 > 15 60 O 0.67405281338037 0.74164226803338 0.91334573679299 15.999 > 15 *61 O 0.07435886532637 0.91444067919052 0.47585606151972 15.999 > 16 62 O 0.57435886532637 0.91444067919052 0.47585606151972 15.999 > 16 63 O 0.07435886532637 0.91444067919052 0.97585606151972 15.999 > 16 64 O 0.57435886532637 0.91444067919052 0.97585606151972 15.999 > 16 65 O 0.06836980437412 0.59014957756230 0.05515584308334 15.999 > 17 66 O 0.56836980437412 0.59014957756230 0.05515584308334 15.999 > 17 67 O 0.06836980437412 0.59014957756230 0.55515584308334 15.999 > 17 68 O 0.56836980437412 0.59014957756230 0.55515584308334 15.999 > 17 69 O 0.32594718661963 0.25835773196662 0.08665426320701 15.999 > 18 70 O 0.82594718661963 0.25835773196662 0.08665426320701 15.999 > 18 71 O 0.32594718661963 0.25835773196662 0.58665426320701 15.999 > 18 72 O 0.82594718661963 0.25835773196662 0.58665426320701 15.999 > 18 *73 O 0.17149134136726 0.05058736173365 0.15964940600013 15.999 > 19 74 O 0.67149134136726 0.05058736173365 0.15964940600013 15.999 > 19 75 O 0.17149134136726 0.05058736173365 0.65964940600013 15.999 > 19 76 O 0.67149134136726 0.05058736173365 0.65964940600013 15.999 > 19 77 O 0.07435886532637 0.58555932080948 0.22585606151972 15.999 > 20 78 O 0.57435886532637 0.58555932080948 0.22585606151972 15.999 > 20 79 O 0.07435886532637 0.58555932080948 0.72585606151972 15.999 > 20 80 O 0.57435886532637 0.58555932080948 0.72585606151972 15.999 > 20 81 O 0.42564113467363 0.08555932080948 0.02414393848028 15.999 > 21 82 O 0.92564113467363 0.08555932080948 0.02414393848028 15.999 > 21 83 O 0.42564113467363 0.08555932080948 0.52414393848028 15.999 > 21 84 O 0.92564113467363 0.08555932080948 0.52414393848028 15.999 > 21 85 O 0.06836980437412 0.90985042243770 0.30515584308334 15.999 > 22 86 O 0.56836980437412 0.90985042243770 0.30515584308334 15.999 > 22 87 O 0.06836980437412 0.90985042243770 0.80515584308334 15.999 > 22 88 O 0.56836980437412 0.90985042243770 0.80515584308334 15.999 > 22 89 O 0.43163019562588 0.40985042243770 0.44484415691666 15.999 > 23 90 O 0.93163019562588 0.40985042243770 0.44484415691666 15.999 > 23 91 O 0.43163019562588 0.40985042243770 0.94484415691666 15.999 > 23 92 O 0.93163019562588 0.40985042243770 0.94484415691666 15.999 > 23 93 O 0.42431920718521 0.67721738086554 0.35690881337600 15.999 > 24 94 O 0.92431920718521 0.67721738086554 0.35690881337600 15.999 > 24 95 O 0.42431920718521 0.67721738086554 0.85690881337600 15.999 > 24 96 O 0.92431920718521 0.67721738086554 0.85690881337600 15.999 > 24 97 O 0.42564113467363 0.41444067919052 0.27414393848028 15.999 > 25 98 O 0.92564113467363 0.41444067919052 0.27414393848028 15.999 > 25 99 O 0.42564113467363 0.41444067919052 0.77414393848028 15.999 > 25 100 O 0.92564113467363 0.41444067919052 0.77414393848028 15.999 > 25 101 O 0.32594718661963 0.24164226803338 0.33665426320701 15.999 > 26 102 O 0.82594718661963 0.24164226803338 0.33665426320701 15.999 > 26 103 O 0.32594718661963 0.24164226803338 0.83665426320701 15.999 > 26 104 O 0.82594718661963 0.24164226803338 0.83665426320701 15.999 > 26 105 O 0.17405281338037 0.75835773196662 0.16334573679299 15.999 > 27 106 O 0.67405281338037 0.75835773196662 0.16334573679299 15.999 > 27 107 O 0.17405281338037 0.75835773196662 0.66334573679299 15.999 > 27 108 O 0.67405281338037 0.75835773196662 0.66334573679299 15.999 > 27 109 O 0.07568079281479 0.32278261913446 0.14309118662400 15.999 > 28 110 O 0.57568079281479 0.32278261913446 0.14309118662400 15.999 > 28 111 O 0.07568079281479 0.32278261913446 0.64309118662400 15.999 > 28 112 O 0.57568079281479 0.32278261913446 0.64309118662400 15.999 > 28 113 O 0.32850865863274 0.55058736173365 0.09035059399987 15.999 > 29 114 O 0.82850865863274 0.55058736173365 0.09035059399987 15.999 > 29 115 O 0.32850865863274 0.55058736173365 0.59035059399987 15.999 > 29 116 O 0.82850865863274 0.55058736173365 0.59035059399987 15.999 > 29 117 O 0.17149134136726 0.44941263826635 0.40964940600013 15.999 > 30 118 O 0.67149134136726 0.44941263826635 0.40964940600013 15.999 > 30 119 O 0.17149134136726 0.44941263826635 0.90964940600013 15.999 > 30 120 O 0.67149134136726 0.44941263826635 0.90964940600013 15.999 > 30 121 O 0.32850865863274 0.94941263826635 0.34035059399987 15.999 > 31 122 O 0.82850865863274 0.94941263826635 0.34035059399987 15.999 > 31 123 O 0.32850865863274 0.94941263826635 0.84035059399987 15.999 > 31 124 O 0.82850865863274 0.94941263826635 0.84035059399987 15.999 > 31 125 O 0.07568079281479 0.17721738086554 0.39309118662400 15.999 > 32 126 O 0.57568079281479 0.17721738086554 0.39309118662400 15.999 > 32 127 O 0.07568079281479 0.17721738086554 0.89309118662400 15.999 > 32 128 O 0.57568079281479 0.17721738086554 0.89309118662400 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1756222 0.0000000 -0.3390287 0.0000000 3.8225682 0.0000000 -0.3390147 0.0000000 4.4016098 -------------------------- Born effective charges -------------------------- 1 Li 1.5137783 -0.1242044 0.1745597 0.0721350 1.2571674 0.1217250 0.1462320 -0.0281229 1.0395154 2 Li 1.5137783 0.1242044 0.1745597 -0.0721350 1.2571674 -0.1217250 0.1462320 0.0281229 1.0395154 3 Li 1.5137783 0.1242044 0.1745597 -0.0721350 1.2571674 -0.1217250 0.1462320 0.0281229 1.0395154 4 Li 1.5137783 -0.1242044 0.1745597 0.0721350 1.2571674 0.1217250 0.1462320 -0.0281229 1.0395154 5 U 4.3575517 0.3484087 -0.5894867 0.0528505 5.3932076 0.0498152 -0.6525234 0.0847270 6.7351513 6 U 4.3575517 0.3484087 -0.5894867 0.0528505 5.3932076 0.0498152 -0.6525234 0.0847270 6.7351513 7 U 4.3575517 -0.3484087 -0.5894867 -0.0528505 5.3932076 -0.0498152 -0.6525234 -0.0847270 6.7351513 8 U 4.3575517 -0.3484087 -0.5894867 -0.0528505 5.3932076 -0.0498152 -0.6525234 -0.0847270 6.7351513 9 B 1.3246420 0.6464288 -0.5919555 1.2315438 3.3354152 0.3838253 -0.4547297 0.1390912 3.0928396 10 B 1.3246420 0.6464288 -0.5919555 1.2315438 3.3354152 0.3838253 -0.4547297 0.1390912 3.0928396 11 B 1.3246420 -0.6464288 -0.5919555 -1.2315438 3.3354152 -0.3838253 -0.4547297 -0.1390912 3.0928396 12 B 1.3246420 -0.6464288 -0.5919555 -1.2315438 3.3354152 -0.3838253 -0.4547297 -0.1390912 3.0928396 13 O -1.1728818 0.5331737 0.8381717 0.7264331 -1.7330317 0.4883959 0.7477093 0.2520873 -3.9239400 14 O -1.5871575 -0.7157652 -0.2528460 -1.0067021 -1.7239232 -0.3082391 -0.2527593 -0.2161277 -0.8203091 15 O -1.5543067 -0.0889815 -0.0595137 -0.1538771 -3.1590460 0.0174469 -0.0724789 0.0133833 -1.3306942 16 O -1.0384095 0.5772319 0.8064089 0.9187147 -1.7057028 -0.0382852 0.8356894 0.0253886 -3.9466931 17 O -1.1728818 -0.5331737 0.8381717 -0.7264331 -1.7330317 -0.4883959 0.7477093 -0.2520873 -3.9239400 18 O -1.5543067 -0.0889815 -0.0595137 -0.1538771 -3.1590460 0.0174469 -0.0724789 0.0133833 -1.3306942 19 O -1.8432167 -1.0708410 -0.3253384 -0.9732231 -1.6640865 -0.2639841 -0.2971393 -0.2845542 -0.8458701 20 O -1.0384095 -0.5772319 0.8064089 -0.9187147 -1.7057028 0.0382852 0.8356894 -0.0253886 -3.9466931 21 O -1.0384095 0.5772319 0.8064089 0.9187147 -1.7057028 -0.0382852 0.8356894 0.0253886 -3.9466931 22 O -1.1728818 0.5331737 0.8381717 0.7264331 -1.7330317 0.4883959 0.7477093 0.2520873 -3.9239400 23 O -1.1728818 -0.5331737 0.8381717 -0.7264331 -1.7330317 -0.4883959 0.7477093 -0.2520873 -3.9239400 24 O -1.5871575 0.7157652 -0.2528460 1.0067021 -1.7239232 0.3082391 -0.2527593 0.2161277 -0.8203091 25 O -1.0384095 -0.5772319 0.8064089 -0.9187147 -1.7057028 0.0382852 0.8356894 -0.0253886 -3.9466931 26 O -1.5543067 0.0889815 -0.0595137 0.1538771 -3.1590460 -0.0174469 -0.0724789 -0.0133833 -1.3306942 27 O -1.5543067 0.0889815 -0.0595137 0.1538771 -3.1590460 -0.0174469 -0.0724789 -0.0133833 -1.3306942 28 O -1.5871575 0.7157652 -0.2528460 1.0067021 -1.7239232 0.3082391 -0.2527593 0.2161277 -0.8203091 29 O -1.8432167 1.0708410 -0.3253384 0.9732231 -1.6640865 0.2639841 -0.2971393 0.2845542 -0.8458701 30 O -1.8432167 1.0708410 -0.3253384 0.9732231 -1.6640865 0.2639841 -0.2971393 0.2845542 -0.8458701 31 O -1.8432167 -1.0708410 -0.3253384 -0.9732231 -1.6640865 -0.2639841 -0.2971393 -0.2845542 -0.8458701 32 O -1.5871575 -0.7157652 -0.2528460 -1.0067021 -1.7239232 -0.3082391 -0.2527593 -0.2161277 -0.8203091 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.290 Solver_block: 200 / 960 - Time: 1.146 Solver_block: 300 / 960 - Time: 1.148 Solver_block: 400 / 960 - Time: 1.155 Solver_block: 500 / 960 - Time: 1.145 Solver_block: 600 / 960 - Time: 1.152 Solver_block: 700 / 960 - Time: 1.149 Solver_block: 800 / 960 - Time: 1.149 Solver_block: 900 / 960 - Time: 1.145 Solver_block: 960 / 960 - Time: 0.802 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.612 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 262), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:27:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:27:18]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770033730024632 0.000000000000000 0.000000000000000 b 0.000000000000000 10.557372250000000 0.000000000000000 c -1.732529945150245 0.000000000000000 6.579461607587169 Atomic positions (fractional): 1 Li 0.55222384738620 0.72783435312941 0.12196808023322 6.941 2 Li 0.44777615261380 0.22783435312941 0.37803191976678 6.941 3 Li 0.55222384738620 0.77216564687059 0.62196808023322 6.941 4 Li 0.44777615261380 0.27216564687059 0.87803191976678 6.941 5 U 0.89979684904639 0.06546387496836 0.72920843298118 238.029 6 U 0.10020315095361 0.93453612503164 0.27079156701882 238.029 7 U 0.89979684904639 0.43453612503164 0.22920843298119 238.029 8 U 0.10020315095361 0.56546387496836 0.77079156701882 238.029 9 B 0.21515583982629 0.64871405748590 0.29717933862164 10.811 10 B 0.78484416017372 0.35128594251410 0.70282066137836 10.811 11 B 0.78484416017372 0.14871405748590 0.20282066137836 10.811 12 B 0.21515583982629 0.85128594251410 0.79717933862164 10.811 13 O 0.86326039125176 0.09014957756230 0.38968831383332 15.999 14 O 0.84863841437042 0.82278261913446 0.21381762675200 15.999 15 O 0.34810562676074 0.74164226803338 0.82669147358598 15.999 16 O 0.14871773065274 0.91444067919052 0.95171212303944 15.999 17 O 0.13673960874824 0.59014957756230 0.11031168616668 15.999 18 O 0.65189437323926 0.25835773196662 0.17330852641402 15.999 19 O 0.34298268273452 0.05058736173365 0.31929881200026 15.999 20 O 0.14871773065274 0.58555932080948 0.45171212303944 15.999 21 O 0.85128226934726 0.08555932080948 0.04828787696056 15.999 22 O 0.13673960874824 0.90985042243770 0.61031168616668 15.999 23 O 0.86326039125176 0.40985042243770 0.88968831383332 15.999 24 O 0.84863841437042 0.67721738086554 0.71381762675200 15.999 25 O 0.85128226934726 0.41444067919052 0.54828787696056 15.999 26 O 0.65189437323926 0.24164226803338 0.67330852641402 15.999 27 O 0.34810562676074 0.75835773196662 0.32669147358598 15.999 28 O 0.15136158562958 0.32278261913446 0.28618237324800 15.999 29 O 0.65701731726548 0.55058736173365 0.18070118799974 15.999 30 O 0.34298268273452 0.44941263826635 0.81929881200026 15.999 31 O 0.65701731726548 0.94941263826635 0.68070118799974 15.999 32 O 0.15136158562958 0.17721738086554 0.78618237324800 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.540067460049263 0.000000000000000 0.000000000000000 b 0.000000000000000 10.557372250000000 0.000000000000000 c -3.465059890300490 0.000000000000000 13.158923215174338 Atomic positions (fractional): 1 Li 0.27611192369310 0.72783435312941 0.06098404011661 6.941 > 1 2 Li 0.77611192369310 0.72783435312941 0.06098404011661 6.941 > 1 3 Li 0.27611192369310 0.72783435312941 0.56098404011661 6.941 > 1 4 Li 0.77611192369310 0.72783435312941 0.56098404011661 6.941 > 1 5 Li 0.22388807630690 0.22783435312941 0.18901595988339 6.941 > 5 6 Li 0.72388807630690 0.22783435312941 0.18901595988339 6.941 > 5 7 Li 0.22388807630690 0.22783435312941 0.68901595988339 6.941 > 5 8 Li 0.72388807630690 0.22783435312941 0.68901595988339 6.941 > 5 9 Li 0.27611192369310 0.77216564687059 0.31098404011661 6.941 > 9 10 Li 0.77611192369310 0.77216564687059 0.31098404011661 6.941 > 9 11 Li 0.27611192369310 0.77216564687059 0.81098404011661 6.941 > 9 12 Li 0.77611192369310 0.77216564687059 0.81098404011661 6.941 > 9 13 Li 0.22388807630690 0.27216564687059 0.43901595988339 6.941 > 13 14 Li 0.72388807630690 0.27216564687059 0.43901595988339 6.941 > 13 15 Li 0.22388807630690 0.27216564687059 0.93901595988339 6.941 > 13 16 Li 0.72388807630690 0.27216564687059 0.93901595988339 6.941 > 13 17 U 0.44989842452319 0.06546387496836 0.36460421649059 238.029 > 17 18 U 0.94989842452319 0.06546387496836 0.36460421649059 238.029 > 17 19 U 0.44989842452319 0.06546387496836 0.86460421649059 238.029 > 17 20 U 0.94989842452319 0.06546387496836 0.86460421649059 238.029 > 17 21 U 0.05010157547681 0.93453612503164 0.13539578350941 238.029 > 21 22 U 0.55010157547681 0.93453612503164 0.13539578350941 238.029 > 21 23 U 0.05010157547681 0.93453612503164 0.63539578350941 238.029 > 21 24 U 0.55010157547681 0.93453612503164 0.63539578350941 238.029 > 21 25 U 0.44989842452319 0.43453612503164 0.11460421649059 238.029 > 25 26 U 0.94989842452319 0.43453612503164 0.11460421649059 238.029 > 25 27 U 0.44989842452319 0.43453612503164 0.61460421649059 238.029 > 25 28 U 0.94989842452319 0.43453612503164 0.61460421649059 238.029 > 25 29 U 0.05010157547681 0.56546387496836 0.38539578350941 238.029 > 29 30 U 0.55010157547681 0.56546387496836 0.38539578350941 238.029 > 29 31 U 0.05010157547681 0.56546387496836 0.88539578350941 238.029 > 29 32 U 0.55010157547681 0.56546387496836 0.88539578350941 238.029 > 29 33 B 0.10757791991314 0.64871405748590 0.14858966931082 10.811 > 33 34 B 0.60757791991314 0.64871405748590 0.14858966931082 10.811 > 33 35 B 0.10757791991314 0.64871405748590 0.64858966931082 10.811 > 33 36 B 0.60757791991314 0.64871405748590 0.64858966931082 10.811 > 33 37 B 0.39242208008686 0.35128594251410 0.35141033068918 10.811 > 37 38 B 0.89242208008686 0.35128594251410 0.35141033068918 10.811 > 37 39 B 0.39242208008686 0.35128594251410 0.85141033068918 10.811 > 37 40 B 0.89242208008686 0.35128594251410 0.85141033068918 10.811 > 37 41 B 0.39242208008686 0.14871405748590 0.10141033068918 10.811 > 41 42 B 0.89242208008686 0.14871405748590 0.10141033068918 10.811 > 41 43 B 0.39242208008686 0.14871405748590 0.60141033068918 10.811 > 41 44 B 0.89242208008686 0.14871405748590 0.60141033068918 10.811 > 41 45 B 0.10757791991314 0.85128594251410 0.39858966931082 10.811 > 45 46 B 0.60757791991314 0.85128594251410 0.39858966931082 10.811 > 45 47 B 0.10757791991314 0.85128594251410 0.89858966931082 10.811 > 45 48 B 0.60757791991314 0.85128594251410 0.89858966931082 10.811 > 45 49 O 0.43163019562588 0.09014957756230 0.19484415691666 15.999 > 49 50 O 0.93163019562588 0.09014957756230 0.19484415691666 15.999 > 49 51 O 0.43163019562588 0.09014957756230 0.69484415691666 15.999 > 49 52 O 0.93163019562588 0.09014957756230 0.69484415691666 15.999 > 49 53 O 0.42431920718521 0.82278261913446 0.10690881337600 15.999 > 53 54 O 0.92431920718521 0.82278261913446 0.10690881337600 15.999 > 53 55 O 0.42431920718521 0.82278261913446 0.60690881337600 15.999 > 53 56 O 0.92431920718521 0.82278261913446 0.60690881337600 15.999 > 53 57 O 0.17405281338037 0.74164226803338 0.41334573679299 15.999 > 57 58 O 0.67405281338037 0.74164226803338 0.41334573679299 15.999 > 57 59 O 0.17405281338037 0.74164226803338 0.91334573679299 15.999 > 57 60 O 0.67405281338037 0.74164226803338 0.91334573679299 15.999 > 57 61 O 0.07435886532637 0.91444067919052 0.47585606151972 15.999 > 61 62 O 0.57435886532637 0.91444067919052 0.47585606151972 15.999 > 61 63 O 0.07435886532637 0.91444067919052 0.97585606151972 15.999 > 61 64 O 0.57435886532637 0.91444067919052 0.97585606151972 15.999 > 61 65 O 0.06836980437412 0.59014957756230 0.05515584308334 15.999 > 65 66 O 0.56836980437412 0.59014957756230 0.05515584308334 15.999 > 65 67 O 0.06836980437412 0.59014957756230 0.55515584308334 15.999 > 65 68 O 0.56836980437412 0.59014957756230 0.55515584308334 15.999 > 65 69 O 0.32594718661963 0.25835773196662 0.08665426320701 15.999 > 69 70 O 0.82594718661963 0.25835773196662 0.08665426320701 15.999 > 69 71 O 0.32594718661963 0.25835773196662 0.58665426320701 15.999 > 69 72 O 0.82594718661963 0.25835773196662 0.58665426320701 15.999 > 69 73 O 0.17149134136726 0.05058736173365 0.15964940600013 15.999 > 73 74 O 0.67149134136726 0.05058736173365 0.15964940600013 15.999 > 73 75 O 0.17149134136726 0.05058736173365 0.65964940600013 15.999 > 73 76 O 0.67149134136726 0.05058736173365 0.65964940600013 15.999 > 73 77 O 0.07435886532637 0.58555932080948 0.22585606151972 15.999 > 77 78 O 0.57435886532637 0.58555932080948 0.22585606151972 15.999 > 77 79 O 0.07435886532637 0.58555932080948 0.72585606151972 15.999 > 77 80 O 0.57435886532637 0.58555932080948 0.72585606151972 15.999 > 77 81 O 0.42564113467363 0.08555932080948 0.02414393848028 15.999 > 81 82 O 0.92564113467363 0.08555932080948 0.02414393848028 15.999 > 81 83 O 0.42564113467363 0.08555932080948 0.52414393848028 15.999 > 81 84 O 0.92564113467363 0.08555932080948 0.52414393848028 15.999 > 81 85 O 0.06836980437412 0.90985042243770 0.30515584308334 15.999 > 85 86 O 0.56836980437412 0.90985042243770 0.30515584308334 15.999 > 85 87 O 0.06836980437412 0.90985042243770 0.80515584308334 15.999 > 85 88 O 0.56836980437412 0.90985042243770 0.80515584308334 15.999 > 85 89 O 0.43163019562588 0.40985042243770 0.44484415691666 15.999 > 89 90 O 0.93163019562588 0.40985042243770 0.44484415691666 15.999 > 89 91 O 0.43163019562588 0.40985042243770 0.94484415691666 15.999 > 89 92 O 0.93163019562588 0.40985042243770 0.94484415691666 15.999 > 89 93 O 0.42431920718521 0.67721738086554 0.35690881337600 15.999 > 93 94 O 0.92431920718521 0.67721738086554 0.35690881337600 15.999 > 93 95 O 0.42431920718521 0.67721738086554 0.85690881337600 15.999 > 93 96 O 0.92431920718521 0.67721738086554 0.85690881337600 15.999 > 93 97 O 0.42564113467363 0.41444067919052 0.27414393848028 15.999 > 97 98 O 0.92564113467363 0.41444067919052 0.27414393848028 15.999 > 97 99 O 0.42564113467363 0.41444067919052 0.77414393848028 15.999 > 97 100 O 0.92564113467363 0.41444067919052 0.77414393848028 15.999 > 97 101 O 0.32594718661963 0.24164226803338 0.33665426320701 15.999 > 101 102 O 0.82594718661963 0.24164226803338 0.33665426320701 15.999 > 101 103 O 0.32594718661963 0.24164226803338 0.83665426320701 15.999 > 101 104 O 0.82594718661963 0.24164226803338 0.83665426320701 15.999 > 101 105 O 0.17405281338037 0.75835773196662 0.16334573679299 15.999 > 105 106 O 0.67405281338037 0.75835773196662 0.16334573679299 15.999 > 105 107 O 0.17405281338037 0.75835773196662 0.66334573679299 15.999 > 105 108 O 0.67405281338037 0.75835773196662 0.66334573679299 15.999 > 105 109 O 0.07568079281479 0.32278261913446 0.14309118662400 15.999 > 109 110 O 0.57568079281479 0.32278261913446 0.14309118662400 15.999 > 109 111 O 0.07568079281479 0.32278261913446 0.64309118662400 15.999 > 109 112 O 0.57568079281479 0.32278261913446 0.64309118662400 15.999 > 109 113 O 0.32850865863274 0.55058736173365 0.09035059399987 15.999 > 113 114 O 0.82850865863274 0.55058736173365 0.09035059399987 15.999 > 113 115 O 0.32850865863274 0.55058736173365 0.59035059399987 15.999 > 113 116 O 0.82850865863274 0.55058736173365 0.59035059399987 15.999 > 113 117 O 0.17149134136726 0.44941263826635 0.40964940600013 15.999 > 117 118 O 0.67149134136726 0.44941263826635 0.40964940600013 15.999 > 117 119 O 0.17149134136726 0.44941263826635 0.90964940600013 15.999 > 117 120 O 0.67149134136726 0.44941263826635 0.90964940600013 15.999 > 117 121 O 0.32850865863274 0.94941263826635 0.34035059399987 15.999 > 121 122 O 0.82850865863274 0.94941263826635 0.34035059399987 15.999 > 121 123 O 0.32850865863274 0.94941263826635 0.84035059399987 15.999 > 121 124 O 0.82850865863274 0.94941263826635 0.84035059399987 15.999 > 121 125 O 0.07568079281479 0.17721738086554 0.39309118662400 15.999 > 125 126 O 0.57568079281479 0.17721738086554 0.39309118662400 15.999 > 125 127 O 0.07568079281479 0.17721738086554 0.89309118662400 15.999 > 125 128 O 0.57568079281479 0.17721738086554 0.89309118662400 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1756222 0.0000000 -0.3390287 0.0000000 3.8225682 0.0000000 -0.3390147 0.0000000 4.4016098 -------------------------- Born effective charges -------------------------- 1 Li 1.5137783 -0.1242044 0.1745597 0.0721350 1.2571674 0.1217250 0.1462320 -0.0281229 1.0395154 2 Li 1.5137783 0.1242044 0.1745597 -0.0721350 1.2571674 -0.1217250 0.1462320 0.0281229 1.0395154 3 Li 1.5137783 0.1242044 0.1745597 -0.0721350 1.2571674 -0.1217250 0.1462320 0.0281229 1.0395154 4 Li 1.5137783 -0.1242044 0.1745597 0.0721350 1.2571674 0.1217250 0.1462320 -0.0281229 1.0395154 5 U 4.3575517 0.3484087 -0.5894867 0.0528505 5.3932076 0.0498152 -0.6525234 0.0847270 6.7351513 6 U 4.3575517 0.3484087 -0.5894867 0.0528505 5.3932076 0.0498152 -0.6525234 0.0847270 6.7351513 7 U 4.3575517 -0.3484087 -0.5894867 -0.0528505 5.3932076 -0.0498152 -0.6525234 -0.0847270 6.7351513 8 U 4.3575517 -0.3484087 -0.5894867 -0.0528505 5.3932076 -0.0498152 -0.6525234 -0.0847270 6.7351513 9 B 1.3246420 0.6464288 -0.5919555 1.2315438 3.3354152 0.3838253 -0.4547297 0.1390912 3.0928396 10 B 1.3246420 0.6464288 -0.5919555 1.2315438 3.3354152 0.3838253 -0.4547297 0.1390912 3.0928396 11 B 1.3246420 -0.6464288 -0.5919555 -1.2315438 3.3354152 -0.3838253 -0.4547297 -0.1390912 3.0928396 12 B 1.3246420 -0.6464288 -0.5919555 -1.2315438 3.3354152 -0.3838253 -0.4547297 -0.1390912 3.0928396 13 O -1.1728818 0.5331737 0.8381717 0.7264331 -1.7330317 0.4883959 0.7477093 0.2520873 -3.9239400 14 O -1.5871575 -0.7157652 -0.2528460 -1.0067021 -1.7239232 -0.3082391 -0.2527593 -0.2161277 -0.8203091 15 O -1.5543067 -0.0889815 -0.0595137 -0.1538771 -3.1590460 0.0174469 -0.0724789 0.0133833 -1.3306942 16 O -1.0384095 0.5772319 0.8064089 0.9187147 -1.7057028 -0.0382852 0.8356894 0.0253886 -3.9466931 17 O -1.1728818 -0.5331737 0.8381717 -0.7264331 -1.7330317 -0.4883959 0.7477093 -0.2520873 -3.9239400 18 O -1.5543067 -0.0889815 -0.0595137 -0.1538771 -3.1590460 0.0174469 -0.0724789 0.0133833 -1.3306942 19 O -1.8432167 -1.0708410 -0.3253384 -0.9732231 -1.6640865 -0.2639841 -0.2971393 -0.2845542 -0.8458701 20 O -1.0384095 -0.5772319 0.8064089 -0.9187147 -1.7057028 0.0382852 0.8356894 -0.0253886 -3.9466931 21 O -1.0384095 0.5772319 0.8064089 0.9187147 -1.7057028 -0.0382852 0.8356894 0.0253886 -3.9466931 22 O -1.1728818 0.5331737 0.8381717 0.7264331 -1.7330317 0.4883959 0.7477093 0.2520873 -3.9239400 23 O -1.1728818 -0.5331737 0.8381717 -0.7264331 -1.7330317 -0.4883959 0.7477093 -0.2520873 -3.9239400 24 O -1.5871575 0.7157652 -0.2528460 1.0067021 -1.7239232 0.3082391 -0.2527593 0.2161277 -0.8203091 25 O -1.0384095 -0.5772319 0.8064089 -0.9187147 -1.7057028 0.0382852 0.8356894 -0.0253886 -3.9466931 26 O -1.5543067 0.0889815 -0.0595137 0.1538771 -3.1590460 -0.0174469 -0.0724789 -0.0133833 -1.3306942 27 O -1.5543067 0.0889815 -0.0595137 0.1538771 -3.1590460 -0.0174469 -0.0724789 -0.0133833 -1.3306942 28 O -1.5871575 0.7157652 -0.2528460 1.0067021 -1.7239232 0.3082391 -0.2527593 0.2161277 -0.8203091 29 O -1.8432167 1.0708410 -0.3253384 0.9732231 -1.6640865 0.2639841 -0.2971393 0.2845542 -0.8458701 30 O -1.8432167 1.0708410 -0.3253384 0.9732231 -1.6640865 0.2639841 -0.2971393 0.2845542 -0.8458701 31 O -1.8432167 -1.0708410 -0.3253384 -0.9732231 -1.6640865 -0.2639841 -0.2971393 -0.2845542 -0.8458701 32 O -1.5871575 -0.7157652 -0.2528460 -1.0067021 -1.7239232 -0.3082391 -0.2527593 -0.2161277 -0.8203091 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:28:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:28:04]------------------------- 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.770033730024632 0.000000000000000 0.000000000000000 b 0.000000000000000 10.557372250000000 0.000000000000000 c -1.732529945150245 0.000000000000000 6.579461607587169 Atomic positions (fractional): 1 Li 0.55222384738620 0.72783435312941 0.12196808023322 6.941 2 Li 0.44777615261380 0.22783435312941 0.37803191976678 6.941 3 Li 0.55222384738620 0.77216564687059 0.62196808023322 6.941 4 Li 0.44777615261380 0.27216564687059 0.87803191976678 6.941 5 U 0.89979684904639 0.06546387496836 0.72920843298118 238.029 6 U 0.10020315095361 0.93453612503164 0.27079156701882 238.029 7 U 0.89979684904639 0.43453612503164 0.22920843298119 238.029 8 U 0.10020315095361 0.56546387496836 0.77079156701882 238.029 9 B 0.21515583982629 0.64871405748590 0.29717933862164 10.811 10 B 0.78484416017372 0.35128594251410 0.70282066137836 10.811 11 B 0.78484416017372 0.14871405748590 0.20282066137836 10.811 12 B 0.21515583982629 0.85128594251410 0.79717933862164 10.811 13 O 0.86326039125176 0.09014957756230 0.38968831383332 15.999 14 O 0.84863841437042 0.82278261913446 0.21381762675200 15.999 15 O 0.34810562676074 0.74164226803338 0.82669147358598 15.999 16 O 0.14871773065274 0.91444067919052 0.95171212303944 15.999 17 O 0.13673960874824 0.59014957756230 0.11031168616668 15.999 18 O 0.65189437323926 0.25835773196662 0.17330852641402 15.999 19 O 0.34298268273452 0.05058736173365 0.31929881200026 15.999 20 O 0.14871773065274 0.58555932080948 0.45171212303944 15.999 21 O 0.85128226934726 0.08555932080948 0.04828787696056 15.999 22 O 0.13673960874824 0.90985042243770 0.61031168616668 15.999 23 O 0.86326039125176 0.40985042243770 0.88968831383332 15.999 24 O 0.84863841437042 0.67721738086554 0.71381762675200 15.999 25 O 0.85128226934726 0.41444067919052 0.54828787696056 15.999 26 O 0.65189437323926 0.24164226803338 0.67330852641402 15.999 27 O 0.34810562676074 0.75835773196662 0.32669147358598 15.999 28 O 0.15136158562958 0.32278261913446 0.28618237324800 15.999 29 O 0.65701731726548 0.55058736173365 0.18070118799974 15.999 30 O 0.34298268273452 0.44941263826635 0.81929881200026 15.999 31 O 0.65701731726548 0.94941263826635 0.68070118799974 15.999 32 O 0.15136158562958 0.17721738086554 0.78618237324800 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.540067460049263 0.000000000000000 0.000000000000000 b 0.000000000000000 10.557372250000000 0.000000000000000 c -3.465059890300490 0.000000000000000 13.158923215174338 Atomic positions (fractional): 1 Li 0.27611192369310 0.72783435312941 0.06098404011661 6.941 > 1 2 Li 0.77611192369310 0.72783435312941 0.06098404011661 6.941 > 1 3 Li 0.27611192369310 0.72783435312941 0.56098404011661 6.941 > 1 4 Li 0.77611192369310 0.72783435312941 0.56098404011661 6.941 > 1 5 Li 0.22388807630690 0.22783435312941 0.18901595988339 6.941 > 5 6 Li 0.72388807630690 0.22783435312941 0.18901595988339 6.941 > 5 7 Li 0.22388807630690 0.22783435312941 0.68901595988339 6.941 > 5 8 Li 0.72388807630690 0.22783435312941 0.68901595988339 6.941 > 5 9 Li 0.27611192369310 0.77216564687059 0.31098404011661 6.941 > 9 10 Li 0.77611192369310 0.77216564687059 0.31098404011661 6.941 > 9 11 Li 0.27611192369310 0.77216564687059 0.81098404011661 6.941 > 9 12 Li 0.77611192369310 0.77216564687059 0.81098404011661 6.941 > 9 13 Li 0.22388807630690 0.27216564687059 0.43901595988339 6.941 > 13 14 Li 0.72388807630690 0.27216564687059 0.43901595988339 6.941 > 13 15 Li 0.22388807630690 0.27216564687059 0.93901595988339 6.941 > 13 16 Li 0.72388807630690 0.27216564687059 0.93901595988339 6.941 > 13 17 U 0.44989842452319 0.06546387496836 0.36460421649059 238.029 > 17 18 U 0.94989842452319 0.06546387496836 0.36460421649059 238.029 > 17 19 U 0.44989842452319 0.06546387496836 0.86460421649059 238.029 > 17 20 U 0.94989842452319 0.06546387496836 0.86460421649059 238.029 > 17 21 U 0.05010157547681 0.93453612503164 0.13539578350941 238.029 > 21 22 U 0.55010157547681 0.93453612503164 0.13539578350941 238.029 > 21 23 U 0.05010157547681 0.93453612503164 0.63539578350941 238.029 > 21 24 U 0.55010157547681 0.93453612503164 0.63539578350941 238.029 > 21 25 U 0.44989842452319 0.43453612503164 0.11460421649059 238.029 > 25 26 U 0.94989842452319 0.43453612503164 0.11460421649059 238.029 > 25 27 U 0.44989842452319 0.43453612503164 0.61460421649059 238.029 > 25 28 U 0.94989842452319 0.43453612503164 0.61460421649059 238.029 > 25 29 U 0.05010157547681 0.56546387496836 0.38539578350941 238.029 > 29 30 U 0.55010157547681 0.56546387496836 0.38539578350941 238.029 > 29 31 U 0.05010157547681 0.56546387496836 0.88539578350941 238.029 > 29 32 U 0.55010157547681 0.56546387496836 0.88539578350941 238.029 > 29 33 B 0.10757791991314 0.64871405748590 0.14858966931082 10.811 > 33 34 B 0.60757791991314 0.64871405748590 0.14858966931082 10.811 > 33 35 B 0.10757791991314 0.64871405748590 0.64858966931082 10.811 > 33 36 B 0.60757791991314 0.64871405748590 0.64858966931082 10.811 > 33 37 B 0.39242208008686 0.35128594251410 0.35141033068918 10.811 > 37 38 B 0.89242208008686 0.35128594251410 0.35141033068918 10.811 > 37 39 B 0.39242208008686 0.35128594251410 0.85141033068918 10.811 > 37 40 B 0.89242208008686 0.35128594251410 0.85141033068918 10.811 > 37 41 B 0.39242208008686 0.14871405748590 0.10141033068918 10.811 > 41 42 B 0.89242208008686 0.14871405748590 0.10141033068918 10.811 > 41 43 B 0.39242208008686 0.14871405748590 0.60141033068918 10.811 > 41 44 B 0.89242208008686 0.14871405748590 0.60141033068918 10.811 > 41 45 B 0.10757791991314 0.85128594251410 0.39858966931082 10.811 > 45 46 B 0.60757791991314 0.85128594251410 0.39858966931082 10.811 > 45 47 B 0.10757791991314 0.85128594251410 0.89858966931082 10.811 > 45 48 B 0.60757791991314 0.85128594251410 0.89858966931082 10.811 > 45 49 O 0.43163019562588 0.09014957756230 0.19484415691666 15.999 > 49 50 O 0.93163019562588 0.09014957756230 0.19484415691666 15.999 > 49 51 O 0.43163019562588 0.09014957756230 0.69484415691666 15.999 > 49 52 O 0.93163019562588 0.09014957756230 0.69484415691666 15.999 > 49 53 O 0.42431920718521 0.82278261913446 0.10690881337600 15.999 > 53 54 O 0.92431920718521 0.82278261913446 0.10690881337600 15.999 > 53 55 O 0.42431920718521 0.82278261913446 0.60690881337600 15.999 > 53 56 O 0.92431920718521 0.82278261913446 0.60690881337600 15.999 > 53 57 O 0.17405281338037 0.74164226803338 0.41334573679299 15.999 > 57 58 O 0.67405281338037 0.74164226803338 0.41334573679299 15.999 > 57 59 O 0.17405281338037 0.74164226803338 0.91334573679299 15.999 > 57 60 O 0.67405281338037 0.74164226803338 0.91334573679299 15.999 > 57 61 O 0.07435886532637 0.91444067919052 0.47585606151972 15.999 > 61 62 O 0.57435886532637 0.91444067919052 0.47585606151972 15.999 > 61 63 O 0.07435886532637 0.91444067919052 0.97585606151972 15.999 > 61 64 O 0.57435886532637 0.91444067919052 0.97585606151972 15.999 > 61 65 O 0.06836980437412 0.59014957756230 0.05515584308334 15.999 > 65 66 O 0.56836980437412 0.59014957756230 0.05515584308334 15.999 > 65 67 O 0.06836980437412 0.59014957756230 0.55515584308334 15.999 > 65 68 O 0.56836980437412 0.59014957756230 0.55515584308334 15.999 > 65 69 O 0.32594718661963 0.25835773196662 0.08665426320701 15.999 > 69 70 O 0.82594718661963 0.25835773196662 0.08665426320701 15.999 > 69 71 O 0.32594718661963 0.25835773196662 0.58665426320701 15.999 > 69 72 O 0.82594718661963 0.25835773196662 0.58665426320701 15.999 > 69 73 O 0.17149134136726 0.05058736173365 0.15964940600013 15.999 > 73 74 O 0.67149134136726 0.05058736173365 0.15964940600013 15.999 > 73 75 O 0.17149134136726 0.05058736173365 0.65964940600013 15.999 > 73 76 O 0.67149134136726 0.05058736173365 0.65964940600013 15.999 > 73 77 O 0.07435886532637 0.58555932080948 0.22585606151972 15.999 > 77 78 O 0.57435886532637 0.58555932080948 0.22585606151972 15.999 > 77 79 O 0.07435886532637 0.58555932080948 0.72585606151972 15.999 > 77 80 O 0.57435886532637 0.58555932080948 0.72585606151972 15.999 > 77 81 O 0.42564113467363 0.08555932080948 0.02414393848028 15.999 > 81 82 O 0.92564113467363 0.08555932080948 0.02414393848028 15.999 > 81 83 O 0.42564113467363 0.08555932080948 0.52414393848028 15.999 > 81 84 O 0.92564113467363 0.08555932080948 0.52414393848028 15.999 > 81 85 O 0.06836980437412 0.90985042243770 0.30515584308334 15.999 > 85 86 O 0.56836980437412 0.90985042243770 0.30515584308334 15.999 > 85 87 O 0.06836980437412 0.90985042243770 0.80515584308334 15.999 > 85 88 O 0.56836980437412 0.90985042243770 0.80515584308334 15.999 > 85 89 O 0.43163019562588 0.40985042243770 0.44484415691666 15.999 > 89 90 O 0.93163019562588 0.40985042243770 0.44484415691666 15.999 > 89 91 O 0.43163019562588 0.40985042243770 0.94484415691666 15.999 > 89 92 O 0.93163019562588 0.40985042243770 0.94484415691666 15.999 > 89 93 O 0.42431920718521 0.67721738086554 0.35690881337600 15.999 > 93 94 O 0.92431920718521 0.67721738086554 0.35690881337600 15.999 > 93 95 O 0.42431920718521 0.67721738086554 0.85690881337600 15.999 > 93 96 O 0.92431920718521 0.67721738086554 0.85690881337600 15.999 > 93 97 O 0.42564113467363 0.41444067919052 0.27414393848028 15.999 > 97 98 O 0.92564113467363 0.41444067919052 0.27414393848028 15.999 > 97 99 O 0.42564113467363 0.41444067919052 0.77414393848028 15.999 > 97 100 O 0.92564113467363 0.41444067919052 0.77414393848028 15.999 > 97 101 O 0.32594718661963 0.24164226803338 0.33665426320701 15.999 > 101 102 O 0.82594718661963 0.24164226803338 0.33665426320701 15.999 > 101 103 O 0.32594718661963 0.24164226803338 0.83665426320701 15.999 > 101 104 O 0.82594718661963 0.24164226803338 0.83665426320701 15.999 > 101 105 O 0.17405281338037 0.75835773196662 0.16334573679299 15.999 > 105 106 O 0.67405281338037 0.75835773196662 0.16334573679299 15.999 > 105 107 O 0.17405281338037 0.75835773196662 0.66334573679299 15.999 > 105 108 O 0.67405281338037 0.75835773196662 0.66334573679299 15.999 > 105 109 O 0.07568079281479 0.32278261913446 0.14309118662400 15.999 > 109 110 O 0.57568079281479 0.32278261913446 0.14309118662400 15.999 > 109 111 O 0.07568079281479 0.32278261913446 0.64309118662400 15.999 > 109 112 O 0.57568079281479 0.32278261913446 0.64309118662400 15.999 > 109 113 O 0.32850865863274 0.55058736173365 0.09035059399987 15.999 > 113 114 O 0.82850865863274 0.55058736173365 0.09035059399987 15.999 > 113 115 O 0.32850865863274 0.55058736173365 0.59035059399987 15.999 > 113 116 O 0.82850865863274 0.55058736173365 0.59035059399987 15.999 > 113 117 O 0.17149134136726 0.44941263826635 0.40964940600013 15.999 > 117 118 O 0.67149134136726 0.44941263826635 0.40964940600013 15.999 > 117 119 O 0.17149134136726 0.44941263826635 0.90964940600013 15.999 > 117 120 O 0.67149134136726 0.44941263826635 0.90964940600013 15.999 > 117 121 O 0.32850865863274 0.94941263826635 0.34035059399987 15.999 > 121 122 O 0.82850865863274 0.94941263826635 0.34035059399987 15.999 > 121 123 O 0.32850865863274 0.94941263826635 0.84035059399987 15.999 > 121 124 O 0.82850865863274 0.94941263826635 0.84035059399987 15.999 > 121 125 O 0.07568079281479 0.17721738086554 0.39309118662400 15.999 > 125 126 O 0.57568079281479 0.17721738086554 0.39309118662400 15.999 > 125 127 O 0.07568079281479 0.17721738086554 0.89309118662400 15.999 > 125 128 O 0.57568079281479 0.17721738086554 0.89309118662400 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1756222 0.0000000 -0.3390287 0.0000000 3.8225682 0.0000000 -0.3390147 0.0000000 4.4016098 -------------------------- Born effective charges -------------------------- 1 Li 1.5137783 -0.1242044 0.1745597 0.0721350 1.2571674 0.1217250 0.1462320 -0.0281229 1.0395154 2 Li 1.5137783 0.1242044 0.1745597 -0.0721350 1.2571674 -0.1217250 0.1462320 0.0281229 1.0395154 3 Li 1.5137783 0.1242044 0.1745597 -0.0721350 1.2571674 -0.1217250 0.1462320 0.0281229 1.0395154 4 Li 1.5137783 -0.1242044 0.1745597 0.0721350 1.2571674 0.1217250 0.1462320 -0.0281229 1.0395154 5 U 4.3575517 0.3484087 -0.5894867 0.0528505 5.3932076 0.0498152 -0.6525234 0.0847270 6.7351513 6 U 4.3575517 0.3484087 -0.5894867 0.0528505 5.3932076 0.0498152 -0.6525234 0.0847270 6.7351513 7 U 4.3575517 -0.3484087 -0.5894867 -0.0528505 5.3932076 -0.0498152 -0.6525234 -0.0847270 6.7351513 8 U 4.3575517 -0.3484087 -0.5894867 -0.0528505 5.3932076 -0.0498152 -0.6525234 -0.0847270 6.7351513 9 B 1.3246420 0.6464288 -0.5919555 1.2315438 3.3354152 0.3838253 -0.4547297 0.1390912 3.0928396 10 B 1.3246420 0.6464288 -0.5919555 1.2315438 3.3354152 0.3838253 -0.4547297 0.1390912 3.0928396 11 B 1.3246420 -0.6464288 -0.5919555 -1.2315438 3.3354152 -0.3838253 -0.4547297 -0.1390912 3.0928396 12 B 1.3246420 -0.6464288 -0.5919555 -1.2315438 3.3354152 -0.3838253 -0.4547297 -0.1390912 3.0928396 13 O -1.1728818 0.5331737 0.8381717 0.7264331 -1.7330317 0.4883959 0.7477093 0.2520873 -3.9239400 14 O -1.5871575 -0.7157652 -0.2528460 -1.0067021 -1.7239232 -0.3082391 -0.2527593 -0.2161277 -0.8203091 15 O -1.5543067 -0.0889815 -0.0595137 -0.1538771 -3.1590460 0.0174469 -0.0724789 0.0133833 -1.3306942 16 O -1.0384095 0.5772319 0.8064089 0.9187147 -1.7057028 -0.0382852 0.8356894 0.0253886 -3.9466931 17 O -1.1728818 -0.5331737 0.8381717 -0.7264331 -1.7330317 -0.4883959 0.7477093 -0.2520873 -3.9239400 18 O -1.5543067 -0.0889815 -0.0595137 -0.1538771 -3.1590460 0.0174469 -0.0724789 0.0133833 -1.3306942 19 O -1.8432167 -1.0708410 -0.3253384 -0.9732231 -1.6640865 -0.2639841 -0.2971393 -0.2845542 -0.8458701 20 O -1.0384095 -0.5772319 0.8064089 -0.9187147 -1.7057028 0.0382852 0.8356894 -0.0253886 -3.9466931 21 O -1.0384095 0.5772319 0.8064089 0.9187147 -1.7057028 -0.0382852 0.8356894 0.0253886 -3.9466931 22 O -1.1728818 0.5331737 0.8381717 0.7264331 -1.7330317 0.4883959 0.7477093 0.2520873 -3.9239400 23 O -1.1728818 -0.5331737 0.8381717 -0.7264331 -1.7330317 -0.4883959 0.7477093 -0.2520873 -3.9239400 24 O -1.5871575 0.7157652 -0.2528460 1.0067021 -1.7239232 0.3082391 -0.2527593 0.2161277 -0.8203091 25 O -1.0384095 -0.5772319 0.8064089 -0.9187147 -1.7057028 0.0382852 0.8356894 -0.0253886 -3.9466931 26 O -1.5543067 0.0889815 -0.0595137 0.1538771 -3.1590460 -0.0174469 -0.0724789 -0.0133833 -1.3306942 27 O -1.5543067 0.0889815 -0.0595137 0.1538771 -3.1590460 -0.0174469 -0.0724789 -0.0133833 -1.3306942 28 O -1.5871575 0.7157652 -0.2528460 1.0067021 -1.7239232 0.3082391 -0.2527593 0.2161277 -0.8203091 29 O -1.8432167 1.0708410 -0.3253384 0.9732231 -1.6640865 0.2639841 -0.2971393 0.2845542 -0.8458701 30 O -1.8432167 1.0708410 -0.3253384 0.9732231 -1.6640865 0.2639841 -0.2971393 0.2845542 -0.8458701 31 O -1.8432167 -1.0708410 -0.3253384 -0.9732231 -1.6640865 -0.2639841 -0.2971393 -0.2845542 -0.8458701 32 O -1.5871575 -0.7157652 -0.2528460 -1.0067021 -1.7239232 -0.3082391 -0.2527593 -0.2161277 -0.8203091 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/111) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 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 1.761 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.659 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.898 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.456 ( 0.000 0.000 0.000) 0.000 16.384 ( 0.000 0.000 0.000) 0.000 16.880 ( 0.000 0.000 0.000) 0.000 17.147 ( 0.000 0.000 0.000) 0.000 17.192 ( 0.000 0.000 0.000) 0.000 17.526 ( 0.000 0.000 0.000) 0.000 17.710 ( 0.000 0.000 0.000) 0.000 17.911 ( 0.000 0.000 0.000) 0.000 18.157 ( 0.000 0.000 0.000) 0.000 19.234 ( 0.000 0.000 0.000) 0.000 19.250 ( 0.000 0.000 0.000) 0.000 19.425 ( 0.000 0.000 0.000) 0.000 19.864 ( 0.000 0.000 0.000) 0.000 23.931 ( 0.000 0.000 0.000) 0.000 24.093 ( 0.000 0.000 0.000) 0.000 24.332 ( 0.000 0.000 0.000) 0.000 24.627 ( 0.000 0.000 0.000) 0.000 26.040 ( 0.000 0.000 0.000) 0.000 26.200 ( 0.000 0.000 0.000) 0.000 26.846 ( 0.000 0.000 0.000) 0.000 27.406 ( 0.000 0.000 0.000) 0.000 28.480 ( 0.000 0.000 0.000) 0.000 28.563 ( 0.000 0.000 0.000) 0.000 28.603 ( 0.000 0.000 0.000) 0.000 28.710 ( 0.000 0.000 0.000) 0.000 34.778 ( 0.000 0.000 0.000) 0.000 34.974 ( 0.000 0.000 0.000) 0.000 35.518 ( 0.000 0.000 0.000) 0.000 35.733 ( 0.000 0.000 0.000) 0.000 38.572 ( 0.000 0.000 0.000) 0.000 38.606 ( 0.000 0.000 0.000) 0.000 38.880 ( 0.000 0.000 0.000) 0.000 41.495 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/111) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 10.093 0.000 15.249) 18.287 0.496 ( 22.703 0.000 7.248) 23.832 0.639 ( 30.426 0.000 10.307) 32.124 1.747 ( -2.223 0.000 3.176) 3.877 1.898 ( -1.652 0.000 -0.048) 1.653 2.267 ( 3.504 0.000 -5.747) 6.730 2.418 ( 1.435 0.000 -3.674) 3.944 2.673 ( 2.128 0.000 5.849) 6.224 2.830 ( -4.304 0.000 -2.437) 4.947 3.045 ( 2.474 0.000 4.148) 4.830 3.183 ( 1.694 0.000 3.353) 3.757 3.260 ( 3.503 0.000 -0.182) 3.508 3.330 ( 1.860 0.000 1.580) 2.440 3.728 ( 0.063 0.000 0.353) 0.359 3.928 ( 0.534 0.000 0.337) 0.631 4.244 ( 3.253 0.000 -0.835) 3.358 4.851 ( -3.436 0.000 -0.715) 3.510 4.915 ( -0.211 0.000 8.892) 8.894 5.099 ( 1.013 0.000 -9.498) 9.552 5.296 ( 2.777 0.000 -0.117) 2.779 5.619 ( 0.818 0.000 1.100) 1.371 6.008 ( -5.493 0.000 -1.465) 5.685 6.259 ( 4.501 0.000 4.610) 6.443 6.475 ( -3.599 0.000 -2.524) 4.396 6.495 ( -2.058 0.000 -1.213) 2.389 6.565 ( 1.740 0.000 -4.534) 4.856 6.648 ( 1.632 0.000 -2.221) 2.756 6.758 ( 0.555 0.000 -9.731) 9.747 6.770 ( 1.391 0.000 0.991) 1.708 6.839 ( -1.456 0.000 2.651) 3.025 7.035 ( -0.869 0.000 3.492) 3.598 7.147 ( -3.648 0.000 4.185) 5.552 7.331 ( -5.289 0.000 -4.692) 7.070 7.382 ( 3.226 0.000 4.039) 5.169 7.450 ( -3.096 0.000 -5.175) 6.030 7.579 ( 0.386 0.000 6.928) 6.939 7.748 ( 4.011 0.000 -1.643) 4.335 7.815 ( -0.633 0.000 -10.325) 10.344 7.835 ( -2.332 0.000 -8.024) 8.356 7.909 ( 0.671 0.000 2.967) 3.042 8.136 ( 5.644 0.000 5.940) 8.194 8.165 ( 0.643 0.000 -2.406) 2.490 8.450 ( -6.136 0.000 2.412) 6.593 8.590 ( 2.779 0.000 0.446) 2.815 8.832 ( 1.375 0.000 2.004) 2.430 8.940 ( -1.217 0.000 4.856) 5.006 8.984 ( 2.763 0.000 -3.199) 4.227 9.145 ( -1.710 0.000 1.903) 2.558 9.372 ( -0.647 0.000 -6.275) 6.308 9.459 ( 0.246 0.000 -10.559) 10.562 9.665 ( 0.418 0.000 0.281) 0.504 9.889 ( -1.626 0.000 -2.803) 3.240 9.968 ( 0.437 0.000 0.163) 0.467 10.143 ( 5.215 0.000 0.614) 5.251 10.407 ( 0.824 0.000 -0.317) 0.883 10.522 ( 1.544 0.000 1.627) 2.243 10.911 ( 0.938 0.000 1.051) 1.409 11.291 ( -3.329 0.000 11.849) 12.308 11.296 ( -2.018 0.000 0.614) 2.109 11.771 ( -2.411 0.000 -1.366) 2.771 11.959 ( 0.284 0.000 1.101) 1.137 12.219 ( 1.610 0.000 0.505) 1.687 12.398 ( -4.781 0.000 -2.624) 5.454 14.178 ( -8.259 0.000 3.635) 9.024 16.385 ( 0.000 0.000 -0.363) 0.363 16.876 ( -0.196 0.000 -0.722) 0.748 17.154 ( 0.003 0.000 2.186) 2.186 17.197 ( 0.686 0.000 -0.666) 0.956 17.529 ( 0.339 0.000 -0.072) 0.347 17.685 ( -3.016 0.000 3.264) 4.444 17.921 ( 1.691 0.000 -3.858) 4.212 18.335 ( 2.967 0.000 -0.276) 2.980 19.216 ( -1.594 0.000 -0.268) 1.617 19.370 ( -4.531 0.000 -1.244) 4.699 19.530 ( 2.334 0.000 -1.627) 2.845 19.902 ( 3.458 0.000 -0.962) 3.590 23.904 ( -2.593 0.000 0.836) 2.724 24.089 ( -0.480 0.000 0.875) 0.998 24.339 ( 0.244 0.000 1.064) 1.092 24.745 ( 10.804 0.000 2.610) 11.115 26.079 ( 3.730 0.000 0.904) 3.838 26.196 ( -0.004 0.000 -1.476) 1.476 26.836 ( -0.831 0.000 -1.060) 1.347 28.479 ( -0.068 0.000 -0.334) 0.341 28.555 ( -2.260 0.000 -0.679) 2.360 28.561 ( -0.240 0.000 -0.016) 0.241 28.605 ( 0.046 0.000 0.422) 0.425 28.980 ( -5.899 0.000 -5.368) 7.976 34.779 ( -0.928 0.000 3.878) 3.987 34.976 ( 0.183 0.000 0.107) 0.212 35.515 ( -0.290 0.000 0.212) 0.359 35.730 ( -0.221 0.000 -0.426) 0.480 38.574 ( 0.088 0.000 0.252) 0.267 38.883 ( 0.011 0.000 0.916) 0.916 38.968 ( -0.387 0.000 -3.138) 3.162 41.399 ( -8.876 0.000 -2.389) 9.192 ======================= Grid point 2 (3/111) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 9.798 0.000 12.794) 16.114 0.926 ( 18.093 0.000 4.966) 18.762 1.264 ( 28.701 0.000 9.350) 30.186 1.712 ( -3.630 0.000 5.639) 6.707 1.851 ( -2.988 0.000 0.172) 2.993 2.334 ( 6.352 0.000 -5.985) 8.727 2.437 ( 2.897 0.000 -5.095) 5.861 2.739 ( -3.132 0.000 -3.034) 4.361 2.785 ( 5.293 0.000 9.344) 10.739 3.089 ( 0.036 0.000 0.063) 0.073 3.218 ( -0.841 0.000 6.586) 6.640 3.332 ( 3.659 0.000 -1.622) 4.003 3.408 ( 4.628 0.000 4.429) 6.406 3.715 ( -1.124 0.000 -0.754) 1.353 3.956 ( 1.533 0.000 2.182) 2.667 4.319 ( 4.596 0.000 -1.033) 4.710 4.759 ( -5.112 0.000 -1.430) 5.309 4.940 ( -4.640 0.000 13.344) 14.128 5.105 ( 7.559 0.000 -14.095) 15.994 5.374 ( 5.227 0.000 0.470) 5.248 5.650 ( 1.328 0.000 1.882) 2.304 5.913 ( -2.559 0.000 -4.820) 5.457 6.346 ( 3.243 0.000 -5.490) 6.377 6.377 ( -4.370 0.000 -0.080) 4.371 6.416 ( -3.889 0.000 -4.642) 6.056 6.598 ( 3.553 0.000 -4.857) 6.018 6.649 ( -1.640 0.000 1.827) 2.455 6.705 ( 0.507 0.000 -12.939) 12.949 6.799 ( 0.103 0.000 3.439) 3.440 6.846 ( 0.566 0.000 5.383) 5.412 7.029 ( -2.796 0.000 4.289) 5.120 7.112 ( -2.287 0.000 5.868) 6.298 7.210 ( -3.406 0.000 -8.790) 9.427 7.344 ( -2.682 0.000 -3.065) 4.073 7.489 ( 3.851 0.000 1.623) 4.179 7.555 ( -4.825 0.000 -0.055) 4.825 7.732 ( -2.438 0.000 1.585) 2.908 7.775 ( 0.075 0.000 -2.557) 2.558 7.815 ( 1.239 0.000 -6.256) 6.377 7.982 ( 3.937 0.000 3.928) 5.561 8.117 ( -3.261 0.000 -6.579) 7.343 8.260 ( 4.194 0.000 5.247) 6.717 8.377 ( -2.902 0.000 7.299) 7.855 8.660 ( 3.882 0.000 0.255) 3.890 8.857 ( -0.301 0.000 2.724) 2.741 8.946 ( -1.481 0.000 7.244) 7.394 9.022 ( 1.884 0.000 -0.781) 2.040 9.118 ( -2.080 0.000 2.588) 3.321 9.316 ( 0.463 0.000 -13.671) 13.679 9.401 ( -2.955 0.000 -0.656) 3.027 9.676 ( 0.557 0.000 0.357) 0.662 9.838 ( -1.979 0.000 -3.151) 3.721 9.983 ( 0.985 0.000 0.548) 1.127 10.274 ( 7.669 0.000 0.268) 7.674 10.417 ( 0.329 0.000 -1.196) 1.241 10.566 ( 1.816 0.000 2.297) 2.928 10.942 ( 1.450 0.000 1.884) 2.378 11.250 ( -2.961 0.000 0.558) 3.014 11.286 ( -1.776 0.000 5.632) 5.905 11.681 ( -6.071 0.000 -2.558) 6.588 11.971 ( 0.281 0.000 1.177) 1.210 12.269 ( 3.277 0.000 1.004) 3.428 12.277 ( -5.345 0.000 -3.035) 6.147 13.985 ( -11.951 0.000 -0.600) 11.966 16.382 ( -0.187 0.000 -0.089) 0.207 16.868 ( -0.043 0.000 -1.113) 1.114 17.163 ( -0.574 0.000 2.896) 2.952 17.211 ( 1.081 0.000 -0.781) 1.334 17.539 ( 0.677 0.000 -0.053) 0.679 17.651 ( -2.061 0.000 4.533) 4.980 17.924 ( 0.842 0.000 -5.311) 5.377 18.402 ( 3.763 0.000 -0.150) 3.766 19.178 ( -1.996 0.000 -0.209) 2.006 19.267 ( -4.860 0.000 -1.715) 5.154 19.574 ( 2.526 0.000 -0.622) 2.602 19.958 ( 2.633 0.000 -1.635) 3.099 23.859 ( -2.456 0.000 1.325) 2.790 24.092 ( 0.509 0.000 1.008) 1.129 24.342 ( -1.009 0.000 2.105) 2.335 25.030 ( 15.873 0.000 4.273) 16.438 26.184 ( 6.174 0.000 1.661) 6.393 26.190 ( 0.657 0.000 -2.337) 2.427 26.804 ( -1.610 0.000 -2.084) 2.633 28.455 ( -8.261 0.000 -2.935) 8.767 28.475 ( -0.047 0.000 -0.510) 0.513 28.555 ( -0.327 0.000 0.001) 0.327 28.609 ( 0.163 0.000 0.273) 0.318 28.820 ( -6.911 0.000 -2.243) 7.266 34.781 ( 0.067 0.000 0.324) 0.331 34.981 ( 0.271 0.000 0.180) 0.325 35.510 ( -0.401 0.000 0.375) 0.549 35.722 ( -0.279 0.000 -0.636) 0.695 38.576 ( -0.033 0.000 0.360) 0.361 38.889 ( -0.023 0.000 1.421) 1.421 38.940 ( -1.550 0.000 -0.191) 1.562 41.163 ( -12.904 0.000 -3.514) 13.374 ======================= Grid point 3 (4/111) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 7.625 0.000 8.713) 11.578 1.219 ( 9.966 0.000 2.005) 10.166 1.667 ( -3.569 0.000 5.308) 6.396 1.806 ( -1.486 0.000 1.038) 1.813 1.808 ( 22.590 0.000 7.130) 23.689 2.428 ( 5.042 0.000 -3.331) 6.043 2.476 ( 3.165 0.000 -3.681) 4.855 2.688 ( -0.833 0.000 -2.277) 2.425 2.958 ( 7.302 0.000 9.447) 11.940 3.047 ( -3.314 0.000 -0.771) 3.403 3.228 ( -0.102 0.000 1.336) 1.340 3.357 ( 0.042 0.000 -4.084) 4.084 3.529 ( 4.064 0.000 7.516) 8.545 3.696 ( -0.245 0.000 -0.467) 0.528 3.994 ( 0.748 0.000 2.665) 2.768 4.392 ( 2.931 0.000 -0.473) 2.969 4.658 ( -4.080 0.000 -1.889) 4.496 4.887 ( -3.860 0.000 2.910) 4.834 5.230 ( 8.675 0.000 -4.137) 9.611 5.491 ( 5.699 0.000 1.612) 5.923 5.680 ( 1.000 0.000 1.556) 1.850 5.864 ( -0.155 0.000 -4.235) 4.238 6.242 ( -5.151 0.000 -5.279) 7.376 6.314 ( -3.985 0.000 -4.724) 6.180 6.404 ( 2.452 0.000 -2.568) 3.551 6.604 ( -4.213 0.000 3.413) 5.422 6.639 ( 2.922 0.000 -4.281) 5.183 6.668 ( 2.396 0.000 -11.604) 11.849 6.828 ( 0.723 0.000 6.051) 6.094 6.897 ( 1.301 0.000 5.588) 5.738 6.969 ( -5.259 0.000 5.477) 7.593 7.098 ( -1.942 0.000 2.726) 3.348 7.114 ( -1.276 0.000 -12.078) 12.145 7.319 ( 1.667 0.000 -2.358) 2.887 7.445 ( -5.350 0.000 0.007) 5.350 7.564 ( 3.359 0.000 0.165) 3.363 7.709 ( -1.516 0.000 1.974) 2.489 7.726 ( -4.819 0.000 0.188) 4.823 7.810 ( 0.599 0.000 -2.866) 2.928 7.973 ( -4.542 0.000 0.912) 4.632 8.112 ( 5.067 0.000 -4.506) 6.781 8.349 ( 2.616 0.000 3.769) 4.587 8.399 ( 0.633 0.000 7.349) 7.376 8.732 ( 3.625 0.000 -0.611) 3.676 8.844 ( -2.278 0.000 2.280) 3.223 8.951 ( -2.450 0.000 9.205) 9.526 9.033 ( -0.159 0.000 -2.267) 2.272 9.098 ( -0.998 0.000 1.900) 2.146 9.271 ( 3.796 0.000 -18.385) 18.773 9.347 ( -4.276 0.000 7.116) 8.302 9.687 ( 0.408 0.000 0.158) 0.438 9.787 ( -1.700 0.000 -2.139) 2.732 10.009 ( 1.198 0.000 0.819) 1.451 10.405 ( -0.622 0.000 -1.749) 1.856 10.423 ( 7.011 0.000 0.289) 7.017 10.611 ( 1.844 0.000 2.214) 2.881 10.981 ( 1.451 0.000 1.906) 2.395 11.192 ( -3.015 0.000 -0.813) 3.122 11.280 ( -1.045 0.000 3.112) 3.283 11.525 ( -7.793 0.000 -2.361) 8.142 11.980 ( 0.235 0.000 0.624) 0.667 12.184 ( -2.979 0.000 -1.640) 3.400 12.352 ( 4.390 0.000 1.313) 4.582 13.741 ( -11.783 0.000 -1.893) 11.934 16.377 ( -0.246 0.000 0.008) 0.246 16.865 ( 0.185 0.000 -0.985) 1.002 17.158 ( -0.996 0.000 1.249) 1.597 17.228 ( 0.761 0.000 0.479) 0.899 17.553 ( 0.677 0.000 -0.009) 0.677 17.659 ( 0.390 0.000 4.711) 4.727 17.899 ( -0.548 0.000 -5.337) 5.365 18.466 ( 2.758 0.000 -0.346) 2.780 19.143 ( -1.506 0.000 -0.022) 1.507 19.178 ( -3.364 0.000 -1.393) 3.641 19.615 ( 1.831 0.000 -0.294) 1.855 19.983 ( 0.881 0.000 -1.531) 1.767 23.827 ( -1.477 0.000 1.198) 1.902 24.122 ( 2.190 0.000 0.302) 2.210 24.317 ( -2.771 0.000 2.577) 3.785 25.353 ( 13.960 0.000 4.218) 14.583 26.208 ( 2.578 0.000 -2.003) 3.265 26.319 ( 6.409 0.000 2.095) 6.743 26.754 ( -2.292 0.000 -2.651) 3.505 28.209 ( -13.853 0.000 -3.745) 14.350 28.472 ( 0.014 0.000 -0.442) 0.443 28.549 ( -0.245 0.000 0.024) 0.246 28.614 ( 0.229 0.000 0.121) 0.259 28.726 ( -2.449 0.000 -0.634) 2.529 34.784 ( 0.277 0.000 -0.548) 0.614 34.987 ( 0.229 0.000 0.175) 0.288 35.505 ( -0.295 0.000 0.382) 0.482 35.714 ( -0.184 0.000 -0.544) 0.574 38.575 ( -0.211 0.000 0.297) 0.365 38.895 ( -0.064 0.000 1.276) 1.277 38.912 ( -1.293 0.000 0.530) 1.398 40.910 ( -10.704 0.000 -2.966) 11.107 ======================= Grid point 4 (5/111) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 2.944 0.000 3.129) 4.296 1.328 ( 1.699 0.000 0.330) 1.731 1.645 ( -0.699 0.000 1.897) 2.022 1.802 ( 0.105 0.000 0.946) 0.952 2.167 ( 10.520 0.000 3.080) 10.961 2.469 ( 0.301 0.000 -1.121) 1.160 2.508 ( 1.289 0.000 -1.249) 1.795 2.669 ( -0.509 0.000 -0.793) 0.942 2.993 ( -1.427 0.000 -0.252) 1.449 3.141 ( 6.608 0.000 7.230) 9.794 3.229 ( 0.127 0.000 -0.673) 0.685 3.294 ( -3.696 0.000 -5.373) 6.522 3.616 ( 1.497 0.000 3.750) 4.038 3.696 ( 0.182 0.000 -0.081) 0.200 4.008 ( -0.137 0.000 1.128) 1.136 4.421 ( 0.517 0.000 -0.087) 0.524 4.597 ( -1.320 0.000 -0.942) 1.621 4.846 ( -0.989 0.000 -0.101) 0.994 5.348 ( 3.809 0.000 -0.597) 3.855 5.573 ( 1.509 0.000 1.243) 1.955 5.715 ( 1.779 0.000 0.448) 1.834 5.858 ( 0.765 0.000 -1.663) 1.830 6.139 ( -2.819 0.000 -2.162) 3.553 6.228 ( -2.452 0.000 -2.123) 3.243 6.433 ( 1.840 0.000 -2.030) 2.739 6.538 ( -3.336 0.000 2.342) 4.076 6.665 ( 1.675 0.000 -2.727) 3.201 6.673 ( 1.712 0.000 -4.543) 4.855 6.878 ( 1.378 0.000 2.599) 2.942 6.907 ( -2.886 0.000 3.142) 4.266 6.949 ( 0.501 0.000 9.368) 9.382 7.030 ( -0.938 0.000 -12.623) 12.657 7.071 ( -1.376 0.000 0.914) 1.651 7.373 ( -2.024 0.000 0.436) 2.071 7.374 ( 4.079 0.000 -0.986) 4.197 7.570 ( -3.314 0.000 -3.797) 5.040 7.652 ( -1.280 0.000 4.494) 4.672 7.692 ( -0.815 0.000 0.806) 1.146 7.809 ( 0.199 0.000 -0.891) 0.913 7.925 ( -0.933 0.000 -0.163) 0.947 8.162 ( 1.650 0.000 -1.813) 2.451 8.396 ( 0.853 0.000 1.413) 1.651 8.453 ( 1.350 0.000 3.235) 3.505 8.787 ( 2.147 0.000 -0.892) 2.325 8.805 ( -1.833 0.000 0.727) 1.972 8.946 ( -2.247 0.000 7.198) 7.540 9.004 ( -0.328 0.000 -4.280) 4.293 9.096 ( -0.114 0.000 0.669) 0.678 9.274 ( 4.746 0.000 -14.818) 15.560 9.310 ( -4.269 0.000 10.920) 11.724 9.693 ( 0.138 0.000 -0.021) 0.139 9.756 ( -0.678 0.000 -0.662) 0.948 10.031 ( 0.532 0.000 0.443) 0.693 10.385 ( -0.474 0.000 -0.894) 1.012 10.516 ( 2.224 0.000 0.133) 2.228 10.665 ( 2.164 0.000 1.386) 2.570 11.010 ( 0.658 0.000 0.809) 1.043 11.130 ( -2.151 0.000 -1.554) 2.653 11.277 ( -0.359 0.000 1.053) 1.113 11.402 ( -3.408 0.000 -0.434) 3.435 11.986 ( 0.118 0.000 0.145) 0.187 12.143 ( -0.914 0.000 -0.431) 1.010 12.431 ( 2.496 0.000 0.730) 2.600 13.556 ( -5.389 0.000 -1.063) 5.493 16.374 ( -0.113 0.000 0.014) 0.114 16.864 ( 0.124 0.000 -0.390) 0.409 17.144 ( -0.530 0.000 0.205) 0.568 17.242 ( 0.287 0.000 0.470) 0.551 17.562 ( 0.278 0.000 0.003) 0.278 17.698 ( 0.969 0.000 2.788) 2.951 17.859 ( -0.827 0.000 -3.046) 3.157 18.500 ( 0.963 0.000 -0.205) 0.985 19.123 ( -0.548 0.000 0.031) 0.549 19.129 ( -1.192 0.000 -0.527) 1.303 19.638 ( 0.657 0.000 -0.090) 0.663 19.985 ( 0.087 0.000 -0.624) 0.630 23.813 ( -0.477 0.000 0.478) 0.675 24.173 ( 2.722 0.000 -0.608) 2.789 24.268 ( -2.989 0.000 1.781) 3.479 25.560 ( 5.166 0.000 1.729) 5.447 26.262 ( 2.651 0.000 -0.578) 2.714 26.430 ( 3.390 0.000 1.387) 3.663 26.698 ( -1.742 0.000 -1.654) 2.402 27.969 ( -7.318 0.000 -1.772) 7.529 28.471 ( 0.019 0.000 -0.172) 0.173 28.546 ( -0.085 0.000 0.015) 0.087 28.618 ( 0.113 0.000 0.034) 0.118 28.698 ( -0.558 0.000 -0.160) 0.581 34.786 ( 0.129 0.000 -0.301) 0.328 34.991 ( 0.088 0.000 0.073) 0.114 35.503 ( -0.099 0.000 0.165) 0.192 35.710 ( -0.057 0.000 -0.211) 0.218 38.573 ( -0.132 0.000 0.114) 0.175 38.897 ( -0.466 0.000 0.280) 0.544 38.899 ( -0.038 0.000 0.513) 0.514 40.752 ( -4.071 0.000 -1.144) 4.229 ======================= Grid point 9 (6/111) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 25.046 0.000) 25.046 0.521 ( 0.000 26.837 0.000) 26.837 0.896 ( 0.000 45.032 0.000) 45.032 1.657 ( 0.000 -10.702 0.000) 10.702 1.755 ( 0.000 -14.017 0.000) 14.017 2.336 ( 0.000 6.910 0.000) 6.910 2.388 ( 0.000 -3.204 0.000) 3.204 2.647 ( 0.000 1.003 0.000) 1.003 2.938 ( 0.000 -9.756 0.000) 9.756 2.970 ( 0.000 7.149 0.000) 7.149 2.978 ( 0.000 -9.849 0.000) 9.849 3.272 ( 0.000 0.805 0.000) 0.805 3.368 ( 0.000 5.463 0.000) 5.463 3.687 ( 0.000 -3.523 0.000) 3.523 3.954 ( 0.000 2.959 0.000) 2.959 4.180 ( 0.000 -3.175 0.000) 3.175 4.833 ( 0.000 -0.871 0.000) 0.871 4.957 ( 0.000 5.479 0.000) 5.479 5.046 ( 0.000 -6.185 0.000) 6.185 5.270 ( 0.000 -1.429 0.000) 1.429 5.680 ( 0.000 7.579 0.000) 7.579 6.105 ( 0.000 0.206 0.000) 0.206 6.154 ( 0.000 -0.073 0.000) 0.073 6.443 ( 0.000 -11.691 0.000) 11.691 6.521 ( 0.000 0.045 0.000) 0.045 6.544 ( 0.000 -0.244 0.000) 0.244 6.639 ( 0.000 3.747 0.000) 3.747 6.819 ( 0.000 6.563 0.000) 6.563 6.832 ( 0.000 2.194 0.000) 2.194 6.883 ( 0.000 3.291 0.000) 3.291 7.043 ( 0.000 -0.184 0.000) 0.184 7.146 ( 0.000 -3.267 0.000) 3.267 7.320 ( 0.000 -3.667 0.000) 3.667 7.354 ( 0.000 -4.006 0.000) 4.006 7.409 ( 0.000 -1.239 0.000) 1.239 7.468 ( 0.000 -4.087 0.000) 4.087 7.858 ( 0.000 1.961 0.000) 1.961 7.927 ( 0.000 4.440 0.000) 4.440 7.939 ( 0.000 -2.427 0.000) 2.427 8.043 ( 0.000 3.964 0.000) 3.964 8.134 ( 0.000 0.149 0.000) 0.149 8.307 ( 0.000 -3.065 0.000) 3.065 8.611 ( 0.000 4.772 0.000) 4.772 8.816 ( 0.000 0.755 0.000) 0.755 8.928 ( 0.000 -0.721 0.000) 0.721 8.944 ( 0.000 0.095 0.000) 0.095 8.992 ( 0.000 2.615 0.000) 2.615 9.022 ( 0.000 0.012 0.000) 0.012 9.136 ( 0.000 -2.194 0.000) 2.194 9.338 ( 0.000 -5.423 0.000) 5.423 9.859 ( 0.000 -0.057 0.000) 0.057 9.909 ( 0.000 -0.738 0.000) 0.738 10.043 ( 0.000 6.327 0.000) 6.327 10.146 ( 0.000 3.537 0.000) 3.537 10.359 ( 0.000 -3.883 0.000) 3.883 10.477 ( 0.000 -2.737 0.000) 2.737 10.902 ( 0.000 0.448 0.000) 0.448 11.024 ( 0.000 -3.334 0.000) 3.334 11.812 ( 0.000 1.335 0.000) 1.335 11.861 ( 0.000 -0.398 0.000) 0.398 12.204 ( 0.000 0.242 0.000) 0.242 12.215 ( 0.000 -0.093 0.000) 0.093 12.518 ( 0.000 6.187 0.000) 6.187 12.963 ( 0.000 -4.690 0.000) 4.690 16.415 ( 0.000 3.252 0.000) 3.252 16.784 ( 0.000 -7.726 0.000) 7.726 17.216 ( 0.000 2.507 0.000) 2.507 17.247 ( 0.000 7.989 0.000) 7.989 17.489 ( 0.000 -3.623 0.000) 3.623 17.674 ( 0.000 -3.783 0.000) 3.783 18.174 ( 0.000 1.698 0.000) 1.698 18.267 ( 0.000 -0.340 0.000) 0.340 19.232 ( 0.000 -0.174 0.000) 0.174 19.245 ( 0.000 -0.436 0.000) 0.436 19.841 ( 0.000 0.602 0.000) 0.602 19.864 ( 0.000 -0.007 0.000) 0.007 23.950 ( 0.000 2.268 0.000) 2.268 24.150 ( 0.000 5.537 0.000) 5.537 24.276 ( 0.000 -5.628 0.000) 5.628 24.576 ( 0.000 -5.219 0.000) 5.219 26.277 ( 0.000 7.568 0.000) 7.568 26.795 ( 0.000 -5.313 0.000) 5.313 27.038 ( 0.000 4.621 0.000) 4.621 27.372 ( 0.000 -3.538 0.000) 3.538 28.545 ( 0.000 -0.394 0.000) 0.394 28.558 ( 0.000 -0.474 0.000) 0.474 28.621 ( 0.000 1.519 0.000) 1.519 28.703 ( 0.000 -0.740 0.000) 0.740 34.794 ( 0.000 1.669 0.000) 1.669 34.955 ( 0.000 -2.356 0.000) 2.356 35.543 ( 0.000 2.471 0.000) 2.471 35.715 ( 0.000 -1.837 0.000) 1.837 38.575 ( 0.000 0.290 0.000) 0.290 38.603 ( 0.000 -0.378 0.000) 0.378 41.499 ( 0.000 0.390 0.000) 0.390 41.525 ( 0.000 -0.234 0.000) 0.234 ======================= Grid point 10 (7/111) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 4.726 21.239 10.365) 24.101 0.619 ( 12.860 18.818 0.518) 22.799 1.114 ( 16.563 33.980 5.537) 38.205 1.649 ( -1.825 -10.165 3.524) 10.913 1.749 ( -0.413 -13.344 -0.806) 13.375 2.339 ( 2.376 5.580 -5.493) 8.182 2.391 ( 1.222 -2.769 -3.682) 4.766 2.682 ( 2.115 1.772 7.241) 7.749 2.864 ( -4.003 -0.801 -6.319) 7.523 3.016 ( 3.938 -3.826 7.767) 9.512 3.042 ( 2.675 -6.473 1.508) 7.165 3.301 ( 1.584 0.278 2.833) 3.258 3.381 ( 1.306 4.850 0.391) 5.038 3.694 ( 0.381 -3.394 0.462) 3.446 3.962 ( 0.862 3.395 0.234) 3.511 4.211 ( 3.170 -3.085 -0.234) 4.430 4.841 ( -1.185 -0.466 1.367) 1.869 4.945 ( -3.077 2.995 10.487) 11.332 5.056 ( 4.155 -3.054 -11.908) 12.976 5.284 ( 2.136 -1.924 -0.895) 3.011 5.686 ( 0.498 7.007 0.757) 7.065 6.018 ( -4.157 1.371 -4.124) 6.014 6.235 ( 4.659 -2.221 -0.252) 5.168 6.418 ( -2.843 -8.386 1.052) 8.917 6.507 ( -0.773 -0.195 -1.439) 1.645 6.574 ( 3.107 -0.873 -4.311) 5.385 6.609 ( -1.232 3.260 -4.989) 6.085 6.789 ( -1.330 1.800 -3.674) 4.302 6.849 ( 0.778 5.762 -0.112) 5.815 6.882 ( -0.241 4.395 1.954) 4.816 7.038 ( -1.072 0.009 2.647) 2.855 7.122 ( -2.974 -2.346 3.475) 5.140 7.239 ( -2.364 -3.609 -4.545) 6.267 7.362 ( -1.166 -2.782 1.926) 3.579 7.445 ( 0.341 -4.646 -2.741) 5.405 7.513 ( 2.681 -2.889 5.223) 6.544 7.832 ( -4.108 0.268 -6.746) 7.903 7.845 ( 0.825 0.665 -11.034) 11.085 7.916 ( -2.276 5.091 2.362) 6.056 8.055 ( -5.693 4.254 3.290) 7.832 8.160 ( 5.421 2.160 1.878) 6.131 8.259 ( -1.840 5.467 4.488) 7.309 8.571 ( -13.265 13.715 -1.254) 19.121 8.625 ( 0.878 3.672 -0.702) 3.840 8.833 ( -0.254 0.159 2.950) 2.965 8.962 ( -0.855 1.725 5.603) 5.925 9.004 ( 1.254 2.242 -0.582) 2.634 9.121 ( -2.105 -2.748 2.783) 4.441 9.183 ( 7.003 -14.082 -13.944) 21.018 9.331 ( -1.577 -5.254 3.410) 6.459 9.762 ( -3.861 3.555 -2.331) 5.743 9.910 ( -0.581 -0.914 -3.590) 3.750 10.020 ( -0.763 5.738 -1.320) 5.937 10.182 ( 3.710 3.685 0.665) 5.271 10.368 ( 1.053 -3.783 -0.280) 3.937 10.498 ( 1.612 -2.668 1.586) 3.497 10.908 ( 0.740 0.639 1.552) 1.835 11.110 ( 3.714 -6.246 4.923) 8.778 11.632 ( -14.880 12.937 -1.686) 19.790 11.785 ( -3.300 1.043 -1.501) 3.772 11.999 ( -2.342 4.441 0.765) 5.079 12.193 ( -0.975 -1.810 -0.441) 2.102 12.504 ( -0.830 9.782 -1.255) 9.897 13.548 ( 20.051 -35.881 7.189) 41.728 16.415 ( -0.022 3.216 -0.085) 3.217 16.783 ( -0.051 -7.614 -0.442) 7.627 17.213 ( -0.774 1.791 1.635) 2.546 17.250 ( 0.421 7.685 -0.493) 7.712 17.482 ( -0.607 -4.210 0.038) 4.254 17.659 ( -1.455 -3.314 0.496) 3.653 18.094 ( -4.382 8.799 -2.604) 10.169 18.284 ( 2.155 -2.905 -0.206) 3.623 19.191 ( -1.332 0.396 0.741) 1.575 19.360 ( 5.965 -2.828 0.252) 6.606 19.686 ( -9.411 8.705 -3.082) 13.185 19.897 ( 2.713 -0.753 -1.056) 3.007 23.923 ( -2.644 2.364 0.841) 3.645 24.156 ( -0.523 3.277 2.133) 3.945 24.307 ( 2.291 -1.668 0.401) 2.863 24.685 ( 10.054 -5.797 2.428) 11.857 26.240 ( -2.467 7.997 -2.105) 8.630 26.516 ( -11.442 24.040 -4.558) 27.011 26.808 ( -1.174 -0.900 0.140) 1.486 28.002 ( 18.178 -36.005 4.387) 40.572 28.533 ( -0.673 -0.582 -0.766) 1.174 28.574 ( 0.626 -0.753 0.575) 1.135 28.625 ( 0.443 1.741 -0.094) 1.799 28.729 ( 1.725 -5.018 -0.085) 5.306 34.795 ( 0.068 1.658 0.140) 1.665 34.955 ( 0.140 -2.260 -0.215) 2.275 35.540 ( -0.311 2.478 0.312) 2.517 35.713 ( -0.311 -1.807 0.104) 1.837 38.555 ( -1.894 -0.986 1.389) 2.547 38.595 ( -0.763 -2.206 -0.207) 2.344 40.483 ( -53.688 60.682 -14.823) 82.368 41.399 ( -10.298 -0.622 -3.106) 10.774 ======================= Grid point 11 (8/111) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 6.162 16.382 10.113) 20.214 0.976 ( 19.025 6.959 5.187) 20.912 1.480 ( 17.361 18.539 5.271) 25.940 1.626 ( -2.872 -8.447 5.935) 10.715 1.736 ( 0.018 -10.721 -0.659) 10.741 2.367 ( 2.556 -3.535 -6.365) 7.716 2.420 ( 4.981 4.326 -4.428) 7.946 2.758 ( -2.931 0.866 0.985) 3.212 2.810 ( 5.647 2.554 3.529) 7.132 3.059 ( -0.158 -1.887 2.023) 2.771 3.169 ( 5.551 -4.686 5.841) 9.322 3.339 ( 0.885 -0.885 2.798) 3.065 3.420 ( 2.049 2.420 1.968) 3.732 3.698 ( -0.193 -2.173 0.193) 2.190 3.993 ( 1.768 3.958 1.515) 4.593 4.288 ( 4.487 -3.043 -0.304) 5.430 4.778 ( -4.622 1.808 -0.970) 5.057 4.930 ( -5.053 -1.336 9.885) 11.181 5.115 ( 8.564 1.635 -10.711) 13.811 5.353 ( 5.174 -2.402 -0.145) 5.706 5.708 ( 0.991 5.940 1.766) 6.276 5.931 ( -2.266 1.971 -4.931) 5.773 6.306 ( 3.286 -4.421 -2.660) 6.117 6.350 ( -3.661 -2.848 -2.353) 5.201 6.455 ( -2.974 2.666 -4.366) 5.917 6.567 ( -0.527 -3.132 -4.552) 5.550 6.606 ( 2.833 -0.296 -6.100) 6.732 6.737 ( -1.326 0.428 -5.891) 6.054 6.849 ( -1.651 4.472 4.923) 6.853 6.913 ( 1.920 6.590 2.487) 7.301 7.016 ( -3.142 -0.865 4.276) 5.376 7.093 ( -2.161 -1.542 3.966) 4.772 7.176 ( -1.412 -1.807 -6.996) 7.362 7.330 ( -2.141 -1.192 1.255) 2.754 7.453 ( 2.159 -5.395 -3.013) 6.546 7.530 ( -3.092 -1.225 3.438) 4.784 7.743 ( -1.925 0.473 -3.615) 4.123 7.789 ( -1.164 -0.411 -7.826) 7.923 7.885 ( -1.903 5.229 1.309) 5.716 8.030 ( 3.046 1.330 -2.547) 4.188 8.237 ( -4.577 11.454 3.760) 12.895 8.284 ( 4.461 4.084 2.798) 6.664 8.392 ( -4.877 2.898 4.805) 7.435 8.667 ( 2.741 0.791 0.396) 2.880 8.834 ( -1.720 -1.959 4.468) 5.173 8.972 ( -1.737 1.568 7.150) 7.523 9.022 ( 0.613 0.398 -0.389) 0.828 9.089 ( -2.184 -3.953 1.313) 4.703 9.197 ( 4.155 -10.060 -17.309) 20.447 9.314 ( -2.695 -4.831 6.014) 8.171 9.717 ( -0.680 2.695 -0.476) 2.820 9.866 ( -1.542 0.058 -3.800) 4.101 10.014 ( 0.478 3.837 -0.258) 3.876 10.259 ( 3.211 -1.534 -1.069) 3.716 10.408 ( 3.562 -0.479 0.619) 3.647 10.547 ( 2.245 -2.081 2.283) 3.818 10.941 ( 1.442 0.843 2.284) 2.830 11.179 ( 1.391 -5.342 4.097) 6.875 11.417 ( -8.212 9.526 -0.471) 12.586 11.678 ( -6.660 -0.539 -2.794) 7.243 11.994 ( 0.111 2.519 1.231) 2.806 12.172 ( -0.959 -3.391 -0.364) 3.542 12.486 ( 0.024 14.255 -1.156) 14.302 13.693 ( -2.646 -25.151 0.621) 25.297 16.413 ( -0.180 3.222 -0.075) 3.228 16.778 ( -0.079 -7.470 -0.717) 7.505 17.207 ( -0.816 0.237 2.492) 2.633 17.253 ( 0.129 7.020 -0.865) 7.074 17.469 ( -0.716 -5.613 0.408) 5.674 17.638 ( -0.804 -2.469 1.172) 2.849 18.025 ( -1.644 8.117 -3.228) 8.889 18.330 ( 2.454 -5.299 -0.521) 5.863 19.176 ( -0.712 2.038 0.623) 2.247 19.425 ( -0.152 6.471 -1.122) 6.569 19.550 ( -2.264 2.107 -1.271) 3.343 19.942 ( 2.387 -1.910 -1.662) 3.480 23.875 ( -2.677 2.310 1.402) 3.803 24.156 ( -0.346 1.406 2.282) 2.703 24.345 ( 1.033 3.947 1.127) 4.233 24.950 ( 14.656 -7.783 3.987) 17.067 26.216 ( 1.197 6.042 -2.114) 6.512 26.429 ( 0.583 17.483 -1.326) 17.542 26.781 ( -1.580 -0.508 -0.903) 1.889 28.116 ( -2.926 -27.470 -0.808) 27.637 28.516 ( -0.597 -0.261 -0.739) 0.985 28.572 ( -0.996 0.273 -0.030) 1.033 28.634 ( 0.514 2.050 -0.112) 2.116 28.731 ( -1.143 -4.546 -0.476) 4.712 34.797 ( 0.308 1.658 -0.562) 1.778 34.958 ( 0.284 -2.307 -0.205) 2.333 35.535 ( -0.425 2.486 0.483) 2.568 35.705 ( -0.391 -1.733 -0.141) 1.782 38.532 ( -1.120 -5.554 1.498) 5.861 38.573 ( -1.453 -4.243 0.328) 4.496 39.786 ( -18.872 49.283 -4.870) 52.998 41.131 ( -14.317 -4.126 -3.968) 15.419 ======================= Grid point 12 (9/111) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 5.536 11.495 7.595) 14.848 1.302 ( 11.040 7.877 2.619) 13.812 1.601 ( -2.138 -6.814 5.630) 9.094 1.730 ( 3.073 -5.527 2.674) 6.865 1.856 ( 14.818 3.425 3.073) 15.516 2.371 ( 0.957 -9.178 -4.612) 10.316 2.509 ( 4.721 6.774 -2.708) 8.690 2.713 ( -0.377 1.636 -2.776) 3.244 2.959 ( 3.673 0.748 8.540) 9.326 3.067 ( 2.515 2.331 -1.629) 3.796 3.249 ( -0.035 0.362 4.659) 4.673 3.366 ( 1.402 0.353 -3.114) 3.434 3.487 ( 2.879 -2.425 6.453) 7.470 3.694 ( -0.312 -1.088 0.620) 1.291 4.032 ( 0.960 4.175 2.090) 4.767 4.360 ( 2.668 -3.245 -0.141) 4.204 4.683 ( -3.952 2.522 -1.608) 4.956 4.867 ( -3.708 -2.073 1.750) 4.594 5.254 ( 8.571 2.516 -3.081) 9.449 5.469 ( 6.051 -2.383 1.035) 6.585 5.733 ( 0.503 5.396 2.002) 5.777 5.889 ( 0.298 2.584 -3.914) 4.700 6.257 ( -4.301 0.823 -3.068) 5.347 6.308 ( -2.307 -1.726 -3.979) 4.913 6.398 ( 1.082 0.381 -5.426) 5.546 6.533 ( -1.315 -5.510 -1.902) 5.975 6.624 ( 2.381 -1.511 -5.496) 6.177 6.682 ( -1.622 0.137 -4.809) 5.077 6.853 ( -0.613 1.040 6.207) 6.324 6.943 ( -1.722 3.055 3.651) 5.063 6.997 ( 0.167 5.331 4.047) 6.695 7.049 ( -4.068 -2.781 2.044) 5.335 7.120 ( 0.296 0.320 -9.963) 9.973 7.323 ( 1.225 0.265 0.034) 1.254 7.441 ( -4.135 -0.641 1.265) 4.371 7.515 ( 2.735 -4.085 -0.616) 4.955 7.702 ( -2.845 -1.281 -1.502) 3.463 7.721 ( -2.643 -1.557 -1.039) 3.239 7.863 ( -0.044 4.984 -1.338) 5.160 8.084 ( 1.416 0.358 -5.968) 6.144 8.133 ( -2.936 11.909 2.876) 12.598 8.371 ( 2.363 2.126 2.956) 4.341 8.401 ( 0.872 0.480 7.355) 7.422 8.722 ( 2.634 -1.129 -0.166) 2.871 8.808 ( -3.142 -3.404 3.690) 5.922 8.963 ( -3.853 -0.469 10.419) 11.119 9.015 ( 0.152 -1.744 -5.247) 5.531 9.061 ( -0.032 -3.367 -2.137) 3.988 9.197 ( 3.832 -5.474 -12.692) 14.344 9.292 ( -2.928 -3.740 7.206) 8.631 9.713 ( 0.024 2.151 0.206) 2.161 9.824 ( -0.966 1.458 -2.622) 3.152 10.032 ( 1.146 2.532 0.385) 2.806 10.279 ( 0.311 -6.918 -2.321) 7.303 10.502 ( 4.316 3.199 1.225) 5.510 10.611 ( 3.744 -0.398 2.357) 4.442 10.982 ( 1.598 0.736 2.087) 2.730 11.219 ( 0.883 -4.966 3.431) 6.101 11.275 ( -6.272 6.492 -1.630) 9.173 11.518 ( -7.750 -0.851 -2.724) 8.259 12.002 ( 0.105 2.315 0.695) 2.419 12.151 ( -1.059 -2.086 -0.317) 2.360 12.503 ( 2.036 13.490 -0.096) 13.643 13.569 ( -7.971 -16.499 -1.455) 18.381 16.408 ( -0.240 3.213 -0.045) 3.222 16.773 ( -0.054 -7.530 -0.661) 7.559 17.208 ( -0.235 -1.391 1.978) 2.430 17.244 ( -0.671 6.439 -0.482) 6.492 17.462 ( -0.247 -6.619 0.277) 6.630 17.645 ( 0.739 -2.551 1.433) 3.018 17.983 ( -1.233 7.111 -2.971) 7.805 18.364 ( 1.309 -7.771 -0.703) 7.912 19.168 ( -0.472 3.727 0.492) 3.788 19.373 ( -2.507 15.367 -1.546) 15.647 19.557 ( 1.412 -5.374 -0.101) 5.557 19.967 ( 1.024 -2.174 -1.473) 2.819 23.839 ( -1.739 2.034 1.250) 2.954 24.168 ( 0.475 -1.747 1.616) 2.427 24.358 ( -0.213 9.689 1.419) 9.795 25.247 ( 13.022 -10.327 3.926) 17.077 26.241 ( 2.143 3.914 -2.122) 4.941 26.480 ( 4.349 12.491 0.448) 13.234 26.735 ( -2.486 0.715 -1.670) 3.079 27.972 ( -9.470 -21.086 -2.215) 23.221 28.504 ( -0.196 0.616 -0.768) 1.004 28.546 ( -1.354 0.203 0.148) 1.377 28.643 ( 0.405 2.238 -0.107) 2.277 28.706 ( -0.835 -1.266 -0.314) 1.549 34.800 ( 0.337 1.665 -0.760) 1.861 34.963 ( 0.255 -2.396 -0.112) 2.412 35.530 ( -0.319 2.478 0.454) 2.539 35.698 ( -0.273 -1.702 -0.226) 1.739 38.526 ( -0.278 -8.919 0.953) 8.974 38.547 ( -1.353 -5.940 0.635) 6.125 39.543 ( -7.019 36.824 -1.289) 37.509 40.856 ( -11.311 -6.238 -3.111) 13.286 ======================= Grid point 13 (10/111) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 2.238 8.825 2.816) 9.530 1.424 ( 2.071 9.643 0.601) 9.881 1.599 ( -0.309 -5.509 1.874) 5.827 1.796 ( 2.135 0.555 1.379) 2.602 2.112 ( 7.853 -5.334 2.311) 9.770 2.362 ( 0.091 -12.617 -1.646) 12.724 2.546 ( 0.447 6.936 -1.303) 7.071 2.707 ( 0.279 2.232 -0.978) 2.453 2.986 ( -0.830 0.057 1.549) 1.758 3.169 ( 5.027 1.534 0.538) 5.283 3.249 ( -1.464 1.808 3.122) 3.893 3.356 ( -0.130 5.937 -3.230) 6.761 3.564 ( 1.618 -4.283 3.027) 5.488 3.693 ( -0.148 -1.364 0.690) 1.536 4.046 ( -0.144 4.145 0.937) 4.252 4.386 ( 0.365 -3.621 -0.062) 3.639 4.625 ( -1.299 2.792 -0.805) 3.183 4.824 ( -1.008 -2.247 -0.302) 2.481 5.375 ( 3.876 2.621 -0.357) 4.693 5.565 ( 2.581 -1.706 0.949) 3.237 5.752 ( 0.631 4.635 0.874) 4.758 5.892 ( 0.968 3.215 -1.573) 3.708 6.171 ( -2.522 2.931 -1.718) 4.231 6.233 ( -2.336 0.595 -1.999) 3.131 6.410 ( 1.271 -2.337 -2.211) 3.459 6.503 ( -1.043 -4.946 -0.093) 5.056 6.632 ( -0.650 -1.569 -2.440) 2.972 6.648 ( 1.158 -2.524 -1.814) 3.317 6.886 ( 1.480 -2.649 1.570) 3.416 6.918 ( -2.146 0.344 4.960) 5.415 6.972 ( -2.875 1.443 -1.359) 3.492 7.036 ( 0.597 6.021 3.429) 6.955 7.086 ( 0.508 1.874 -6.902) 7.170 7.361 ( 0.621 -0.545 0.490) 0.961 7.387 ( -0.092 1.072 0.888) 1.395 7.557 ( 1.969 -2.408 -6.337) 7.059 7.608 ( -4.868 -2.851 5.790) 8.084 7.700 ( -0.310 -1.367 -0.401) 1.458 7.866 ( 0.632 5.669 -0.925) 5.778 8.026 ( -2.149 8.857 -0.149) 9.116 8.160 ( 1.610 0.737 -1.320) 2.209 8.411 ( 0.706 1.100 1.770) 2.200 8.455 ( 1.168 0.586 2.822) 3.110 8.746 ( -0.871 -4.812 -0.129) 4.892 8.780 ( 0.259 -1.639 0.866) 1.872 8.933 ( -2.785 -3.626 5.018) 6.789 8.995 ( 0.444 -0.379 -3.796) 3.841 9.061 ( 0.366 -2.206 -0.673) 2.335 9.208 ( 1.947 -4.507 -5.608) 7.454 9.277 ( -1.626 -2.818 4.388) 5.462 9.715 ( 0.052 2.099 0.163) 2.106 9.804 ( -0.219 2.772 -0.912) 2.927 10.053 ( 0.608 2.078 0.326) 2.189 10.268 ( -0.180 -8.269 -1.153) 8.351 10.552 ( 0.825 3.094 0.459) 3.235 10.709 ( 3.730 1.890 1.550) 4.460 11.028 ( 2.626 1.320 1.429) 3.268 11.132 ( -6.025 0.592 -1.930) 6.354 11.279 ( 2.948 -0.420 1.851) 3.506 11.376 ( -5.434 -1.542 -1.625) 5.878 12.005 ( 0.018 2.150 0.178) 2.158 12.133 ( -0.549 -0.979 -0.143) 1.131 12.546 ( 1.597 11.028 0.257) 11.146 13.433 ( -4.156 -12.242 -0.915) 12.961 16.405 ( -0.110 3.199 -0.015) 3.200 16.770 ( -0.018 -7.673 -0.266) 7.677 17.214 ( 0.109 -2.301 0.450) 2.347 17.230 ( -0.521 6.052 0.189) 6.077 17.460 ( -0.025 -6.979 0.024) 6.979 17.669 ( 0.721 -3.293 0.778) 3.460 17.951 ( -0.688 7.247 -1.330) 7.400 18.376 ( 0.333 -9.361 -0.330) 9.373 19.162 ( -0.249 4.423 0.161) 4.433 19.337 ( -0.764 17.009 -0.534) 17.035 19.577 ( 0.550 -6.005 -0.033) 6.031 19.972 ( 0.206 -1.975 -0.580) 2.068 23.821 ( -0.590 1.772 0.492) 1.931 24.184 ( 0.403 -5.720 0.545) 5.760 24.356 ( -0.333 15.112 0.680) 15.131 25.446 ( 5.213 -11.638 1.695) 12.864 26.270 ( 1.393 1.861 -0.872) 2.482 26.578 ( 4.687 9.359 1.448) 10.566 26.669 ( -3.477 1.609 -1.838) 4.249 27.802 ( -5.383 -15.869 -1.191) 16.800 28.500 ( 0.006 1.602 -0.410) 1.654 28.528 ( -0.524 -1.049 0.204) 1.190 28.648 ( 0.156 2.314 -0.045) 2.320 28.696 ( -0.205 -0.063 -0.106) 0.239 34.802 ( 0.139 1.670 -0.333) 1.709 34.966 ( 0.099 -2.448 -0.031) 2.450 35.528 ( -0.110 2.459 0.188) 2.469 35.693 ( -0.091 -1.706 -0.102) 1.711 38.526 ( -0.004 -6.721 -0.098) 6.721 38.531 ( -0.553 -10.459 0.719) 10.498 39.458 ( -1.934 31.879 -0.223) 31.938 40.692 ( -4.181 -6.818 -1.154) 8.081 ======================= Grid point 18 (11/111) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 23.305 0.000) 23.305 1.004 ( 0.000 23.785 0.000) 23.785 1.345 ( 0.000 -17.433 0.000) 17.433 1.407 ( 0.000 -17.485 0.000) 17.485 1.727 ( 0.000 32.561 0.000) 32.561 2.234 ( 0.000 -16.346 0.000) 16.346 2.468 ( 0.000 6.905 0.000) 6.905 2.648 ( 0.000 -14.223 0.000) 14.223 2.710 ( 0.000 5.808 0.000) 5.808 2.843 ( 0.000 -7.355 0.000) 7.355 3.117 ( 0.000 7.601 0.000) 7.601 3.235 ( 0.000 -4.423 0.000) 4.423 3.486 ( 0.000 6.415 0.000) 6.415 3.599 ( 0.000 -5.471 0.000) 5.471 4.026 ( 0.000 4.288 0.000) 4.288 4.108 ( 0.000 -4.209 0.000) 4.209 4.844 ( 0.000 2.313 0.000) 2.313 4.924 ( 0.000 -5.905 0.000) 5.905 5.078 ( 0.000 6.943 0.000) 6.943 5.201 ( 0.000 -5.534 0.000) 5.534 5.885 ( 0.000 13.347 0.000) 13.347 6.107 ( 0.000 -2.045 0.000) 2.045 6.147 ( 0.000 -0.711 0.000) 0.711 6.183 ( 0.000 -12.175 0.000) 12.175 6.531 ( 0.000 0.976 0.000) 0.976 6.548 ( 0.000 -0.425 0.000) 0.425 6.729 ( 0.000 5.293 0.000) 5.293 6.818 ( 0.000 -3.437 0.000) 3.437 6.959 ( 0.000 4.238 0.000) 4.238 6.970 ( 0.000 7.900 0.000) 7.900 7.027 ( 0.000 -1.518 0.000) 1.518 7.089 ( 0.000 -3.217 0.000) 3.217 7.248 ( 0.000 -2.853 0.000) 2.853 7.261 ( 0.000 -4.459 0.000) 4.459 7.387 ( 0.000 -0.578 0.000) 0.578 7.402 ( 0.000 -2.315 0.000) 2.315 7.872 ( 0.000 0.701 0.000) 0.701 7.896 ( 0.000 -1.849 0.000) 1.849 8.039 ( 0.000 5.570 0.000) 5.570 8.115 ( 0.000 -2.373 0.000) 2.373 8.133 ( 0.000 5.236 0.000) 5.236 8.231 ( 0.000 -4.818 0.000) 4.818 8.715 ( 0.000 5.548 0.000) 5.548 8.802 ( 0.000 -3.035 0.000) 3.035 8.918 ( 0.000 0.721 0.000) 0.721 8.940 ( 0.000 -0.821 0.000) 0.821 9.033 ( 0.000 1.590 0.000) 1.590 9.081 ( 0.000 1.520 0.000) 1.520 9.083 ( 0.000 1.630 0.000) 1.630 9.214 ( 0.000 -7.195 0.000) 7.195 9.871 ( 0.000 1.033 0.000) 1.033 9.892 ( 0.000 -1.058 0.000) 1.058 10.156 ( 0.000 5.594 0.000) 5.594 10.257 ( 0.000 7.483 0.000) 7.483 10.264 ( 0.000 -5.704 0.000) 5.704 10.392 ( 0.000 -6.114 0.000) 6.114 10.919 ( 0.000 1.421 0.000) 1.421 10.960 ( 0.000 -2.952 0.000) 2.952 11.835 ( 0.000 1.019 0.000) 1.019 11.851 ( 0.000 -0.676 0.000) 0.676 12.210 ( 0.000 0.262 0.000) 0.262 12.213 ( 0.000 -0.104 0.000) 0.104 12.669 ( 0.000 9.100 0.000) 9.100 12.838 ( 0.000 -8.193 0.000) 8.193 16.504 ( 0.000 5.933 0.000) 5.933 16.634 ( 0.000 -7.669 0.000) 7.669 17.283 ( 0.000 4.417 0.000) 4.417 17.360 ( 0.000 -0.985 0.000) 0.985 17.447 ( 0.000 4.106 0.000) 4.106 17.573 ( 0.000 -6.599 0.000) 6.599 18.214 ( 0.000 2.230 0.000) 2.230 18.250 ( 0.000 -1.453 0.000) 1.453 19.230 ( 0.000 0.105 0.000) 0.105 19.236 ( 0.000 -0.472 0.000) 0.472 19.853 ( 0.000 0.624 0.000) 0.624 19.862 ( 0.000 -0.264 0.000) 0.264 24.024 ( 0.000 5.419 0.000) 5.419 24.147 ( 0.000 -7.249 0.000) 7.249 24.285 ( 0.000 8.240 0.000) 8.240 24.444 ( 0.000 -8.174 0.000) 8.174 26.458 ( 0.000 10.661 0.000) 10.661 26.653 ( 0.000 -9.364 0.000) 9.364 27.151 ( 0.000 6.806 0.000) 6.806 27.278 ( 0.000 -6.158 0.000) 6.158 28.542 ( 0.000 0.115 0.000) 0.115 28.548 ( 0.000 -0.520 0.000) 0.520 28.653 ( 0.000 1.737 0.000) 1.737 28.683 ( 0.000 -1.385 0.000) 1.385 34.838 ( 0.000 2.910 0.000) 2.910 34.899 ( 0.000 -3.295 0.000) 3.295 35.602 ( 0.000 3.507 0.000) 3.507 35.667 ( 0.000 -3.155 0.000) 3.155 38.583 ( 0.000 0.514 0.000) 0.514 38.593 ( 0.000 -0.568 0.000) 0.568 41.508 ( 0.000 0.552 0.000) 0.552 41.518 ( 0.000 -0.455 0.000) 0.455 ======================= Grid point 19 (12/111) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.951 21.449 6.409) 22.471 1.036 ( 3.836 22.235 -0.396) 22.567 1.356 ( 0.018 -17.740 3.832) 18.149 1.426 ( 2.354 -17.828 -1.593) 18.053 1.781 ( 4.565 29.551 0.988) 29.918 2.226 ( -0.133 -15.065 -3.126) 15.387 2.483 ( 3.418 7.765 -4.834) 9.765 2.673 ( 2.853 -12.987 -3.132) 13.661 2.760 ( 3.351 6.167 6.304) 9.434 2.893 ( 3.620 -7.053 5.648) 9.734 3.112 ( -0.998 7.525 2.758) 8.076 3.246 ( 0.279 -5.711 2.074) 6.082 3.494 ( 0.555 6.419 0.813) 6.495 3.608 ( 0.666 -5.461 0.672) 5.542 4.045 ( 1.897 4.979 0.191) 5.331 4.137 ( 2.876 -4.515 0.220) 5.358 4.856 ( -0.248 2.243 2.307) 3.228 4.923 ( -1.999 -4.300 4.974) 6.872 5.094 ( 3.820 6.092 -5.754) 9.209 5.212 ( 2.208 -5.513 -2.178) 6.325 5.871 ( -1.060 11.657 -0.243) 11.708 6.039 ( -3.604 -1.789 -3.374) 5.251 6.175 ( 2.188 -3.322 -1.842) 4.384 6.218 ( 1.971 -8.460 0.970) 8.741 6.525 ( 0.534 1.946 -3.952) 4.438 6.561 ( 2.006 -1.319 -3.737) 4.442 6.697 ( -2.536 5.088 -3.579) 6.718 6.779 ( -2.521 -2.928 -4.287) 5.771 6.958 ( -0.647 5.208 2.390) 5.767 6.991 ( 1.061 5.267 2.144) 5.785 7.028 ( -1.124 -1.162 2.611) 3.071 7.070 ( -1.211 -2.963 2.587) 4.115 7.207 ( -1.065 1.223 -2.808) 3.243 7.288 ( 1.068 -5.566 -1.651) 5.903 7.379 ( -1.516 0.075 1.651) 2.243 7.436 ( 1.877 -4.710 3.009) 5.896 7.834 ( -1.798 0.188 -7.996) 8.197 7.842 ( -1.233 -0.548 -8.734) 8.837 8.018 ( -2.406 4.692 -0.049) 5.273 8.075 ( -3.795 -1.097 1.609) 4.265 8.206 ( 4.417 3.036 4.529) 7.017 8.265 ( 2.025 -2.504 6.373) 7.140 8.705 ( -0.933 5.201 1.091) 5.395 8.779 ( -3.012 1.842 -1.229) 3.739 8.840 ( -7.674 3.284 5.089) 9.776 8.941 ( -2.733 -6.024 6.003) 8.933 9.011 ( 0.604 1.689 -4.340) 4.696 9.064 ( -1.142 -2.535 -0.334) 2.801 9.102 ( 2.650 4.184 -5.313) 7.263 9.215 ( -0.103 -6.565 0.651) 6.598 9.817 ( -3.238 2.731 -1.714) 4.570 9.869 ( -1.660 -2.716 -2.536) 4.069 10.136 ( -1.112 6.170 -1.513) 6.450 10.237 ( -1.070 -2.281 -0.973) 2.701 10.316 ( 3.985 2.693 1.508) 5.041 10.418 ( 2.218 -5.550 1.709) 6.217 10.940 ( 1.567 2.676 2.067) 3.727 11.008 ( 2.930 -4.514 3.138) 6.229 11.761 ( -7.941 3.006 -2.207) 8.773 11.792 ( -4.983 -0.554 -1.797) 5.326 12.095 ( -4.955 4.484 -0.562) 6.707 12.157 ( -3.232 -2.283 -0.887) 4.055 12.735 ( 4.731 14.286 0.584) 15.060 13.049 ( 12.592 -19.613 3.298) 23.539 16.503 ( -0.038 5.925 -0.086) 5.926 16.634 ( -0.017 -7.651 -0.228) 7.654 17.267 ( -1.693 4.016 0.560) 4.394 17.349 ( -1.406 -2.418 0.635) 2.868 17.439 ( -0.423 4.878 -0.379) 4.911 17.565 ( -0.601 -6.314 -0.169) 6.345 18.201 ( -1.282 3.405 -1.360) 3.885 18.245 ( 0.163 -1.667 -0.757) 1.838 19.226 ( 0.516 2.890 0.913) 3.074 19.292 ( 3.725 -3.873 0.772) 5.429 19.805 ( -3.496 4.534 -1.896) 6.031 19.869 ( 0.688 -2.299 -1.300) 2.729 23.997 ( -2.579 5.322 1.181) 6.030 24.112 ( -2.663 -6.094 1.799) 6.889 24.379 ( 7.182 7.915 1.245) 10.760 24.543 ( 8.760 -8.673 2.005) 12.489 26.420 ( -2.437 10.417 -2.439) 10.972 26.603 ( -3.216 -7.808 -3.382) 9.097 27.053 ( -3.325 20.675 0.479) 20.946 27.458 ( 8.654 -23.181 2.681) 24.888 28.532 ( -0.659 0.548 -0.219) 0.884 28.551 ( 0.010 -1.321 0.274) 1.349 28.658 ( 0.586 1.618 -0.205) 1.733 28.685 ( 0.271 -1.326 -0.173) 1.365 34.839 ( 0.308 2.913 -0.775) 3.030 34.900 ( 0.263 -3.291 -0.586) 3.353 35.600 ( -0.307 3.508 0.324) 3.536 35.665 ( -0.310 -3.143 0.279) 3.171 38.554 ( -3.101 0.551 0.768) 3.242 38.570 ( -2.172 -1.055 0.031) 2.415 41.133 ( -29.437 17.751 -7.679) 35.223 41.342 ( -15.652 -6.118 -4.509) 17.399 ======================= Grid point 20 (13/111) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 2.327 18.069 9.251) 20.432 1.189 ( 12.006 14.377 2.269) 18.868 1.383 ( -0.186 -15.056 7.167) 16.676 1.484 ( 4.733 -15.212 -1.290) 15.983 1.879 ( 5.065 20.172 -0.663) 20.809 2.201 ( -0.293 -13.030 -4.768) 13.878 2.558 ( 6.228 8.257 -4.260) 11.186 2.706 ( 2.006 -6.475 -3.238) 7.513 2.890 ( 6.202 6.014 6.052) 10.548 3.017 ( 5.772 -6.223 1.827) 8.682 3.129 ( 0.882 4.935 8.422) 9.801 3.261 ( -0.051 -6.848 3.944) 7.903 3.511 ( 0.508 6.271 1.605) 6.493 3.626 ( 0.500 -5.278 1.247) 5.447 4.096 ( 2.786 6.292 0.850) 6.934 4.209 ( 3.903 -5.245 0.507) 6.557 4.823 ( -3.761 2.930 0.491) 4.793 4.884 ( -4.200 -3.196 3.502) 6.334 5.181 ( 7.657 5.056 -4.525) 10.231 5.282 ( 5.932 -4.941 -1.615) 7.887 5.856 ( -0.309 8.801 0.688) 8.833 5.965 ( -2.114 -0.444 -2.867) 3.589 6.208 ( 2.155 -3.745 -2.205) 4.851 6.246 ( 0.758 -6.285 -0.721) 6.372 6.506 ( 0.127 3.218 -7.602) 8.256 6.557 ( -1.404 -1.072 -7.403) 7.611 6.618 ( -1.062 2.996 -5.233) 6.122 6.698 ( -2.703 -4.081 -5.084) 7.058 6.935 ( -3.880 3.672 4.215) 6.805 6.986 ( -3.245 -1.380 3.943) 5.290 7.047 ( 1.463 4.437 5.028) 6.863 7.097 ( 1.303 0.950 3.035) 3.437 7.177 ( -0.175 3.382 -4.379) 5.536 7.298 ( 1.688 -6.850 -2.132) 7.371 7.358 ( -1.038 2.476 0.904) 2.833 7.468 ( -0.366 -5.939 2.855) 6.600 7.749 ( -2.818 0.584 -6.504) 7.112 7.769 ( -2.396 -1.315 -7.553) 8.032 7.972 ( -1.435 3.790 -0.967) 4.167 8.023 ( -0.107 -1.566 -3.108) 3.481 8.312 ( 2.876 2.432 7.050) 7.993 8.346 ( 1.922 -0.698 7.957) 8.216 8.625 ( -9.003 14.696 -1.405) 17.292 8.702 ( -0.469 4.043 1.983) 4.528 8.772 ( -3.573 -4.855 4.388) 7.456 8.889 ( -4.124 -11.039 2.286) 12.004 9.010 ( 1.204 1.661 -4.516) 4.960 9.051 ( 0.023 -1.181 -0.997) 1.546 9.127 ( 2.022 2.352 -2.747) 4.144 9.215 ( -0.729 -5.498 2.434) 6.057 9.767 ( -1.114 2.704 -0.883) 3.055 9.825 ( -1.224 -3.269 -2.213) 4.133 10.111 ( -0.654 5.579 -1.536) 5.824 10.207 ( -1.205 -4.153 -2.020) 4.773 10.424 ( 5.919 2.528 2.519) 6.912 10.489 ( 3.879 -3.711 2.508) 5.925 10.985 ( 1.493 3.655 2.788) 4.833 11.072 ( 1.655 -5.377 3.609) 6.684 11.572 ( -9.024 6.134 -2.600) 11.217 11.651 ( -7.760 -2.526 -2.958) 8.680 12.057 ( -0.454 3.612 0.866) 3.742 12.118 ( -0.812 -2.801 0.221) 2.925 12.803 ( 1.940 19.060 -0.581) 19.167 13.209 ( 2.833 -23.946 0.431) 24.117 16.501 ( -0.168 5.906 -0.173) 5.911 16.631 ( -0.134 -7.620 -0.396) 7.631 17.232 ( -2.089 2.940 0.997) 3.742 17.313 ( -2.507 -4.237 0.958) 5.015 17.435 ( 0.309 5.695 -0.611) 5.736 17.557 ( -0.029 -5.802 -0.268) 5.808 18.160 ( -1.851 5.558 -1.920) 6.165 18.244 ( -0.004 -3.953 -1.218) 4.136 19.250 ( 1.132 5.358 1.068) 5.579 19.365 ( 3.084 -6.394 0.924) 7.159 19.727 ( -3.000 10.103 -2.286) 10.784 19.875 ( 0.771 -5.489 -1.849) 5.843 23.952 ( -2.648 5.699 1.823) 6.543 24.077 ( -2.111 -6.869 2.425) 7.584 24.527 ( 6.866 12.365 1.806) 14.258 24.760 ( 11.524 -11.686 3.116) 16.705 26.372 ( -0.750 9.476 -3.099) 9.998 26.536 ( -1.443 -6.186 -3.945) 7.478 27.023 ( -1.151 24.966 1.272) 25.025 27.551 ( 0.193 -29.761 0.736) 29.770 28.519 ( -0.568 0.846 -0.157) 1.031 28.548 ( -0.516 -1.967 0.023) 2.033 28.670 ( 0.667 1.492 -0.262) 1.655 28.690 ( 0.327 -0.873 -0.270) 0.971 34.842 ( 0.453 2.919 -1.097) 3.151 34.902 ( 0.388 -3.302 -0.798) 3.419 35.594 ( -0.444 3.494 0.512) 3.559 35.659 ( -0.447 -3.093 0.341) 3.143 38.487 ( -3.808 0.391 0.862) 3.924 38.519 ( -2.982 -2.510 0.362) 3.914 40.556 ( -23.517 30.569 -6.133) 39.053 40.968 ( -18.397 -14.113 -4.992) 23.718 ======================= Grid point 21 (14/111) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 2.201 14.909 6.335) 16.348 1.414 ( -0.137 -12.584 5.971) 13.929 1.469 ( 13.253 8.633 3.776) 16.262 1.613 ( 8.628 -6.693 2.801) 11.273 1.964 ( 4.110 8.417 -1.089) 9.430 2.163 ( -1.546 -11.699 -4.127) 12.501 2.644 ( 3.900 6.211 -3.076) 7.953 2.719 ( 1.278 -1.589 -3.303) 3.882 3.008 ( 1.730 4.648 4.576) 6.748 3.100 ( 3.578 -2.143 -1.605) 4.469 3.228 ( 3.344 1.694 8.151) 8.972 3.322 ( 5.338 -5.313 3.384) 8.257 3.523 ( -0.522 5.654 2.515) 6.210 3.635 ( -0.450 -5.069 1.676) 5.358 4.145 ( 1.382 7.057 1.207) 7.291 4.272 ( 2.007 -5.910 0.561) 6.267 4.744 ( -3.578 3.671 -1.061) 5.235 4.813 ( -3.462 -3.407 -0.025) 4.858 5.321 ( 7.798 4.309 -1.387) 9.016 5.405 ( 6.677 -4.165 -0.086) 7.870 5.864 ( 0.166 7.248 1.842) 7.480 5.937 ( 0.315 0.759 -1.634) 1.829 6.231 ( 0.307 -2.827 0.056) 2.845 6.244 ( 0.564 -3.638 -2.891) 4.681 6.436 ( -3.193 2.525 -7.996) 8.972 6.461 ( -2.709 -1.279 -6.376) 7.045 6.601 ( 1.000 -0.041 -5.697) 5.784 6.645 ( -0.286 -3.560 -5.185) 6.296 6.869 ( -4.692 1.798 5.026) 7.107 6.926 ( -5.297 -3.596 5.445) 8.404 7.079 ( -0.561 4.667 2.843) 5.493 7.117 ( 0.337 1.116 -2.217) 2.504 7.183 ( 2.950 8.829 -2.416) 9.617 7.338 ( 1.752 -2.325 0.710) 2.997 7.365 ( 2.161 -1.712 0.073) 2.758 7.457 ( -1.542 -3.769 1.989) 4.532 7.669 ( -2.806 -1.648 -3.311) 4.643 7.675 ( -4.236 -2.028 -2.602) 5.369 7.962 ( 1.371 4.823 -3.186) 5.941 8.039 ( 3.207 -3.366 -5.131) 6.924 8.363 ( -3.062 5.143 8.439) 10.346 8.394 ( -0.904 -0.008 6.544) 6.607 8.497 ( -1.500 12.589 -2.043) 12.842 8.691 ( -2.849 -3.831 2.103) 5.217 8.734 ( -0.426 -1.842 0.084) 1.893 8.830 ( -2.745 -10.240 0.923) 10.641 9.009 ( 0.755 1.796 -3.034) 3.605 9.047 ( -0.021 -0.957 -0.709) 1.191 9.150 ( 1.382 1.098 -1.217) 2.144 9.213 ( -0.921 -4.360 3.371) 5.588 9.758 ( 0.123 2.511 -0.023) 2.515 9.807 ( 0.181 -2.461 -1.150) 2.722 10.098 ( -0.003 3.933 -1.074) 4.077 10.174 ( -1.020 -4.354 -2.127) 4.952 10.551 ( 5.145 2.254 2.257) 6.053 10.590 ( 5.385 -1.742 2.511) 6.192 11.021 ( 0.936 3.433 2.380) 4.281 11.109 ( 0.462 -5.668 2.986) 6.423 11.403 ( -7.074 5.950 -2.252) 9.514 11.486 ( -7.443 -2.820 -2.662) 8.393 12.058 ( -0.087 3.170 0.635) 3.234 12.111 ( -0.364 -2.350 0.332) 2.401 12.814 ( 0.080 18.754 -0.911) 18.776 13.197 ( -2.719 -21.053 -1.112) 21.257 16.496 ( -0.226 5.877 -0.191) 5.884 16.625 ( -0.192 -7.613 -0.394) 7.626 17.203 ( -1.395 1.539 0.873) 2.254 17.270 ( -2.250 -4.552 0.796) 5.140 17.443 ( 0.719 5.858 -0.547) 5.927 17.563 ( 0.750 -5.760 -0.072) 5.809 18.116 ( -1.611 6.453 -1.619) 6.845 18.232 ( -0.596 -6.143 -1.144) 6.277 19.271 ( 0.544 6.851 0.691) 6.907 19.414 ( 1.546 -7.691 0.552) 7.864 19.676 ( -1.248 13.704 -1.618) 13.856 19.879 ( 0.566 -7.497 -1.456) 7.658 23.917 ( -1.904 6.039 1.578) 6.526 24.053 ( -1.538 -7.800 1.985) 8.194 24.651 ( 4.966 18.156 1.631) 18.894 24.988 ( 9.771 -16.466 2.925) 19.369 26.357 ( 0.415 7.858 -2.636) 8.299 26.508 ( 0.124 -6.825 -2.834) 7.391 27.006 ( -1.139 24.214 0.745) 24.252 27.503 ( -4.208 -26.813 -0.411) 27.144 28.510 ( -0.203 0.697 -0.175) 0.747 28.533 ( -0.849 -1.430 -0.082) 1.665 28.680 ( 0.482 1.438 -0.203) 1.530 28.695 ( 0.279 -0.290 -0.238) 0.468 34.845 ( 0.380 2.927 -0.894) 3.084 34.906 ( 0.327 -3.337 -0.613) 3.409 35.589 ( -0.359 3.449 0.465) 3.499 35.652 ( -0.361 -3.025 0.241) 3.057 38.429 ( -2.454 -0.598 0.714) 2.625 38.467 ( -2.352 -3.791 0.365) 4.476 40.195 ( -12.070 29.988 -2.950) 32.460 40.642 ( -12.466 -17.093 -3.295) 21.411 ======================= Grid point 22 (15/111) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.948 12.508 2.304) 12.754 1.434 ( 0.027 -11.280 1.948) 11.447 1.660 ( 4.644 13.891 1.709) 14.746 1.830 ( 9.937 0.116 3.824) 10.648 1.999 ( -1.603 -4.052 -1.378) 4.570 2.103 ( -1.734 -12.629 -1.922) 12.892 2.675 ( 1.026 5.347 -1.724) 5.711 2.728 ( 0.807 -0.427 -1.491) 1.748 3.022 ( -0.774 4.052 1.685) 4.456 3.124 ( -0.195 -5.509 0.560) 5.541 3.333 ( 3.498 6.399 1.786) 7.508 3.445 ( 5.287 -3.006 -0.469) 6.100 3.512 ( -2.186 4.490 2.707) 5.680 3.628 ( -0.770 -5.389 1.170) 5.568 4.159 ( -0.099 7.164 0.570) 7.187 4.291 ( 0.045 -6.256 0.227) 6.260 4.693 ( -1.149 4.021 -0.739) 4.247 4.767 ( -1.046 -3.611 -0.609) 3.808 5.438 ( 3.698 3.731 0.036) 5.254 5.509 ( 3.207 -3.666 0.404) 4.887 5.875 ( 0.124 6.953 1.168) 7.052 5.944 ( 0.557 0.660 -0.514) 1.005 6.218 ( -0.449 1.449 -0.402) 1.570 6.243 ( -0.483 -0.584 -1.112) 1.346 6.364 ( -0.072 -1.323 -3.520) 3.762 6.392 ( -2.190 -4.130 -2.279) 5.201 6.596 ( 0.736 -1.076 -2.868) 3.151 6.619 ( -0.316 -1.688 -2.430) 2.975 6.823 ( -1.771 -1.074 1.826) 2.761 6.861 ( -2.938 -3.602 3.360) 5.735 7.074 ( -0.384 5.293 0.311) 5.316 7.112 ( 0.437 0.778 -1.925) 2.122 7.222 ( 1.174 10.640 -0.284) 10.709 7.369 ( 1.805 -0.676 -1.334) 2.344 7.391 ( -1.480 -0.057 3.753) 4.035 7.465 ( 2.445 -5.115 -1.837) 5.960 7.581 ( -3.904 -0.156 0.788) 3.986 7.629 ( -0.661 -5.056 -1.104) 5.217 7.982 ( 1.596 5.732 -2.081) 6.303 8.069 ( 1.542 -3.129 -2.614) 4.359 8.305 ( -3.136 10.320 2.738) 11.128 8.409 ( -0.492 -1.845 3.578) 4.055 8.501 ( 0.523 5.417 -0.102) 5.443 8.644 ( -1.498 -6.152 -0.060) 6.332 8.744 ( 0.753 -1.386 -0.080) 1.580 8.792 ( -1.462 -7.678 0.308) 7.822 9.009 ( 0.250 1.767 -0.958) 2.026 9.044 ( -0.018 -1.164 -0.249) 1.190 9.165 ( 0.585 0.544 -0.571) 0.982 9.213 ( -0.491 -3.556 1.803) 4.017 9.763 ( 0.195 2.767 0.127) 2.777 9.811 ( 0.373 -1.816 -0.340) 1.885 10.097 ( 0.176 2.398 -0.300) 2.423 10.150 ( -0.444 -3.889 -1.017) 4.044 10.627 ( 1.889 4.463 0.869) 4.923 10.700 ( 3.571 -2.604 1.351) 4.622 11.054 ( 1.785 1.993 1.432) 3.035 11.110 ( -1.775 -3.284 0.661) 3.791 11.300 ( -1.743 3.177 -0.594) 3.672 11.353 ( -4.690 -1.750 -1.625) 5.263 12.058 ( -0.104 2.942 0.183) 2.950 12.105 ( -0.264 -1.965 0.084) 1.985 12.811 ( 0.026 16.274 -0.338) 16.277 13.138 ( -1.887 -17.538 -0.673) 17.652 16.492 ( -0.103 5.854 -0.084) 5.856 16.621 ( -0.087 -7.622 -0.166) 7.625 17.188 ( -0.429 0.441 0.332) 0.699 17.241 ( -0.921 -4.295 0.294) 4.403 17.453 ( 0.367 6.065 -0.209) 6.080 17.578 ( 0.506 -6.105 0.034) 6.126 18.087 ( -0.705 6.808 -0.644) 6.875 18.217 ( -0.362 -7.317 -0.462) 7.340 19.278 ( 0.060 7.527 0.195) 7.530 19.433 ( 0.405 -8.379 0.154) 8.390 19.658 ( -0.218 15.227 -0.546) 15.238 19.882 ( 0.209 -8.101 -0.529) 8.121 23.897 ( -0.697 6.139 0.614) 6.209 24.039 ( -0.588 -8.365 0.759) 8.420 24.725 ( 1.897 22.043 0.674) 22.135 25.138 ( 3.973 -20.163 1.244) 20.588 26.354 ( 0.239 6.803 -1.079) 6.892 26.503 ( 0.203 -7.989 -1.005) 8.055 26.992 ( -0.456 22.492 0.206) 22.498 27.428 ( -2.447 -22.435 -0.336) 22.570 28.510 ( 0.205 0.178 -0.138) 0.304 28.518 ( -0.627 -0.499 0.013) 0.801 28.686 ( 0.175 1.408 -0.076) 1.421 28.698 ( 0.110 0.016 -0.094) 0.145 34.847 ( 0.145 2.936 -0.338) 2.959 34.908 ( 0.126 -3.369 -0.221) 3.378 35.586 ( -0.133 3.401 0.187) 3.408 35.648 ( -0.134 -2.985 0.085) 2.989 38.401 ( -0.773 -1.523 0.285) 1.732 38.437 ( -0.862 -4.359 0.141) 4.446 40.038 ( -3.632 27.778 -0.825) 28.026 40.469 ( -4.244 -17.201 -1.102) 17.751 ======================= Grid point 45 (16/111) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 9.488 0.000 19.853) 22.004 0.509 ( 0.225 0.000 25.740) 25.741 1.206 ( -11.828 0.000 60.034) 61.188 1.909 ( 0.727 0.000 2.973) 3.061 2.025 ( -4.232 0.000 20.225) 20.663 2.110 ( -1.231 0.000 -11.686) 11.750 2.270 ( 1.047 0.000 -8.385) 8.450 2.811 ( -2.201 0.000 -5.627) 6.042 2.838 ( -0.862 0.000 15.066) 15.091 2.994 ( 4.397 0.000 -6.582) 7.916 3.214 ( 1.318 0.000 15.643) 15.698 3.217 ( 0.354 0.000 -0.707) 0.790 3.570 ( -3.395 0.000 17.813) 18.134 3.782 ( -0.902 0.000 5.241) 5.318 3.925 ( 0.480 0.000 0.691) 0.841 4.200 ( -0.008 0.000 -1.658) 1.658 4.734 ( 4.482 0.000 -7.522) 8.756 4.839 ( -0.099 0.000 -4.141) 4.142 5.298 ( -6.688 0.000 13.442) 15.014 5.377 ( -2.724 0.000 9.944) 10.310 5.735 ( -1.923 0.000 12.004) 12.157 5.992 ( -2.741 0.000 -14.554) 14.810 6.321 ( 2.175 0.000 3.928) 4.489 6.404 ( 0.696 0.000 -10.809) 10.832 6.501 ( -2.019 0.000 -0.596) 2.105 6.568 ( -4.123 0.000 -1.936) 4.555 6.664 ( -3.366 0.000 -6.433) 7.260 6.752 ( 0.809 0.000 -0.172) 0.827 6.949 ( -1.265 0.000 8.332) 8.428 7.110 ( -0.037 0.000 3.694) 3.694 7.126 ( -4.895 0.000 -1.217) 5.044 7.245 ( -0.436 0.000 2.214) 2.257 7.317 ( 0.212 0.000 -2.934) 2.942 7.319 ( 5.311 0.000 5.198) 7.432 7.500 ( -5.171 0.000 -2.063) 5.567 7.539 ( 6.124 0.000 6.891) 9.219 7.676 ( 1.157 0.000 0.197) 1.174 7.799 ( -4.281 0.000 -7.895) 8.981 7.974 ( -1.193 0.000 4.983) 5.124 8.054 ( 3.926 0.000 3.336) 5.152 8.145 ( 0.246 0.000 0.967) 0.998 8.478 ( 1.440 0.000 -3.984) 4.236 8.501 ( 1.111 0.000 -5.045) 5.166 8.625 ( -1.958 0.000 -2.892) 3.493 8.802 ( 1.645 0.000 -2.207) 2.752 8.901 ( 0.210 0.000 7.300) 7.303 9.075 ( 2.948 0.000 -6.603) 7.231 9.101 ( -6.489 0.000 1.273) 6.613 9.500 ( -3.369 0.000 11.766) 12.239 9.803 ( -2.440 0.000 12.655) 12.889 9.962 ( -0.695 0.000 -0.055) 0.698 9.969 ( -5.562 0.000 5.102) 7.547 10.079 ( 2.230 0.000 -0.321) 2.253 10.445 ( -3.522 0.000 4.594) 5.789 10.492 ( 2.089 0.000 -0.747) 2.218 10.696 ( -39.716 0.000 -0.209) 39.716 10.927 ( -0.611 0.000 3.202) 3.260 11.324 ( 0.176 0.000 1.208) 1.221 11.762 ( -0.349 0.000 -3.150) 3.169 11.986 ( 0.095 0.000 3.133) 3.135 12.080 ( -46.641 0.000 -1.761) 46.674 12.226 ( -2.036 0.000 2.191) 2.991 12.464 ( -3.033 0.000 0.726) 3.119 13.224 ( 63.228 0.000 -8.487) 63.795 16.429 ( -1.111 0.000 4.025) 4.175 16.902 ( -0.730 0.000 2.209) 2.326 17.051 ( 2.326 0.000 -4.774) 5.310 17.304 ( -1.140 0.000 6.435) 6.535 17.565 ( -3.281 0.000 3.843) 5.053 17.616 ( 4.364 0.000 -8.367) 9.437 17.950 ( -3.458 0.000 2.613) 4.334 18.098 ( 3.833 0.000 -6.554) 7.592 19.227 ( 4.471 0.000 -0.428) 4.492 19.266 ( -0.762 0.000 0.939) 1.209 19.411 ( -1.017 0.000 -1.353) 1.692 19.819 ( 0.382 0.000 -4.522) 4.538 23.925 ( 0.842 0.000 -0.610) 1.040 24.085 ( 1.025 0.000 -0.866) 1.342 24.354 ( 0.456 0.000 2.181) 2.228 24.624 ( 2.280 0.000 -0.432) 2.321 26.036 ( 1.077 0.000 -0.243) 1.104 26.195 ( -1.731 0.000 -0.604) 1.833 26.868 ( -1.686 0.000 2.117) 2.706 27.398 ( 18.990 0.000 -4.984) 19.633 28.446 ( 0.532 0.000 -3.266) 3.309 28.539 ( 0.574 0.000 -2.346) 2.415 28.576 ( 0.418 0.000 -2.752) 2.784 28.667 ( 1.168 0.000 -4.152) 4.313 35.084 ( -2.807 0.000 10.967) 11.321 35.625 ( -2.837 0.000 9.969) 10.365 35.830 ( -2.878 0.000 9.891) 10.301 37.897 ( -55.176 0.000 -12.559) 56.588 38.650 ( -10.580 0.000 5.984) 12.155 38.680 ( 17.981 0.000 5.944) 18.938 38.885 ( 0.824 0.000 0.516) 0.973 41.323 ( 2.166 0.000 -17.427) 17.561 ======================= Grid point 46 (17/111) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 12.006 0.000 17.979) 21.619 0.807 ( 22.546 0.000 14.312) 26.704 1.325 ( -6.237 0.000 55.912) 56.259 1.923 ( -0.809 0.000 3.054) 3.159 2.039 ( -5.659 0.000 21.948) 22.666 2.073 ( 4.334 0.000 -11.772) 12.544 2.258 ( 2.173 0.000 -7.480) 7.789 2.718 ( -3.358 0.000 -5.933) 6.818 2.913 ( 0.948 0.000 14.987) 15.017 3.037 ( 2.589 0.000 -5.482) 6.062 3.257 ( 3.158 0.000 0.238) 3.167 3.351 ( 3.173 0.000 16.542) 16.844 3.594 ( -3.498 0.000 17.649) 17.992 3.777 ( -1.918 0.000 3.494) 3.986 3.968 ( 2.368 0.000 4.976) 5.511 4.222 ( 3.192 0.000 -1.283) 3.441 4.780 ( -3.080 0.000 -6.010) 6.754 4.801 ( 6.224 0.000 -9.153) 11.069 5.241 ( -5.934 0.000 13.092) 14.374 5.399 ( -0.032 0.000 9.758) 9.758 5.767 ( -1.462 0.000 13.121) 13.202 5.869 ( -2.283 0.000 -13.022) 13.221 6.337 ( -2.599 0.000 0.284) 2.614 6.359 ( 0.582 0.000 -14.402) 14.414 6.443 ( -2.639 0.000 -0.008) 2.639 6.477 ( -2.788 0.000 -3.900) 4.794 6.582 ( -1.715 0.000 -6.142) 6.377 6.780 ( 1.998 0.000 -0.010) 1.998 6.931 ( -5.404 0.000 5.777) 7.911 7.011 ( -4.148 0.000 8.057) 9.063 7.112 ( -1.495 0.000 2.967) 3.322 7.246 ( -1.171 0.000 4.423) 4.575 7.268 ( -6.083 0.000 1.146) 6.190 7.377 ( -4.229 0.000 -1.539) 4.501 7.451 ( 3.522 0.000 4.485) 5.703 7.652 ( 0.423 0.000 6.489) 6.503 7.695 ( -1.337 0.000 -6.463) 6.599 7.714 ( 2.233 0.000 -0.975) 2.437 7.964 ( -0.718 0.000 1.618) 1.770 8.092 ( -6.283 0.000 6.715) 9.196 8.161 ( -0.974 0.000 4.161) 4.274 8.358 ( -12.832 0.000 9.757) 16.120 8.456 ( -0.952 0.000 -2.825) 2.981 8.554 ( 2.065 0.000 -2.107) 2.951 8.851 ( 3.899 0.000 -3.938) 5.542 8.945 ( -0.021 0.000 7.881) 7.881 9.006 ( -2.492 0.000 2.744) 3.707 9.084 ( 1.443 0.000 -6.726) 6.879 9.421 ( -9.441 0.000 9.629) 13.485 9.824 ( -2.512 0.000 13.956) 14.180 9.825 ( -22.261 0.000 17.830) 28.521 9.887 ( -4.502 0.000 2.360) 5.083 10.015 ( -6.644 0.000 8.550) 10.828 10.159 ( 5.349 0.000 1.795) 5.642 10.454 ( -1.881 0.000 5.219) 5.547 10.547 ( 3.127 0.000 1.228) 3.360 10.958 ( 1.089 0.000 4.368) 4.502 11.306 ( -2.448 0.000 0.581) 2.516 11.509 ( -13.697 0.000 9.886) 16.892 11.714 ( -2.868 0.000 -4.314) 5.180 12.003 ( -0.120 0.000 3.122) 3.124 12.246 ( 1.534 0.000 2.384) 2.835 12.366 ( -6.291 0.000 -0.748) 6.335 13.884 ( 13.892 0.000 -23.085) 26.943 16.431 ( -1.010 0.000 4.653) 4.761 16.892 ( -1.484 0.000 2.058) 2.537 17.076 ( 2.531 0.000 -3.994) 4.729 17.317 ( -1.129 0.000 6.962) 7.053 17.525 ( -1.057 0.000 1.034) 1.479 17.641 ( 2.384 0.000 -7.472) 7.843 17.900 ( -2.585 0.000 1.388) 2.934 18.190 ( 8.087 0.000 -10.801) 13.493 19.214 ( -1.956 0.000 0.288) 1.977 19.336 ( -4.919 0.000 -2.257) 5.412 19.411 ( 8.994 0.000 -4.631) 10.116 19.843 ( 3.847 0.000 -4.983) 6.295 23.912 ( -1.669 0.000 0.196) 1.681 24.095 ( 0.386 0.000 -0.439) 0.585 24.377 ( 0.479 0.000 2.840) 2.880 24.767 ( 12.257 0.000 -0.222) 12.259 26.094 ( 4.633 0.000 0.883) 4.716 26.156 ( -1.153 0.000 -2.414) 2.675 26.837 ( -2.334 0.000 1.000) 2.539 27.921 ( 29.821 0.000 -33.849) 45.112 28.438 ( 0.455 0.000 -3.581) 3.610 28.536 ( 0.365 0.000 -2.441) 2.468 28.566 ( 0.111 0.000 -3.127) 3.129 28.678 ( 2.151 0.000 -5.911) 6.290 35.086 ( -2.708 0.000 10.865) 11.197 35.611 ( -4.466 0.000 10.674) 11.570 35.823 ( -3.041 0.000 10.121) 10.568 36.315 ( -80.384 0.000 60.255) 100.461 38.617 ( -0.762 0.000 4.145) 4.215 38.894 ( 4.004 0.000 -1.829) 4.402 38.902 ( 0.458 0.000 1.144) 1.232 41.194 ( -5.548 0.000 -18.483) 19.298 ======================= Grid point 47 (18/111) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 11.382 0.000 9.947) 15.116 1.245 ( 9.406 0.000 27.597) 29.155 1.558 ( 8.045 0.000 32.895) 33.865 1.903 ( -3.686 0.000 5.687) 6.777 2.025 ( -6.765 0.000 20.156) 21.261 2.156 ( 9.500 0.000 -10.859) 14.428 2.292 ( 4.759 0.000 -5.070) 6.954 2.643 ( -1.482 0.000 -3.898) 4.170 3.027 ( 3.311 0.000 13.011) 13.426 3.031 ( -0.258 0.000 -5.489) 5.495 3.310 ( 1.563 0.000 0.452) 1.627 3.446 ( -2.745 0.000 16.382) 16.610 3.640 ( 0.335 0.000 14.565) 14.569 3.759 ( -1.647 0.000 4.396) 4.695 4.044 ( 1.558 0.000 7.383) 7.545 4.300 ( 4.727 0.000 -0.543) 4.758 4.673 ( -4.045 0.000 -7.014) 8.097 4.844 ( 2.425 0.000 -9.421) 9.728 5.238 ( -0.082 0.000 13.064) 13.064 5.480 ( 3.337 0.000 9.769) 10.323 5.791 ( 0.206 0.000 -8.603) 8.605 5.803 ( -1.994 0.000 12.894) 13.047 6.238 ( -5.901 0.000 -2.591) 6.444 6.276 ( -1.589 0.000 -11.742) 11.849 6.415 ( -0.909 0.000 1.270) 1.562 6.436 ( 1.540 0.000 -8.473) 8.612 6.546 ( 1.031 0.000 -4.656) 4.769 6.818 ( 1.199 0.000 1.221) 1.711 6.868 ( -3.022 0.000 5.049) 5.885 7.023 ( -0.315 0.000 9.158) 9.163 7.085 ( -2.049 0.000 0.980) 2.272 7.115 ( -10.153 0.000 4.232) 11.000 7.232 ( -3.511 0.000 6.226) 7.148 7.307 ( -2.234 0.000 0.418) 2.272 7.519 ( 1.736 0.000 0.896) 1.954 7.580 ( -6.320 0.000 1.903) 6.600 7.717 ( 1.458 0.000 1.140) 1.851 7.746 ( 1.466 0.000 0.059) 1.467 7.941 ( -9.108 0.000 11.407) 14.597 7.974 ( 1.247 0.000 -1.657) 2.074 8.135 ( -4.021 0.000 6.569) 7.702 8.340 ( 2.412 0.000 2.231) 3.285 8.439 ( 0.393 0.000 -1.579) 1.627 8.600 ( 4.004 0.000 -5.302) 6.644 8.886 ( 1.908 0.000 -4.625) 5.003 8.971 ( -1.543 0.000 7.659) 7.813 9.013 ( 1.814 0.000 -0.557) 1.897 9.064 ( 0.244 0.000 -6.700) 6.705 9.283 ( -8.806 0.000 7.565) 11.609 9.640 ( -8.214 0.000 16.155) 18.124 9.823 ( -3.214 0.000 2.172) 3.879 9.845 ( -2.844 0.000 14.342) 14.622 10.009 ( 0.326 0.000 2.279) 2.302 10.295 ( 7.220 0.000 2.783) 7.738 10.442 ( -1.841 0.000 3.774) 4.199 10.613 ( 2.503 0.000 2.823) 3.773 11.001 ( 0.839 0.000 4.700) 4.774 11.241 ( -4.030 0.000 -1.321) 4.241 11.390 ( -4.845 0.000 5.240) 7.136 11.601 ( -6.023 0.000 -5.656) 8.263 12.011 ( -0.586 0.000 2.785) 2.846 12.249 ( -4.957 0.000 0.063) 4.957 12.304 ( 3.115 0.000 2.592) 4.052 13.830 ( -5.439 0.000 -14.251) 15.253 16.435 ( -1.222 0.000 5.253) 5.393 16.875 ( -1.101 0.000 1.648) 1.982 17.101 ( 1.764 0.000 -3.391) 3.822 17.326 ( -1.601 0.000 6.772) 6.959 17.527 ( 0.762 0.000 -0.368) 0.846 17.641 ( 1.564 0.000 -6.375) 6.564 17.868 ( -1.264 0.000 0.397) 1.325 18.284 ( 7.289 0.000 -10.792) 13.023 19.176 ( -1.970 0.000 0.100) 1.972 19.230 ( -4.506 0.000 -2.154) 4.995 19.524 ( 5.194 0.000 -3.116) 6.056 19.892 ( 3.496 0.000 -5.089) 6.174 23.876 ( -2.132 0.000 0.583) 2.210 24.100 ( 0.523 0.000 -0.494) 0.720 24.392 ( -0.794 0.000 3.065) 3.166 25.054 ( 16.888 0.000 -1.963) 17.001 26.132 ( 0.353 0.000 -3.522) 3.540 26.214 ( 6.767 0.000 1.717) 6.981 26.789 ( -2.883 0.000 0.314) 2.900 28.097 ( 6.922 0.000 -27.168) 28.036 28.430 ( 0.654 0.000 -3.886) 3.940 28.530 ( 0.346 0.000 -2.525) 2.549 28.553 ( 0.619 0.000 -4.155) 4.201 28.674 ( 0.737 0.000 -6.700) 6.740 35.089 ( -2.636 0.000 10.560) 10.884 35.435 ( -29.149 0.000 39.369) 48.985 35.672 ( -11.202 0.000 20.114) 23.023 35.817 ( -3.008 0.000 10.534) 10.955 38.626 ( -0.786 0.000 4.790) 4.854 38.908 ( -0.467 0.000 -2.034) 2.087 38.912 ( -0.092 0.000 0.990) 0.994 40.958 ( -8.342 0.000 -17.386) 19.284 ======================= Grid point 48 (19/111) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 5.773 0.000 4.403) 7.260 1.451 ( -5.468 0.000 44.361) 44.697 1.847 ( -5.144 0.000 7.778) 9.325 1.908 ( 15.220 0.000 5.684) 16.247 1.993 ( -6.612 0.000 18.591) 19.732 2.286 ( 8.577 0.000 -10.236) 13.354 2.375 ( 5.572 0.000 -3.740) 6.711 2.624 ( 0.606 0.000 -1.668) 1.775 2.979 ( -1.631 0.000 -5.713) 5.941 3.159 ( 3.942 0.000 9.003) 9.828 3.313 ( -1.502 0.000 1.414) 2.063 3.449 ( -4.817 0.000 18.047) 18.679 3.715 ( -0.249 0.000 9.663) 9.666 3.762 ( -1.007 0.000 6.193) 6.275 4.079 ( -1.754 0.000 5.832) 6.090 4.363 ( 2.189 0.000 -3.353) 4.004 4.583 ( -1.512 0.000 -4.816) 5.047 4.825 ( 0.278 0.000 -2.999) 3.012 5.362 ( 5.198 0.000 11.285) 12.425 5.612 ( 4.198 0.000 10.364) 11.182 5.789 ( 3.002 0.000 -4.818) 5.677 5.806 ( -3.732 0.000 10.321) 10.975 6.112 ( -5.272 0.000 -2.736) 5.940 6.200 ( -0.798 0.000 -8.229) 8.268 6.416 ( 0.323 0.000 0.937) 0.991 6.447 ( 4.482 0.000 -9.826) 10.800 6.577 ( 3.983 0.000 -2.030) 4.471 6.820 ( -3.734 0.000 9.019) 9.762 6.861 ( 0.866 0.000 -3.322) 3.433 6.949 ( -7.495 0.000 1.841) 7.718 7.056 ( -1.944 0.000 2.435) 3.116 7.087 ( 1.458 0.000 10.654) 10.753 7.172 ( -5.443 0.000 5.759) 7.924 7.298 ( 1.235 0.000 0.598) 1.372 7.465 ( -6.547 0.000 3.433) 7.393 7.524 ( -0.523 0.000 -3.813) 3.849 7.750 ( 0.944 0.000 2.766) 2.922 7.770 ( -0.312 0.000 3.445) 3.460 7.863 ( -4.612 0.000 6.886) 8.288 7.966 ( -1.390 0.000 -0.545) 1.493 8.114 ( -0.662 0.000 4.691) 4.738 8.393 ( 1.807 0.000 0.437) 1.859 8.443 ( 0.748 0.000 -2.599) 2.704 8.644 ( 3.757 0.000 -7.436) 8.331 8.884 ( 0.987 0.000 -5.948) 6.029 8.956 ( -4.125 0.000 7.369) 8.445 9.037 ( 0.730 0.000 -6.685) 6.724 9.049 ( 1.926 0.000 -1.098) 2.217 9.169 ( -5.926 0.000 5.236) 7.908 9.611 ( -4.093 0.000 16.506) 17.006 9.786 ( -1.712 0.000 2.215) 2.799 9.857 ( -3.642 0.000 14.869) 15.308 10.029 ( 0.588 0.000 1.195) 1.332 10.426 ( -1.590 0.000 4.079) 4.378 10.443 ( 5.873 0.000 2.561) 6.407 10.674 ( 2.050 0.000 4.538) 4.979 11.030 ( -0.112 0.000 3.460) 3.462 11.147 ( -3.993 0.000 -3.469) 5.289 11.340 ( -2.934 0.000 3.182) 4.328 11.451 ( -5.726 0.000 -5.540) 7.968 12.011 ( -0.703 0.000 2.454) 2.553 12.183 ( -2.525 0.000 1.358) 2.866 12.386 ( 3.761 0.000 2.174) 4.344 13.622 ( -8.010 0.000 -10.329) 13.071 16.437 ( -1.549 0.000 5.784) 5.988 16.870 ( -0.204 0.000 1.513) 1.527 17.107 ( 0.586 0.000 -2.904) 2.962 17.323 ( -1.978 0.000 5.664) 5.999 17.542 ( 0.912 0.000 -0.523) 1.051 17.640 ( 1.665 0.000 -7.117) 7.309 17.858 ( -0.104 0.000 1.642) 1.646 18.359 ( 5.861 0.000 -10.112) 11.688 19.142 ( -1.500 0.000 -0.008) 1.500 19.152 ( -2.546 0.000 -1.360) 2.886 19.589 ( 2.993 0.000 -1.856) 3.521 19.924 ( 2.425 0.000 -4.481) 5.095 23.840 ( -1.779 0.000 0.233) 1.794 24.114 ( 1.519 0.000 -1.309) 2.005 24.370 ( -3.054 0.000 2.982) 4.269 25.348 ( 14.093 0.000 -4.992) 14.951 26.143 ( 3.022 0.000 -4.371) 5.314 26.353 ( 6.185 0.000 1.577) 6.383 26.736 ( -2.588 0.000 0.748) 2.694 28.000 ( -3.741 0.000 -15.268) 15.720 28.425 ( 0.994 0.000 -4.043) 4.163 28.524 ( 0.459 0.000 -2.570) 2.610 28.549 ( 1.446 0.000 -5.502) 5.689 28.652 ( 0.564 0.000 -5.667) 5.695 35.091 ( -2.633 0.000 10.192) 10.527 35.179 ( -16.638 0.000 33.941) 37.800 35.633 ( -3.889 0.000 11.595) 12.230 35.815 ( -2.860 0.000 10.908) 11.277 38.632 ( -1.447 0.000 5.764) 5.943 38.878 ( -0.838 0.000 -3.579) 3.676 38.908 ( -0.575 0.000 0.084) 0.581 40.736 ( -5.440 0.000 -14.850) 15.815 ======================= Grid point 49 (20/111) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.103 0.000 1.573) 1.576 1.505 ( -12.584 0.000 45.970) 47.661 1.796 ( -4.412 0.000 7.879) 9.030 1.961 ( -6.217 0.000 17.997) 19.041 2.125 ( 5.711 0.000 -6.083) 8.344 2.367 ( 5.185 0.000 -8.375) 9.851 2.448 ( 3.629 0.000 -3.680) 5.168 2.626 ( 0.060 0.000 -1.190) 1.192 2.940 ( 0.807 0.000 -4.824) 4.891 3.193 ( -4.211 0.000 -1.396) 4.436 3.331 ( 2.214 0.000 8.374) 8.662 3.459 ( -4.138 0.000 19.279) 19.718 3.698 ( -5.284 0.000 4.303) 6.815 3.774 ( -1.367 0.000 7.040) 7.171 4.047 ( -2.947 0.000 2.228) 3.694 4.363 ( 1.357 0.000 -6.959) 7.090 4.570 ( 1.106 0.000 -0.569) 1.244 4.839 ( 0.476 0.000 3.038) 3.075 5.497 ( 1.166 0.000 12.669) 12.723 5.683 ( -3.136 0.000 9.490) 9.995 5.801 ( -1.226 0.000 7.533) 7.632 5.860 ( 6.501 0.000 -2.621) 7.010 6.020 ( -2.627 0.000 -2.320) 3.505 6.179 ( 2.463 0.000 -3.383) 4.185 6.438 ( 1.407 0.000 1.465) 2.031 6.510 ( 6.997 0.000 -8.941) 11.353 6.668 ( 4.704 0.000 1.591) 4.966 6.772 ( -7.223 0.000 15.423) 17.031 6.806 ( -1.665 0.000 -9.993) 10.130 6.898 ( -0.155 0.000 0.622) 0.640 7.025 ( -3.272 0.000 5.908) 6.754 7.094 ( -4.617 0.000 2.876) 5.440 7.191 ( 3.565 0.000 11.380) 11.925 7.374 ( -4.557 0.000 3.008) 5.460 7.375 ( 5.873 0.000 1.487) 6.059 7.467 ( -2.035 0.000 -6.032) 6.366 7.749 ( -3.923 0.000 4.173) 5.727 7.766 ( -2.472 0.000 6.707) 7.148 7.834 ( -0.362 0.000 3.002) 3.024 7.948 ( -0.760 0.000 2.576) 2.686 8.142 ( 1.740 0.000 0.915) 1.966 8.402 ( -0.925 0.000 -0.684) 1.150 8.425 ( -1.142 0.000 -4.825) 4.958 8.669 ( 3.420 0.000 -9.282) 9.892 8.872 ( 0.576 0.000 -5.242) 5.273 8.902 ( -4.379 0.000 6.325) 7.693 9.023 ( 0.976 0.000 -6.209) 6.285 9.054 ( -2.057 0.000 5.123) 5.521 9.137 ( 1.827 0.000 -2.966) 3.484 9.633 ( -3.234 0.000 19.052) 19.325 9.781 ( -0.246 0.000 3.048) 3.058 9.855 ( -4.206 0.000 14.316) 14.921 10.038 ( -0.228 0.000 0.477) 0.529 10.431 ( -0.415 0.000 5.928) 5.942 10.519 ( 1.117 0.000 0.730) 1.335 10.723 ( -0.793 0.000 4.619) 4.686 11.030 ( -1.264 0.000 1.380) 1.872 11.092 ( 1.004 0.000 -2.032) 2.266 11.301 ( -2.442 0.000 1.389) 2.810 11.351 ( -1.392 0.000 -4.745) 4.945 12.010 ( -0.670 0.000 2.374) 2.467 12.160 ( -0.815 0.000 2.115) 2.267 12.446 ( 0.998 0.000 0.790) 1.273 13.474 ( -1.397 0.000 -7.528) 7.657 16.435 ( -1.676 0.000 5.965) 6.196 16.880 ( 0.199 0.000 1.957) 1.967 17.099 ( 0.194 0.000 -2.718) 2.725 17.309 ( -1.971 0.000 4.203) 4.642 17.553 ( 0.424 0.000 -0.540) 0.686 17.621 ( 0.360 0.000 -8.231) 8.239 17.886 ( 1.537 0.000 3.484) 3.808 18.404 ( 3.910 0.000 -9.404) 10.184 19.121 ( -0.214 0.000 -0.338) 0.399 19.121 ( -0.592 0.000 -0.176) 0.618 19.622 ( 1.250 0.000 -1.350) 1.840 19.945 ( 2.002 0.000 -3.420) 3.963 23.811 ( -1.100 0.000 -0.527) 1.219 24.144 ( 2.347 0.000 -2.488) 3.420 24.309 ( -4.423 0.000 2.481) 5.071 25.500 ( 4.596 0.000 -8.312) 9.498 26.194 ( 4.119 0.000 -5.380) 6.776 26.433 ( 1.071 0.000 -1.207) 1.614 26.720 ( 0.283 0.000 4.008) 4.018 27.880 ( -1.029 0.000 -6.834) 6.911 28.427 ( 1.263 0.000 -3.976) 4.172 28.522 ( 0.598 0.000 -2.588) 2.656 28.550 ( 1.624 0.000 -6.119) 6.331 28.641 ( 1.184 0.000 -5.210) 5.343 35.091 ( -2.679 0.000 9.933) 10.288 35.104 ( -8.674 0.000 30.096) 31.321 35.621 ( -3.242 0.000 10.753) 11.232 35.817 ( -2.726 0.000 11.035) 11.366 38.629 ( -1.921 0.000 6.170) 6.462 38.849 ( 0.264 0.000 -5.021) 5.028 38.892 ( -0.688 0.000 -1.175) 1.362 40.623 ( 1.212 0.000 -12.031) 12.092 ======================= Grid point 50 (21/111) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -3.083 0.000 -0.051) 3.084 1.438 ( -18.022 0.000 44.726) 48.220 1.746 ( -4.461 0.000 6.970) 8.276 1.943 ( -5.167 0.000 18.592) 19.297 2.033 ( -10.610 0.000 -8.378) 13.519 2.408 ( 2.492 0.000 -7.185) 7.605 2.470 ( 0.830 0.000 -4.719) 4.791 2.638 ( 2.304 0.000 -1.811) 2.931 2.953 ( 2.381 0.000 -3.770) 4.459 3.051 ( -8.398 0.000 -1.560) 8.541 3.412 ( 1.463 0.000 6.093) 6.266 3.457 ( -6.790 0.000 15.548) 16.966 3.591 ( -5.694 0.000 3.270) 6.566 3.778 ( -1.958 0.000 7.282) 7.541 4.007 ( -1.864 0.000 0.697) 1.990 4.360 ( 1.865 0.000 -7.306) 7.540 4.603 ( 2.125 0.000 0.722) 2.244 4.846 ( -1.716 0.000 3.219) 3.648 5.516 ( -5.593 0.000 13.845) 14.932 5.636 ( -5.405 0.000 7.039) 8.874 5.784 ( -4.003 0.000 6.648) 7.760 5.964 ( -0.894 0.000 8.453) 8.500 6.037 ( 10.307 0.000 -9.095) 13.746 6.268 ( 6.157 0.000 2.139) 6.517 6.483 ( 1.723 0.000 3.199) 3.633 6.623 ( 8.692 0.000 -7.072) 11.205 6.723 ( -1.965 0.000 -8.292) 8.521 6.733 ( -0.081 0.000 4.103) 4.104 6.738 ( -3.885 0.000 14.695) 15.200 6.891 ( -0.902 0.000 -0.463) 1.014 6.999 ( -3.929 0.000 9.897) 10.649 7.046 ( 0.139 0.000 -1.827) 1.833 7.319 ( -3.450 0.000 9.485) 10.093 7.334 ( 5.959 0.000 3.418) 6.870 7.371 ( -2.997 0.000 -3.205) 4.388 7.552 ( 8.864 0.000 -0.206) 8.866 7.680 ( -4.282 0.000 3.878) 5.777 7.742 ( -2.406 0.000 6.030) 6.492 7.869 ( 1.323 0.000 5.261) 5.425 7.952 ( -0.262 0.000 2.470) 2.484 8.181 ( 1.630 0.000 0.427) 1.686 8.343 ( -4.060 0.000 -6.205) 7.415 8.355 ( -2.880 0.000 -2.412) 3.757 8.683 ( 2.657 0.000 -9.039) 9.421 8.843 ( -1.400 0.000 -2.331) 2.719 8.867 ( -2.143 0.000 4.676) 5.144 9.008 ( 0.849 0.000 -6.201) 6.258 9.065 ( 0.335 0.000 5.732) 5.741 9.166 ( 3.114 0.000 -6.076) 6.827 9.683 ( -2.255 0.000 22.505) 22.618 9.804 ( 0.393 0.000 4.245) 4.263 9.845 ( -3.601 0.000 12.763) 13.261 10.029 ( -0.883 0.000 0.992) 1.328 10.465 ( 0.042 0.000 7.826) 7.826 10.504 ( -2.462 0.000 -0.921) 2.629 10.675 ( -4.940 0.000 2.509) 5.540 10.998 ( -2.100 0.000 -0.302) 2.122 11.138 ( 2.577 0.000 -0.974) 2.755 11.261 ( -1.859 0.000 -0.808) 2.027 11.383 ( 6.887 0.000 -1.454) 7.038 12.006 ( -1.106 0.000 2.223) 2.483 12.176 ( 1.296 0.000 2.966) 3.236 12.419 ( -3.481 0.000 -0.575) 3.528 13.511 ( 8.220 0.000 -5.938) 10.141 16.434 ( -1.560 0.000 5.778) 5.985 16.894 ( 0.005 0.000 2.660) 2.660 17.087 ( 0.127 0.000 -3.427) 3.429 17.297 ( -1.217 0.000 3.714) 3.908 17.552 ( -0.174 0.000 -0.592) 0.618 17.574 ( -0.672 0.000 -8.186) 8.214 17.942 ( 2.020 0.000 3.906) 4.397 18.410 ( 1.530 0.000 -9.243) 9.369 19.120 ( 0.598 0.000 -0.281) 0.660 19.139 ( 2.057 0.000 0.519) 2.121 19.623 ( -0.354 0.000 -1.399) 1.443 19.966 ( 1.670 0.000 -2.544) 3.043 23.794 ( -0.080 0.000 -1.231) 1.233 24.158 ( -0.552 0.000 -2.432) 2.494 24.254 ( -0.889 0.000 0.783) 1.184 25.439 ( -5.544 0.000 -10.946) 12.270 26.222 ( 1.143 0.000 -3.625) 3.801 26.385 ( -4.078 0.000 -3.329) 5.264 26.778 ( 2.019 0.000 6.524) 6.830 27.922 ( 8.463 0.000 -6.891) 10.913 28.433 ( 1.366 0.000 -3.692) 3.937 28.521 ( 0.745 0.000 -2.585) 2.690 28.548 ( 1.450 0.000 -6.073) 6.244 28.644 ( 1.848 0.000 -5.281) 5.595 35.089 ( -2.738 0.000 9.907) 10.278 35.140 ( -4.295 0.000 33.920) 34.191 35.616 ( -2.873 0.000 10.674) 11.054 35.821 ( -2.620 0.000 10.871) 11.182 38.621 ( -1.896 0.000 5.203) 5.538 38.842 ( 1.705 0.000 -4.829) 5.121 38.873 ( -0.334 0.000 -2.141) 2.167 40.664 ( 8.743 0.000 -10.091) 13.351 ======================= Grid point 51 (22/111) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -10.894 0.000 0.071) 10.894 1.281 ( -20.533 0.000 40.796) 45.672 1.685 ( -21.860 0.000 0.130) 21.861 1.725 ( -0.725 0.000 6.658) 6.698 1.953 ( -3.647 0.000 18.580) 18.934 2.385 ( -0.631 0.000 -7.984) 8.009 2.434 ( -1.276 0.000 -7.288) 7.399 2.678 ( 2.574 0.000 -1.502) 2.980 2.891 ( -7.602 0.000 2.423) 7.979 2.985 ( 2.935 0.000 -4.968) 5.770 3.340 ( -8.735 0.000 5.328) 10.231 3.430 ( -2.372 0.000 3.339) 4.096 3.556 ( -3.450 0.000 12.566) 13.031 3.777 ( -1.689 0.000 6.637) 6.849 3.975 ( -1.852 0.000 0.326) 1.880 4.346 ( 0.115 0.000 -6.572) 6.573 4.662 ( 3.979 0.000 -0.099) 3.980 4.805 ( -3.000 0.000 -0.335) 3.019 5.457 ( -7.342 0.000 15.059) 16.753 5.548 ( -7.015 0.000 6.694) 9.696 5.749 ( -3.176 0.000 7.644) 8.277 5.988 ( 0.287 0.000 6.487) 6.494 6.219 ( 10.352 0.000 -3.232) 10.845 6.397 ( 4.888 0.000 3.825) 6.207 6.493 ( -3.441 0.000 0.878) 3.552 6.690 ( 2.482 0.000 0.624) 2.559 6.695 ( -1.724 0.000 -1.095) 2.042 6.767 ( -0.263 0.000 10.063) 10.066 6.777 ( 6.383 0.000 0.072) 6.383 6.860 ( -2.078 0.000 1.086) 2.345 6.987 ( -1.523 0.000 8.580) 8.714 7.046 ( -0.608 0.000 -2.294) 2.374 7.305 ( -0.656 0.000 3.209) 3.275 7.325 ( 0.266 0.000 -3.527) 3.537 7.460 ( 3.913 0.000 2.222) 4.499 7.577 ( -4.042 0.000 3.897) 5.615 7.755 ( 6.418 0.000 2.769) 6.990 7.760 ( 0.929 0.000 8.472) 8.523 7.933 ( 1.775 0.000 8.176) 8.367 7.959 ( -0.221 0.000 -0.660) 0.696 8.194 ( -0.756 0.000 2.543) 2.653 8.247 ( -1.137 0.000 -6.116) 6.221 8.281 ( -3.139 0.000 -1.454) 3.460 8.666 ( -0.344 0.000 -7.279) 7.287 8.813 ( -0.418 0.000 -1.528) 1.584 8.861 ( -0.629 0.000 2.754) 2.825 8.998 ( 1.512 0.000 -6.072) 6.257 9.102 ( -0.421 0.000 7.553) 7.565 9.200 ( 4.148 0.000 -6.285) 7.531 9.786 ( 0.360 0.000 26.218) 26.220 9.808 ( -3.214 0.000 9.250) 9.792 9.875 ( 1.076 0.000 7.100) 7.181 10.021 ( -1.100 0.000 4.344) 4.481 10.416 ( -6.182 0.000 -0.564) 6.207 10.499 ( -1.239 0.000 8.660) 8.749 10.593 ( -4.078 0.000 0.537) 4.113 10.954 ( -1.911 0.000 -0.910) 2.117 11.174 ( 2.690 0.000 -2.226) 3.492 11.223 ( -1.073 0.000 -2.859) 3.054 11.554 ( 9.136 0.000 1.010) 9.192 11.991 ( -1.402 0.000 1.764) 2.253 12.243 ( 3.782 0.000 4.410) 5.810 12.335 ( -4.303 0.000 -0.563) 4.340 13.682 ( 11.778 0.000 -8.413) 14.474 16.433 ( -1.383 0.000 5.308) 5.485 16.906 ( -0.359 0.000 3.190) 3.210 17.067 ( 0.023 0.000 -4.777) 4.777 17.302 ( -0.663 0.000 4.774) 4.820 17.526 ( 0.409 0.000 -8.432) 8.442 17.542 ( -0.502 0.000 -0.405) 0.645 17.992 ( 1.017 0.000 3.724) 3.860 18.368 ( -0.801 0.000 -9.894) 9.926 19.140 ( 1.643 0.000 -0.397) 1.691 19.201 ( 3.875 0.000 0.933) 3.986 19.593 ( -1.891 0.000 -2.157) 2.869 19.976 ( 0.330 0.000 -2.345) 2.369 23.798 ( 1.294 0.000 -1.530) 2.004 24.109 ( -2.486 0.000 -1.111) 2.723 24.278 ( 2.369 0.000 -1.243) 2.675 25.203 ( -12.096 0.000 -10.918) 16.295 26.219 ( -0.034 0.000 -0.467) 0.468 26.268 ( -5.783 0.000 -3.326) 6.671 26.841 ( 0.856 0.000 6.484) 6.540 28.071 ( 11.160 0.000 -17.899) 21.093 28.441 ( 1.287 0.000 -3.321) 3.562 28.524 ( 0.919 0.000 -2.529) 2.691 28.548 ( 1.477 0.000 -4.788) 5.011 28.659 ( 2.688 0.000 -6.017) 6.590 35.086 ( -2.800 0.000 10.129) 10.509 35.303 ( 0.936 0.000 47.199) 47.209 35.620 ( -2.468 0.000 11.594) 11.854 35.826 ( -2.513 0.000 10.532) 10.828 38.609 ( -1.542 0.000 3.108) 3.470 38.860 ( 0.221 0.000 -2.332) 2.343 38.867 ( 2.885 0.000 -2.862) 4.064 40.842 ( 14.337 0.000 -9.875) 17.409 ======================= Grid point 52 (23/111) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -18.397 0.000 4.509) 18.941 1.015 ( -23.854 0.000 11.461) 26.464 1.302 ( -23.470 0.000 38.282) 44.904 1.780 ( 2.355 0.000 6.594) 7.001 1.981 ( -3.032 0.000 17.042) 17.309 2.310 ( -2.554 0.000 -8.882) 9.242 2.362 ( -1.365 0.000 -9.276) 9.376 2.731 ( 3.853 0.000 -1.266) 4.055 2.801 ( -4.517 0.000 8.106) 9.280 2.997 ( 1.246 0.000 -6.605) 6.722 3.224 ( -5.937 0.000 5.596) 8.158 3.360 ( -5.548 0.000 1.303) 5.699 3.555 ( -4.168 0.000 15.310) 15.867 3.779 ( -1.396 0.000 5.115) 5.302 3.944 ( -1.362 0.000 0.241) 1.383 4.296 ( -2.110 0.000 -4.655) 5.111 4.745 ( -1.547 0.000 -4.369) 4.634 4.749 ( 4.968 0.000 -1.103) 5.089 5.402 ( -6.386 0.000 15.419) 16.689 5.455 ( -6.109 0.000 7.922) 10.004 5.731 ( -3.225 0.000 9.152) 9.704 6.043 ( 2.475 0.000 4.115) 4.802 6.365 ( -0.630 0.000 -5.075) 5.114 6.399 ( 1.774 0.000 2.343) 2.939 6.469 ( 1.169 0.000 -0.132) 1.177 6.652 ( -1.926 0.000 1.423) 2.395 6.775 ( -0.275 0.000 -0.244) 0.368 6.820 ( 5.576 0.000 10.533) 11.918 6.858 ( 0.055 0.000 -1.835) 1.836 6.863 ( -0.211 0.000 10.224) 10.226 7.017 ( 1.533 0.000 -3.045) 3.409 7.039 ( 2.178 0.000 8.803) 9.068 7.323 ( 0.720 0.000 -4.832) 4.886 7.329 ( 1.716 0.000 2.530) 3.057 7.481 ( -0.484 0.000 -6.108) 6.128 7.540 ( -2.248 0.000 6.690) 7.057 7.833 ( -1.575 0.000 2.109) 2.632 7.855 ( 3.350 0.000 8.708) 9.330 7.905 ( -1.649 0.000 -2.149) 2.709 7.991 ( 0.120 0.000 -0.597) 0.608 8.205 ( -1.168 0.000 -1.324) 1.766 8.276 ( 7.051 0.000 0.285) 7.056 8.281 ( 2.631 0.000 12.849) 13.116 8.608 ( -1.836 0.000 -5.281) 5.591 8.805 ( 0.238 0.000 -1.839) 1.855 8.865 ( -0.384 0.000 2.504) 2.533 9.009 ( 2.865 0.000 -6.083) 6.724 9.132 ( -0.338 0.000 8.708) 8.715 9.274 ( 5.172 0.000 1.201) 5.309 9.794 ( -3.180 0.000 10.163) 10.649 9.935 ( 1.453 0.000 6.030) 6.203 9.941 ( 2.380 0.000 10.457) 10.724 10.101 ( 5.253 0.000 37.072) 37.443 10.275 ( -8.045 0.000 0.598) 8.067 10.501 ( -2.948 0.000 8.861) 9.338 10.525 ( -2.537 0.000 -1.895) 3.167 10.922 ( -1.055 0.000 -0.152) 1.066 11.184 ( -1.281 0.000 -4.809) 4.976 11.228 ( 3.607 0.000 -1.124) 3.779 11.701 ( 5.458 0.000 -0.164) 5.461 11.974 ( -1.040 0.000 1.685) 1.980 12.262 ( -2.984 0.000 0.056) 2.984 12.358 ( 5.072 0.000 5.149) 7.227 13.814 ( 6.706 0.000 -18.314) 19.503 16.433 ( -1.247 0.000 4.629) 4.794 16.912 ( -0.678 0.000 3.140) 3.213 17.046 ( 0.629 0.000 -5.569) 5.605 17.307 ( -1.740 0.000 5.642) 5.904 17.520 ( 3.578 0.000 -8.633) 9.345 17.534 ( -0.264 0.000 0.843) 0.884 18.013 ( -0.788 0.000 3.426) 3.515 18.284 ( -2.211 0.000 -10.988) 11.208 19.174 ( 1.988 0.000 -0.950) 2.203 19.291 ( 4.816 0.000 0.729) 4.870 19.525 ( -3.785 0.000 -4.262) 5.700 19.947 ( -2.021 0.000 -2.863) 3.505 23.830 ( 2.758 0.000 -1.342) 3.067 24.071 ( -0.706 0.000 -1.080) 1.290 24.314 ( 1.742 0.000 -0.696) 1.876 24.908 ( -12.521 0.000 -7.898) 14.804 26.144 ( -5.175 0.000 -2.577) 5.781 26.217 ( -0.275 0.000 0.768) 0.816 26.874 ( -0.422 0.000 5.267) 5.284 28.077 ( 1.625 0.000 -37.062) 37.097 28.447 ( 1.067 0.000 -3.080) 3.259 28.531 ( 1.007 0.000 -2.409) 2.611 28.560 ( 1.680 0.000 -2.661) 3.147 28.681 ( 2.705 0.000 -7.403) 7.882 35.084 ( -2.853 0.000 10.491) 10.872 35.603 ( -0.375 0.000 15.503) 15.508 35.782 ( 15.269 0.000 72.498) 74.089 35.831 ( -2.481 0.000 10.176) 10.474 38.595 ( -1.042 0.000 1.299) 1.665 38.859 ( 0.671 0.000 -1.714) 1.841 38.918 ( 3.034 0.000 -1.019) 3.200 41.084 ( 15.421 0.000 -11.607) 19.301 ======================= Grid point 53 (24/111) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -26.079 0.000 4.203) 26.415 0.593 ( -17.972 0.000 15.423) 23.682 1.178 ( -16.887 0.000 58.261) 60.659 1.859 ( 2.087 0.000 5.848) 6.210 2.005 ( -3.404 0.000 16.759) 17.102 2.207 ( -2.769 0.000 -10.240) 10.608 2.301 ( 0.079 0.000 -9.030) 9.031 2.793 ( -2.002 0.000 12.503) 12.662 2.807 ( 4.062 0.000 -1.620) 4.373 2.979 ( 1.060 0.000 -7.766) 7.838 3.170 ( -3.401 0.000 9.816) 10.388 3.260 ( -4.259 0.000 -0.290) 4.269 3.554 ( -4.158 0.000 16.728) 17.237 3.775 ( -1.378 0.000 4.990) 5.177 3.927 ( -0.476 0.000 -0.177) 0.508 4.233 ( -2.162 0.000 -2.475) 3.287 4.714 ( 1.374 0.000 -6.680) 6.820 4.824 ( 3.244 0.000 -2.362) 4.013 5.356 ( -6.494 0.000 14.316) 15.720 5.398 ( -4.443 0.000 9.342) 10.345 5.722 ( -2.744 0.000 10.605) 10.954 6.087 ( 0.826 0.000 -8.013) 8.056 6.275 ( -1.912 0.000 3.345) 3.853 6.449 ( -0.566 0.000 -6.625) 6.649 6.496 ( 2.860 0.000 0.635) 2.930 6.629 ( -2.229 0.000 2.097) 3.061 6.753 ( -0.646 0.000 -0.755) 0.994 6.774 ( -4.456 0.000 -6.071) 7.531 6.915 ( -0.129 0.000 9.851) 9.852 7.034 ( 9.084 0.000 10.803) 14.115 7.071 ( 2.836 0.000 1.124) 3.050 7.156 ( 4.682 0.000 9.437) 10.534 7.291 ( -0.889 0.000 -4.655) 4.739 7.385 ( -0.157 0.000 -5.704) 5.706 7.412 ( 0.537 0.000 1.512) 1.604 7.550 ( -0.736 0.000 4.904) 4.959 7.724 ( -5.331 0.000 -3.328) 6.284 7.920 ( -3.532 0.000 -8.468) 9.175 7.940 ( 1.410 0.000 5.861) 6.028 7.958 ( 3.561 0.000 5.567) 6.609 8.164 ( -1.717 0.000 -1.565) 2.323 8.417 ( 6.426 0.000 -1.714) 6.651 8.467 ( 6.304 0.000 4.710) 7.869 8.572 ( 1.974 0.000 -1.668) 2.584 8.801 ( 0.340 0.000 -2.069) 2.097 8.873 ( -0.453 0.000 4.636) 4.658 9.042 ( 3.612 0.000 -6.323) 7.282 9.161 ( -0.692 0.000 2.346) 2.446 9.418 ( 4.435 0.000 13.679) 14.380 9.792 ( -2.719 0.000 11.248) 11.572 9.970 ( -0.248 0.000 0.859) 0.894 9.986 ( 0.373 0.000 6.323) 6.334 10.129 ( -6.534 0.000 -0.312) 6.541 10.465 ( -2.182 0.000 6.539) 6.893 10.483 ( -0.410 0.000 -2.289) 2.326 10.868 ( 18.158 0.000 23.470) 29.674 10.985 ( 37.081 0.000 56.844) 67.869 11.106 ( -2.413 0.000 -3.823) 4.521 11.290 ( 2.699 0.000 0.448) 2.736 11.763 ( 1.773 0.000 -1.945) 2.632 11.972 ( -0.262 0.000 2.464) 2.478 12.222 ( -1.430 0.000 0.613) 1.556 12.459 ( 2.321 0.000 3.517) 4.214 13.599 ( -20.624 0.000 -40.422) 45.379 16.432 ( -1.154 0.000 3.853) 4.022 16.909 ( -1.079 0.000 2.413) 2.643 17.039 ( 1.568 0.000 -5.465) 5.685 17.300 ( -1.724 0.000 5.815) 6.065 17.550 ( 0.760 0.000 4.286) 4.353 17.565 ( 5.103 0.000 -8.405) 9.833 17.997 ( -2.617 0.000 3.124) 4.075 18.174 ( -3.448 0.000 -11.315) 11.829 19.198 ( 1.130 0.000 -2.285) 2.549 19.381 ( 3.870 0.000 -0.106) 3.871 19.389 ( -7.719 0.000 -5.389) 9.414 19.875 ( -3.172 0.000 -3.760) 4.919 23.885 ( 3.227 0.000 -0.946) 3.363 24.069 ( 0.877 0.000 -1.095) 1.403 24.337 ( 0.686 0.000 0.796) 1.051 24.681 ( -7.075 0.000 -3.438) 7.866 26.056 ( -2.607 0.000 -1.462) 2.989 26.213 ( -0.590 0.000 0.793) 0.988 26.881 ( -1.157 0.000 3.613) 3.794 27.684 ( -20.792 0.000 -40.343) 45.386 28.450 ( 0.787 0.000 -3.072) 3.172 28.537 ( 0.863 0.000 -2.320) 2.475 28.575 ( 1.084 0.000 -2.448) 2.677 28.678 ( 0.729 0.000 -5.942) 5.987 35.083 ( -2.864 0.000 10.821) 11.194 35.623 ( -2.316 0.000 10.173) 10.433 35.833 ( -2.624 0.000 9.927) 10.268 36.969 ( 65.251 0.000 85.730) 107.737 38.584 ( -0.568 0.000 0.703) 0.904 38.868 ( 0.892 0.000 -0.600) 1.075 38.936 ( -2.595 0.000 -4.007) 4.774 41.278 ( 10.730 0.000 -14.630) 18.143 ======================= Grid point 54 (25/111) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.778 20.477 9.761) 22.698 0.885 ( 2.051 25.782 19.145) 32.178 1.392 ( -9.190 19.371 46.481) 51.188 1.749 ( 0.021 -14.119 1.552) 14.204 1.931 ( -4.377 -9.349 22.811) 25.038 2.186 ( -0.569 5.706 -11.548) 12.894 2.257 ( 0.948 -1.227 -9.131) 9.261 2.749 ( 1.534 -7.987 4.688) 9.387 2.857 ( -2.604 3.203 -4.352) 5.999 3.029 ( 0.181 -0.292 7.150) 7.158 3.133 ( 2.260 -1.306 8.650) 9.035 3.268 ( 1.656 0.911 4.770) 5.131 3.572 ( -3.018 0.527 15.904) 16.196 3.754 ( -1.096 -2.802 5.961) 6.677 3.959 ( 0.353 3.318 0.967) 3.474 4.175 ( 0.176 -2.426 -0.609) 2.508 4.733 ( 4.213 0.246 -7.291) 8.424 4.842 ( 0.875 -0.233 -5.496) 5.570 5.260 ( -6.055 -2.350 13.795) 15.247 5.372 ( -3.371 -1.504 9.402) 10.101 5.805 ( -2.485 7.355 11.720) 14.059 6.004 ( -3.167 1.234 -13.204) 13.635 6.217 ( 0.952 -6.581 1.871) 6.908 6.435 ( -0.217 0.599 -9.052) 9.074 6.489 ( -2.386 -1.026 -1.308) 2.908 6.562 ( -0.782 -5.473 0.008) 5.529 6.666 ( -4.283 2.408 0.682) 4.960 6.813 ( 1.065 6.170 -0.822) 6.315 6.933 ( -3.676 -7.478 7.794) 11.410 6.989 ( -1.450 0.538 8.136) 8.281 7.118 ( -1.091 -0.663 5.125) 5.282 7.202 ( -1.386 -3.865 0.297) 4.117 7.247 ( -1.354 -2.912 1.151) 3.411 7.320 ( 3.757 -2.578 0.229) 4.562 7.474 ( -2.847 -2.732 0.578) 3.988 7.504 ( 5.332 -3.614 5.636) 8.559 7.695 ( -1.462 2.511 -6.443) 7.068 7.791 ( -4.179 -1.042 -8.035) 9.117 7.989 ( -0.109 1.810 5.151) 5.461 8.079 ( 3.971 1.321 1.831) 4.568 8.173 ( 0.160 2.867 2.568) 3.852 8.421 ( -0.205 -4.137 0.313) 4.154 8.547 ( 1.969 4.007 -5.231) 6.878 8.686 ( -0.109 3.544 -7.456) 8.256 8.810 ( 3.121 1.564 -2.674) 4.397 8.915 ( 0.123 1.147 6.829) 6.926 9.057 ( 2.230 -1.612 -5.530) 6.177 9.092 ( -4.174 -1.022 -0.139) 4.300 9.458 ( -3.966 -3.754 13.221) 14.304 9.655 ( -5.982 -13.189 18.913) 23.820 9.970 ( -4.473 0.109 5.979) 7.468 10.030 ( -2.364 2.379 5.477) 6.422 10.119 ( 1.652 5.476 -0.185) 5.722 10.298 ( -26.118 -19.216 22.297) 39.352 10.402 ( -0.957 -4.921 4.031) 6.433 10.480 ( 0.971 -1.985 1.248) 2.538 10.930 ( 0.404 0.411 3.167) 3.219 11.100 ( 6.008 -8.492 7.446) 12.793 11.785 ( -1.069 2.101 -2.535) 3.462 11.896 ( -4.393 -2.470 3.032) 5.882 12.182 ( -11.576 2.656 -2.169) 12.073 12.224 ( -2.636 -0.169 1.741) 3.164 12.524 ( -1.713 6.102 0.495) 6.357 13.032 ( 25.206 -10.484 1.497) 27.340 16.459 ( -1.083 3.153 4.246) 5.398 16.810 ( -0.962 -7.195 2.753) 7.764 17.113 ( 2.192 4.814 -4.931) 7.232 17.357 ( -1.121 4.704 5.853) 7.593 17.493 ( -1.154 -5.415 1.662) 5.780 17.650 ( 1.926 -0.458 -4.654) 5.058 18.082 ( -2.125 5.209 -9.128) 10.723 18.117 ( 4.180 2.186 -7.820) 9.132 19.226 ( 3.682 -0.031 -0.337) 3.698 19.252 ( -1.901 -0.757 0.658) 2.150 19.623 ( 0.654 11.550 -11.538) 16.339 19.817 ( 0.422 -0.301 -4.743) 4.771 23.949 ( 0.828 2.678 -0.116) 2.805 24.137 ( 2.357 5.019 -1.351) 5.707 24.295 ( 0.098 -5.701 1.931) 6.020 24.550 ( 2.869 -6.012 -1.579) 6.846 26.270 ( -2.358 7.913 -0.786) 8.294 26.502 ( -0.819 27.835 -22.573) 35.847 26.826 ( -0.125 -3.604 1.628) 3.956 27.341 ( 13.643 -5.627 -5.193) 15.645 28.474 ( 0.902 1.934 -4.492) 4.973 28.534 ( 0.668 -0.514 -2.507) 2.645 28.586 ( 0.591 1.032 -2.912) 3.145 28.661 ( 1.060 -0.672 -4.053) 4.242 35.078 ( -3.400 -0.266 12.505) 12.961 35.641 ( -4.343 -1.122 11.738) 12.566 35.739 ( -5.660 -14.527 16.985) 23.055 36.121 ( -20.030 -53.111 57.096) 80.510 38.612 ( 0.468 0.399 4.680) 4.720 38.654 ( -1.963 -0.501 5.024) 5.417 40.562 ( -1.643 55.030 -59.518) 81.077 41.315 ( 2.088 -1.072 -18.592) 18.739 ======================= Grid point 55 (26/111) ======================= q-point: ( 0.11 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 13.964 9.472 13.100) 21.362 1.106 ( 7.686 17.992 20.818) 28.569 1.495 ( -3.105 17.243 39.961) 43.633 1.759 ( 0.194 -13.724 2.161) 13.895 1.956 ( -5.371 -8.429 22.705) 24.808 2.156 ( 3.417 5.569 -9.278) 11.348 2.242 ( 2.433 -1.331 -8.476) 8.918 2.720 ( -3.528 -3.350 -4.092) 6.358 2.872 ( 3.383 0.061 4.389) 5.542 3.062 ( 0.272 -1.273 3.705) 3.927 3.233 ( 3.414 0.990 6.908) 7.769 3.361 ( 2.867 -0.320 11.928) 12.272 3.595 ( -2.967 0.366 15.769) 16.049 3.760 ( -1.241 -2.061 5.145) 5.679 3.996 ( 2.082 3.066 4.249) 5.638 4.207 ( 3.227 -1.638 0.143) 3.621 4.776 ( 0.904 0.024 -6.610) 6.671 4.816 ( 2.729 0.945 -9.396) 9.830 5.222 ( -4.841 -1.049 13.696) 14.564 5.378 ( -0.532 -2.454 9.416) 9.745 5.815 ( -2.156 4.638 8.299) 9.749 5.893 ( -1.878 3.113 -7.685) 8.501 6.224 ( 0.672 -6.601 -4.687) 8.124 6.355 ( -3.392 -2.676 -6.673) 7.950 6.466 ( 0.711 1.036 -2.758) 3.030 6.524 ( -3.096 3.437 -4.639) 6.551 6.570 ( -4.054 -1.754 -0.703) 4.472 6.824 ( -0.747 0.508 1.775) 1.992 6.895 ( -2.779 -1.467 7.480) 8.114 7.004 ( -1.205 2.452 7.667) 8.139 7.101 ( -1.793 -0.648 -0.336) 1.936 7.153 ( -3.033 -4.987 2.771) 6.461 7.243 ( -2.447 -1.600 5.108) 5.885 7.397 ( -2.993 0.056 -0.429) 3.024 7.403 ( 1.855 -4.382 3.544) 5.933 7.617 ( 2.686 -4.060 4.354) 6.531 7.669 ( -0.439 -1.127 -2.663) 2.925 7.688 ( -1.089 -1.612 -6.225) 6.522 7.988 ( -1.345 2.413 2.457) 3.697 8.090 ( -4.524 0.485 3.066) 5.487 8.235 ( 3.808 3.635 2.815) 5.970 8.397 ( -1.701 -0.334 1.695) 2.424 8.531 ( -5.263 8.066 -4.306) 10.550 8.587 ( -1.121 3.696 -2.237) 4.464 8.862 ( 2.890 1.170 -2.984) 4.316 8.942 ( -0.250 0.459 4.867) 4.895 9.022 ( -2.425 0.693 2.203) 3.349 9.062 ( 1.220 -2.222 -5.756) 6.290 9.385 ( -10.010 -3.080 12.876) 16.598 9.580 ( -10.695 -13.017 19.970) 26.127 9.884 ( -5.697 1.614 7.378) 9.460 9.967 ( -9.094 -0.868 12.461) 15.451 10.037 ( -2.309 6.432 3.809) 7.824 10.188 ( 3.919 2.975 0.460) 4.942 10.410 ( -0.305 -3.805 4.621) 5.994 10.525 ( 2.804 -2.496 1.361) 3.993 10.965 ( 1.034 1.179 4.881) 5.126 11.213 ( 2.025 -6.638 5.655) 8.952 11.622 ( -13.985 6.838 -0.039) 15.567 11.738 ( -5.085 1.586 -3.115) 6.171 12.036 ( -1.571 3.361 2.718) 4.599 12.205 ( -1.386 -2.463 1.688) 3.292 12.489 ( -1.603 10.653 -0.451) 10.782 13.528 ( 16.416 -27.173 -8.431) 32.847 16.461 ( -1.045 3.108 4.597) 5.647 16.805 ( -1.101 -6.977 2.735) 7.575 17.132 ( 1.980 4.142 -4.093) 6.151 17.361 ( -1.702 4.105 6.041) 7.499 17.472 ( -1.038 -4.902 -0.083) 5.012 17.646 ( 0.066 -1.289 -3.259) 3.505 18.000 ( -2.063 7.370 -5.427) 9.382 18.169 ( 5.708 -1.513 -9.719) 11.372 19.206 ( -1.532 0.661 0.753) 1.831 19.352 ( 6.015 -1.917 -0.840) 6.369 19.526 ( -3.424 10.527 -9.001) 14.268 19.833 ( 3.202 -1.226 -5.323) 6.332 23.938 ( -1.794 2.936 0.769) 3.526 24.173 ( 1.485 6.215 -0.713) 6.430 24.322 ( 1.489 -4.683 1.773) 5.224 24.695 ( 12.039 -6.666 -0.961) 13.795 26.200 ( -2.618 7.911 -1.898) 8.546 26.384 ( -0.678 19.512 -6.486) 20.573 26.813 ( -1.587 -1.139 0.549) 2.029 27.717 ( 22.066 -17.630 -20.831) 35.095 28.471 ( 1.130 1.903 -4.854) 5.335 28.523 ( -0.068 -0.654 -3.300) 3.364 28.587 ( 1.034 1.546 -3.136) 3.646 28.664 ( 1.323 -1.188 -4.686) 5.012 35.077 ( -3.255 -0.673 12.235) 12.679 35.545 ( -18.959 -19.145 29.608) 40.033 35.695 ( -6.652 -5.246 16.872) 18.879 35.919 ( -16.867 -10.791 30.093) 36.146 38.605 ( -3.034 -0.681 3.782) 4.896 38.645 ( -1.682 -2.544 5.795) 6.549 39.989 ( -20.796 56.682 -28.028) 66.565 41.171 ( -6.331 -2.806 -19.771) 20.949 ======================= Grid point 56 (27/111) ======================= q-point: ( 0.22 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 14.797 5.659 10.410) 18.957 1.340 ( 2.678 8.788 30.017) 31.391 1.670 ( 4.314 10.565 21.946) 24.735 1.780 ( 0.404 -10.223 5.897) 11.809 1.953 ( -6.155 -6.990 20.303) 22.337 2.219 ( 6.031 2.277 -5.004) 8.161 2.279 ( 5.899 1.050 -7.672) 9.734 2.642 ( -1.940 -1.267 -3.915) 4.550 2.965 ( 4.298 -1.433 -1.188) 4.684 3.079 ( -0.389 -0.655 5.641) 5.692 3.316 ( 2.093 2.975 4.452) 5.749 3.459 ( -0.994 -0.427 15.878) 15.915 3.628 ( -1.124 -0.372 14.175) 14.225 3.762 ( -1.121 -0.565 5.123) 5.274 4.067 ( 1.797 2.766 6.601) 7.380 4.287 ( 4.147 -1.502 0.644) 4.457 4.695 ( -3.376 2.148 -6.931) 8.003 4.831 ( 1.538 -1.332 -9.392) 9.610 5.245 ( 1.121 1.157 12.826) 12.927 5.454 ( 3.217 -2.790 9.706) 10.599 5.797 ( 0.356 1.912 -4.535) 4.934 5.871 ( -1.788 5.488 8.128) 9.969 6.204 ( 0.163 -3.774 -7.040) 7.990 6.254 ( -3.263 -1.582 -6.510) 7.452 6.407 ( -4.124 1.681 -3.427) 5.620 6.472 ( 0.712 1.029 -3.752) 3.956 6.533 ( 0.531 -1.693 -3.128) 3.597 6.810 ( -2.772 -4.887 7.705) 9.536 6.897 ( -0.093 4.081 0.730) 4.146 7.017 ( -1.009 1.515 4.225) 4.600 7.058 ( -2.541 -0.663 1.415) 2.983 7.106 ( -3.385 0.806 4.895) 6.006 7.201 ( -4.373 -2.539 5.061) 7.154 7.329 ( -2.772 1.700 0.522) 3.293 7.458 ( 1.335 -5.493 2.387) 6.136 7.595 ( -4.186 0.660 1.192) 4.402 7.676 ( 2.506 -3.410 -1.299) 4.426 7.702 ( 0.971 -3.304 1.752) 3.864 7.971 ( -3.319 1.307 -0.416) 3.591 7.998 ( -3.153 1.101 5.825) 6.714 8.284 ( -2.668 11.310 1.782) 11.756 8.371 ( -0.663 4.554 3.466) 5.761 8.440 ( 0.149 0.327 -1.595) 1.635 8.607 ( 3.295 0.889 -5.906) 6.821 8.882 ( 0.896 -0.790 -2.993) 3.223 8.960 ( -0.304 -0.326 3.273) 3.304 8.994 ( -2.101 -2.493 0.645) 3.324 9.061 ( 1.985 -0.980 -5.341) 5.781 9.248 ( -9.591 -2.332 11.071) 14.832 9.513 ( -5.367 -8.928 13.901) 17.371 9.861 ( -1.884 2.040 7.619) 8.110 9.899 ( -4.768 2.828 11.282) 12.571 10.033 ( -0.362 2.986 2.627) 3.993 10.257 ( 1.964 -3.077 1.764) 4.055 10.452 ( 2.753 0.907 3.871) 4.836 10.592 ( 2.999 -2.140 2.676) 4.554 11.008 ( 0.552 1.339 5.016) 5.221 11.251 ( 0.039 -2.646 3.055) 4.041 11.407 ( -9.007 4.388 -0.082) 10.019 11.601 ( -6.853 -0.314 -5.054) 8.521 12.034 ( -0.631 2.387 2.733) 3.683 12.187 ( -1.467 -2.729 1.847) 3.607 12.474 ( 0.503 13.231 -0.210) 13.242 13.600 ( -1.187 -20.904 -9.864) 23.145 16.464 ( -1.252 2.981 5.081) 6.022 16.797 ( -1.093 -6.559 2.555) 7.123 17.146 ( 1.430 3.193 -3.408) 4.884 17.352 ( -2.276 2.725 5.635) 6.660 17.457 ( -0.237 -5.667 -0.906) 5.744 17.631 ( 0.249 -2.042 -2.638) 3.345 17.952 ( -0.674 7.097 -3.604) 7.988 18.230 ( 5.347 -4.259 -9.177) 11.444 19.187 ( -0.862 2.520 0.466) 2.704 19.379 ( -2.344 10.756 -3.818) 11.652 19.488 ( 3.407 -2.485 -3.279) 5.342 19.870 ( 3.323 -2.429 -5.535) 6.897 23.900 ( -2.513 2.942 1.194) 4.049 24.187 ( 0.313 5.289 0.281) 5.306 24.356 ( 1.047 -0.771 0.747) 1.499 24.964 ( 15.761 -8.595 -2.445) 18.118 26.174 ( 0.536 5.715 -2.239) 6.161 26.398 ( 3.673 13.954 -1.119) 14.473 26.774 ( -2.531 0.366 -0.089) 2.558 27.877 ( 6.112 -19.798 -19.093) 28.176 28.464 ( 0.678 1.623 -4.699) 5.017 28.506 ( 0.418 -0.878 -4.495) 4.599 28.591 ( 1.112 2.283 -3.514) 4.335 28.658 ( 0.758 -1.148 -5.216) 5.395 35.077 ( -3.063 -1.010 11.812) 12.245 35.292 ( -21.147 -11.443 36.274) 43.520 35.669 ( -4.133 1.583 12.551) 13.308 35.832 ( -5.612 -0.376 14.131) 15.209 38.568 ( -2.148 -5.188 2.205) 6.033 38.633 ( -2.762 -4.235 6.355) 8.121 39.616 ( -9.178 41.437 -11.457) 43.961 40.914 ( -9.134 -5.226 -18.000) 20.851 ======================= Grid point 57 (28/111) ======================= q-point: ( 0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 6.270 8.864 5.526) 12.183 1.494 ( -5.609 4.211 39.536) 40.153 1.788 ( 0.870 -4.504 7.555) 8.838 1.896 ( 1.223 -3.442 10.591) 11.204 1.961 ( 2.535 -0.883 14.125) 14.378 2.302 ( 3.464 -4.247 0.419) 5.496 2.372 ( 7.151 4.397 -9.653) 12.792 2.613 ( 0.918 -1.066 -3.758) 4.013 2.985 ( 0.184 0.726 -6.215) 6.260 3.129 ( 2.038 -3.016 4.748) 5.983 3.361 ( 0.252 5.450 4.864) 7.309 3.487 ( -4.068 2.164 17.577) 18.171 3.681 ( -0.991 -2.234 11.541) 11.796 3.768 ( -1.289 -0.526 5.414) 5.591 4.106 ( -1.273 3.107 5.295) 6.269 4.342 ( 1.536 -2.078 -2.461) 3.569 4.616 ( -1.308 3.009 -4.297) 5.406 4.802 ( 0.094 -2.247 -3.355) 4.039 5.381 ( 5.412 2.038 11.237) 12.637 5.583 ( 4.195 -2.870 10.194) 11.391 5.806 ( 2.440 2.522 -3.213) 4.758 5.870 ( -2.518 5.462 7.898) 9.927 6.133 ( -4.074 1.910 -3.445) 5.667 6.188 ( 0.176 -1.574 -9.207) 9.342 6.360 ( 1.100 -2.810 -3.138) 4.354 6.468 ( 0.757 0.090 -3.049) 3.143 6.556 ( 3.376 -2.570 -2.382) 4.866 6.794 ( -4.109 -5.587 11.272) 13.235 6.886 ( 0.102 2.675 -4.584) 5.308 6.983 ( -3.730 3.979 2.282) 5.913 7.024 ( -2.061 1.167 3.210) 3.989 7.110 ( 0.241 -0.796 4.471) 4.547 7.135 ( -4.849 -0.601 7.710) 9.128 7.310 ( 1.165 1.483 -0.138) 1.891 7.474 ( -0.436 -3.357 -0.363) 3.404 7.512 ( -5.280 2.273 2.559) 6.293 7.718 ( 1.455 -3.424 1.905) 4.180 7.728 ( -0.020 -3.079 4.113) 5.137 7.889 ( -4.043 1.953 2.599) 5.188 8.013 ( 1.398 0.286 -0.558) 1.532 8.204 ( -4.708 11.371 4.330) 13.047 8.410 ( 1.710 1.611 0.412) 2.385 8.448 ( 0.792 0.415 -2.622) 2.771 8.639 ( 3.448 -0.346 -7.589) 8.343 8.871 ( -0.044 -1.823 -4.114) 4.500 8.925 ( -5.445 -3.883 6.405) 9.260 8.983 ( 1.713 -2.428 -3.348) 4.477 9.077 ( 2.325 -0.907 -5.351) 5.904 9.140 ( -6.683 -0.227 8.702) 10.974 9.498 ( -3.547 -8.176 12.479) 15.335 9.864 ( -1.042 4.465 5.804) 7.397 9.888 ( -4.080 2.699 15.410) 16.168 10.046 ( 0.551 1.659 0.993) 2.011 10.282 ( -0.132 -8.000 3.677) 8.806 10.533 ( 2.696 3.821 2.196) 5.167 10.676 ( 4.180 -0.346 4.743) 6.332 11.031 ( -0.106 0.784 3.020) 3.122 11.223 ( -5.624 6.616 -3.095) 9.218 11.283 ( -1.880 -5.596 2.772) 6.522 11.445 ( -6.237 -0.476 -4.563) 7.743 12.034 ( -0.808 2.312 2.463) 3.473 12.167 ( -1.564 -1.322 1.855) 2.763 12.506 ( 2.468 11.396 0.268) 11.663 13.472 ( -5.477 -14.639 -8.637) 17.858 16.464 ( -1.503 2.877 5.527) 6.410 16.792 ( -0.679 -6.544 2.550) 7.056 17.151 ( 0.811 2.675 -3.074) 4.155 17.331 ( -2.563 0.850 4.420) 5.179 17.452 ( 0.141 -6.000 -0.622) 6.034 17.632 ( 1.222 -2.168 -3.132) 4.001 17.933 ( 0.172 6.436 -1.765) 6.676 18.277 ( 4.069 -6.499 -8.007) 11.086 19.174 ( -0.713 3.937 0.118) 4.003 19.319 ( -1.124 14.070 -3.793) 14.616 19.538 ( 2.437 -5.022 -1.395) 5.754 19.901 ( 2.688 -2.709 -5.077) 6.351 23.858 ( -2.238 2.604 0.816) 3.529 24.193 ( 0.212 2.192 0.411) 2.241 24.363 ( -0.506 4.506 -0.362) 4.549 25.234 ( 13.199 -11.099 -5.419) 18.077 26.188 ( 2.285 4.888 -3.027) 6.187 26.496 ( 5.750 10.567 1.473) 12.120 26.717 ( -3.163 0.882 -0.468) 3.317 27.819 ( -2.415 -17.006 -11.746) 20.808 28.453 ( 0.677 1.423 -4.383) 4.658 28.494 ( 0.720 -1.269 -4.736) 4.955 28.595 ( 1.264 2.732 -4.033) 5.032 28.647 ( 0.917 -0.264 -5.036) 5.126 35.078 ( -2.930 -1.131 11.447) 11.870 35.135 ( -12.756 -3.696 29.588) 32.432 35.656 ( -3.601 2.388 11.398) 12.189 35.812 ( -3.702 -0.726 12.007) 12.586 38.545 ( -1.181 -9.100 0.908) 9.221 38.608 ( -3.065 -5.119 6.192) 8.599 39.457 ( -3.413 32.615 -7.249) 33.585 40.679 ( -5.756 -6.450 -14.951) 17.271 ======================= Grid point 58 (29/111) ======================= q-point: ( 0.44 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -0.098 9.974 1.915) 10.157 1.524 ( -11.554 2.145 39.126) 40.853 1.816 ( -4.138 0.361 14.494) 15.077 1.903 ( -4.033 -3.118 12.632) 13.622 2.098 ( 3.453 -3.678 -2.239) 5.519 2.357 ( 1.827 -7.937 2.379) 8.485 2.439 ( 4.807 5.178 -8.327) 10.921 2.621 ( 1.675 -0.088 -4.981) 5.256 2.952 ( 0.058 1.438 -5.075) 5.275 3.159 ( -0.204 -3.566 -1.538) 3.889 3.379 ( -1.708 5.597 7.425) 9.453 3.504 ( -3.101 3.236 16.984) 17.565 3.676 ( -5.147 -2.057 6.915) 8.862 3.762 ( -1.951 -1.646 6.063) 6.579 4.079 ( -2.630 3.547 1.808) 4.771 4.338 ( 1.004 -2.464 -5.693) 6.284 4.603 ( 0.843 3.137 -0.389) 3.271 4.813 ( 0.639 -2.527 2.495) 3.608 5.515 ( 1.017 1.854 12.291) 12.472 5.670 ( -1.486 -1.909 9.414) 9.720 5.824 ( -1.365 3.294 4.343) 5.619 5.905 ( 4.811 3.964 0.310) 6.242 6.050 ( -2.078 2.838 -3.626) 5.052 6.174 ( 2.848 -0.534 -4.677) 5.502 6.401 ( 3.707 -3.250 -0.952) 5.021 6.481 ( 2.793 -2.290 -3.241) 4.853 6.624 ( 3.720 -4.244 -1.316) 5.795 6.768 ( -4.983 -1.851 14.741) 15.670 6.862 ( 0.225 5.384 -6.130) 8.162 6.928 ( -2.427 -3.654 1.989) 4.816 7.010 ( -0.532 5.394 0.380) 5.433 7.052 ( -5.685 -1.714 7.977) 9.944 7.190 ( 3.059 -0.395 6.330) 7.041 7.366 ( 1.940 0.432 1.415) 2.440 7.435 ( -3.794 2.787 4.321) 6.390 7.442 ( 0.232 -0.811 -4.391) 4.471 7.724 ( -3.356 -2.781 5.408) 6.946 7.745 ( -0.483 -2.898 5.213) 5.984 7.861 ( 0.354 3.078 0.672) 3.170 8.029 ( 0.497 4.350 0.192) 4.383 8.172 ( -0.781 5.474 3.081) 6.330 8.415 ( -1.344 0.724 -2.122) 2.614 8.432 ( -0.679 1.221 -3.606) 3.867 8.662 ( 3.336 -0.591 -8.662) 9.301 8.842 ( -1.496 -3.204 -2.589) 4.383 8.857 ( -3.867 -4.495 5.218) 7.899 8.999 ( 1.580 -1.776 -3.725) 4.419 9.084 ( -2.620 -0.707 6.418) 6.968 9.101 ( 2.561 0.242 -4.988) 5.612 9.495 ( -3.377 -9.274 12.984) 16.309 9.881 ( -4.327 2.516 14.255) 15.108 9.887 ( -0.564 5.971 8.454) 10.365 10.056 ( 0.009 1.659 0.174) 1.668 10.306 ( 0.197 -9.255 5.976) 11.018 10.560 ( -0.295 3.614 0.721) 3.697 10.764 ( 0.304 1.517 4.276) 4.547 11.058 ( 2.960 0.466 1.122) 3.200 11.090 ( -5.366 2.344 -1.474) 6.038 11.297 ( 1.502 -3.830 -2.738) 4.942 11.324 ( -3.814 0.923 -0.871) 4.019 12.030 ( -0.818 2.107 2.348) 3.259 12.151 ( -0.873 -0.877 2.047) 2.392 12.548 ( 1.157 9.841 -0.172) 9.910 13.361 ( -0.751 -11.228 -6.603) 13.047 16.463 ( -1.564 2.903 5.718) 6.601 16.796 ( -0.359 -6.827 2.932) 7.439 17.147 ( 0.439 2.567 -3.159) 4.094 17.303 ( -2.010 -0.674 2.853) 3.554 17.455 ( 0.171 -5.302 -0.026) 5.305 17.635 ( 0.663 -1.400 -4.042) 4.329 17.943 ( 1.293 5.249 0.326) 5.416 18.306 ( 2.858 -7.767 -6.888) 10.767 19.161 ( -0.470 4.437 -0.238) 4.468 19.300 ( 0.860 15.325 -2.909) 15.623 19.564 ( 0.949 -5.658 -1.032) 5.829 19.925 ( 2.227 -2.622 -4.157) 5.396 23.825 ( -1.386 2.230 0.029) 2.626 24.198 ( -0.154 -3.282 0.516) 3.326 24.337 ( -1.217 11.147 -2.272) 11.441 25.377 ( 4.720 -12.302 -8.952) 15.930 26.227 ( 3.020 3.931 -2.960) 5.774 26.596 ( 1.944 15.240 -1.014) 15.397 26.666 ( -0.583 -5.117 3.082) 6.002 27.730 ( -0.711 -14.485 -5.795) 15.617 28.450 ( 1.329 1.385 -4.345) 4.750 28.486 ( 0.865 -1.695 -4.355) 4.753 28.598 ( 1.268 2.908 -4.425) 5.444 28.643 ( 1.277 0.319 -4.873) 5.047 35.080 ( -3.020 -0.996 11.521) 11.952 35.087 ( -7.285 -1.420 26.802) 27.810 35.646 ( -3.304 2.441 10.854) 11.605 35.806 ( -3.121 -1.235 11.549) 12.027 38.529 ( -0.721 -11.239 -0.201) 11.264 38.584 ( -2.461 -5.031 5.718) 8.004 39.393 ( 0.171 29.735 -6.326) 30.401 40.563 ( 1.121 -6.774 -12.018) 13.841 ======================= Grid point 59 (30/111) ======================= q-point: (-0.44 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.717 8.128 0.824) 9.433 1.458 ( -14.778 2.294 36.645) 39.579 1.769 ( -8.224 2.148 12.167) 14.842 1.867 ( -5.852 -5.839 12.316) 14.833 2.038 ( -7.230 -0.329 -1.052) 7.313 2.404 ( 1.334 -8.038 2.887) 8.644 2.473 ( 2.625 5.945 -8.232) 10.488 2.623 ( 1.739 -0.171 -6.788) 7.009 2.933 ( -0.164 0.297 -3.984) 3.998 3.116 ( -2.510 2.500 -2.897) 4.576 3.359 ( -4.534 -0.917 7.766) 9.039 3.520 ( -4.777 3.260 11.631) 12.990 3.573 ( -5.919 -1.721 5.170) 8.045 3.761 ( -1.823 -2.132 7.243) 7.767 4.046 ( -1.396 4.076 0.394) 4.327 4.335 ( 1.561 -2.602 -6.036) 6.756 4.631 ( 1.824 2.827 0.800) 3.458 4.826 ( -1.062 -2.053 2.788) 3.621 5.526 ( -5.920 1.091 12.908) 14.243 5.633 ( -5.878 -0.823 7.402) 9.488 5.807 ( -2.838 3.100 5.811) 7.171 5.984 ( -1.133 1.693 7.262) 7.543 6.070 ( 9.058 3.029 -8.827) 13.006 6.257 ( 6.008 -1.123 0.398) 6.125 6.468 ( 2.187 -1.151 3.929) 4.641 6.559 ( 6.731 -4.854 -3.880) 9.161 6.663 ( 1.702 -3.612 -1.747) 4.359 6.755 ( -4.499 1.154 14.136) 14.879 6.817 ( -2.556 4.580 -1.359) 5.418 6.947 ( 3.396 -5.664 0.295) 6.611 6.990 ( -1.933 3.473 0.624) 4.023 7.007 ( -2.725 4.481 6.569) 8.406 7.275 ( 0.951 -4.591 3.995) 6.160 7.336 ( -1.273 0.617 -1.285) 1.911 7.381 ( -2.102 1.636 3.818) 4.656 7.545 ( 6.639 -0.760 0.450) 6.698 7.671 ( -3.443 -1.831 5.009) 6.348 7.756 ( -0.991 -0.677 5.491) 5.620 7.893 ( 1.858 3.526 2.223) 4.564 8.050 ( 1.506 7.857 1.693) 8.177 8.184 ( 0.225 1.071 1.236) 1.651 8.337 ( -3.971 -0.385 -5.675) 6.937 8.388 ( -2.238 3.264 -2.651) 4.764 8.680 ( 2.706 -0.332 -8.139) 8.583 8.793 ( -2.534 -3.747 1.420) 4.741 8.837 ( -0.355 -3.672 1.165) 3.869 9.004 ( 1.033 -0.461 -4.016) 4.172 9.090 ( -0.518 0.859 6.214) 6.294 9.132 ( 3.435 -1.858 -5.741) 6.943 9.507 ( -2.602 -11.200 15.036) 18.929 9.866 ( -4.218 2.251 13.031) 13.881 9.928 ( -0.399 5.574 10.924) 12.270 10.048 ( -0.793 2.061 0.099) 2.210 10.345 ( -0.068 -8.905 7.445) 11.607 10.540 ( -1.706 2.979 -0.516) 3.471 10.706 ( -6.337 1.029 1.274) 6.545 11.008 ( -3.118 0.669 -0.497) 3.227 11.160 ( 5.294 -0.006 1.239) 5.437 11.227 ( -2.328 -0.571 -3.766) 4.464 11.389 ( 6.771 0.211 0.308) 6.782 12.024 ( -1.043 2.017 2.134) 3.116 12.157 ( 0.235 -1.533 2.315) 2.786 12.538 ( -1.532 11.159 -0.617) 11.281 13.394 ( 6.684 -11.640 -5.176) 14.386 16.462 ( -1.452 3.020 5.604) 6.529 16.806 ( -0.342 -7.059 3.430) 7.856 17.134 ( 0.043 2.362 -3.769) 4.448 17.291 ( -0.376 -0.756 2.120) 2.282 17.455 ( -0.264 -4.257 0.052) 4.265 17.616 ( -0.275 -0.115 -4.173) 4.184 17.982 ( 2.057 3.976 1.433) 4.700 18.316 ( 1.644 -7.474 -6.586) 10.096 19.155 ( 0.040 4.284 -0.543) 4.319 19.320 ( 2.450 15.200 -1.995) 15.525 19.564 ( -0.446 -5.862 -1.202) 6.000 19.945 ( 1.728 -2.735 -3.323) 4.638 23.808 ( -0.133 2.126 -0.682) 2.236 24.185 ( -1.630 -6.574 0.859) 6.827 24.307 ( 0.218 14.232 -4.370) 14.889 25.320 ( -4.993 -11.800 -11.260) 17.058 26.260 ( 1.394 4.338 -1.270) 4.730 26.540 ( -3.847 13.528 -2.944) 14.369 26.736 ( 2.629 -2.939 5.581) 6.833 27.757 ( 6.187 -15.728 -6.014) 17.939 28.460 ( 1.962 1.566 -4.269) 4.953 28.483 ( 1.079 -1.841 -4.047) 4.575 28.598 ( 1.100 2.973 -4.482) 5.490 28.646 ( 1.524 0.325 -4.857) 5.101 35.080 ( -3.063 -0.718 11.872) 12.282 35.120 ( -4.189 -1.831 29.656) 30.007 35.639 ( -2.974 2.334 10.606) 11.260 35.807 ( -2.812 -1.524 11.345) 11.788 38.514 ( -0.449 -11.216 -0.897) 11.261 38.575 ( -1.251 -4.692 5.284) 7.176 39.400 ( 3.995 31.008 -6.054) 31.846 40.604 ( 8.864 -6.815 -10.140) 15.094 ======================= Grid point 60 (31/111) ======================= q-point: (-0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -14.199 4.259 4.052) 15.368 1.340 ( -16.366 5.418 32.187) 36.512 1.652 ( -5.519 -3.457 1.493) 6.681 1.771 ( -11.273 4.755 10.633) 16.209 1.920 ( -6.802 -2.309 16.556) 18.047 2.415 ( -0.833 -2.415 -1.840) 3.148 2.446 ( -0.824 4.703 -8.702) 9.926 2.627 ( 2.021 -3.858 -5.447) 6.974 2.900 ( -1.496 2.573 -0.640) 3.044 3.053 ( -2.483 4.621 -2.299) 5.727 3.286 ( -6.251 -4.406 5.119) 9.203 3.411 ( -6.727 -3.009 2.476) 7.775 3.559 ( -3.216 0.954 12.732) 13.166 3.763 ( -1.721 -1.894 6.708) 7.179 4.020 ( -1.611 4.607 0.225) 4.885 4.320 ( -0.402 -2.698 -5.384) 6.036 4.685 ( 3.657 2.197 -0.013) 4.267 4.799 ( -2.088 -0.708 -0.869) 2.370 5.455 ( -7.811 0.053 13.981) 16.015 5.539 ( -7.292 -1.039 7.484) 10.501 5.791 ( -2.168 4.391 7.078) 8.607 5.997 ( -0.200 0.937 6.028) 6.104 6.220 ( 8.715 -0.118 -3.675) 9.459 6.356 ( 2.566 -3.943 0.303) 4.714 6.522 ( 0.851 2.438 4.315) 5.029 6.649 ( 2.996 -2.964 1.051) 4.343 6.696 ( -2.388 -1.416 5.296) 5.980 6.738 ( 3.821 -0.560 -4.046) 5.593 6.808 ( 0.216 3.014 8.795) 9.300 6.954 ( -1.802 5.222 -0.905) 5.598 6.991 ( -1.667 -1.032 9.120) 9.328 7.015 ( 1.694 1.268 -0.967) 2.327 7.256 ( -0.580 -5.418 -2.197) 5.876 7.310 ( -1.379 1.065 1.743) 2.464 7.436 ( 3.284 -1.901 2.010) 4.294 7.563 ( -3.545 -2.650 3.695) 5.766 7.739 ( 5.678 -1.120 2.539) 6.319 7.775 ( 0.492 0.272 6.138) 6.163 7.949 ( 1.769 2.907 5.149) 6.172 8.081 ( -0.639 8.588 -3.363) 9.245 8.179 ( 0.061 -1.647 2.437) 2.942 8.246 ( -1.343 -0.017 -6.370) 6.510 8.343 ( -0.692 6.930 0.797) 7.010 8.671 ( 0.101 0.505 -6.145) 6.167 8.772 ( -0.417 -2.906 1.505) 3.299 8.846 ( 1.003 -2.596 -0.617) 2.850 9.002 ( 0.987 0.496 -3.870) 4.025 9.111 ( -0.415 -0.121 5.269) 5.286 9.178 ( 3.721 -1.212 -2.628) 4.714 9.550 ( -1.609 -13.426 17.403) 22.039 9.858 ( -2.991 2.160 12.488) 13.022 9.984 ( -0.337 1.661 13.933) 14.036 10.036 ( -0.336 4.407 1.145) 4.565 10.358 ( -2.786 -5.548 5.468) 8.273 10.494 ( -3.055 0.193 1.711) 3.507 10.586 ( -5.536 -1.102 -0.194) 5.648 10.953 ( -2.270 0.714 -0.836) 2.522 11.157 ( -1.708 -4.760 -2.899) 5.829 11.284 ( 6.148 8.018 -0.269) 10.108 11.553 ( 8.816 -0.470 1.277) 8.920 12.011 ( -1.299 2.152 1.615) 2.988 12.178 ( 0.518 -3.259 2.381) 4.069 12.509 ( -0.839 13.813 0.430) 13.846 13.520 ( 8.061 -15.443 -6.843) 18.716 16.463 ( -1.343 3.114 5.210) 6.217 16.816 ( -0.565 -7.146 3.676) 8.056 17.114 ( 0.182 2.653 -4.564) 5.282 17.310 ( 0.838 0.084 2.723) 2.850 17.445 ( -0.364 -3.353 -0.705) 3.445 17.593 ( 0.190 0.905 -3.641) 3.756 18.027 ( 1.705 3.557 1.399) 4.185 18.298 ( 0.072 -5.601 -7.422) 9.299 19.156 ( 0.418 3.183 -0.659) 3.277 19.374 ( 4.008 13.964 -1.309) 14.587 19.534 ( -1.752 -5.627 -2.111) 6.260 19.952 ( 0.483 -2.826 -2.968) 4.127 23.815 ( 1.376 2.292 -1.007) 2.856 24.149 ( -1.960 -2.240 -0.146) 2.979 24.303 ( 1.311 8.278 -4.190) 9.370 25.100 ( -10.958 -9.911 -10.875) 18.346 26.267 ( -0.602 5.672 0.959) 5.784 26.454 ( -3.009 16.349 -2.779) 16.855 26.798 ( 0.946 -3.536 5.275) 6.420 27.856 ( 7.546 -19.510 -13.861) 25.094 28.479 ( 2.159 1.766 -4.494) 5.289 28.487 ( 1.429 -1.684 -3.708) 4.316 28.596 ( 0.984 2.869 -3.957) 4.986 28.653 ( 1.836 -0.281 -5.079) 5.408 35.082 ( -3.091 -0.308 11.907) 12.305 35.236 ( -1.561 -5.792 39.425) 39.879 35.639 ( -2.634 2.149 10.622) 11.152 35.814 ( -2.531 -1.529 11.608) 11.979 38.506 ( 0.120 -8.663 -0.728) 8.694 38.589 ( -0.086 -4.484 5.007) 6.722 39.498 ( 9.826 36.733 -5.889) 38.478 40.789 ( 15.081 -6.164 -9.998) 19.116 ======================= Grid point 61 (32/111) ======================= q-point: (-0.22 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -18.820 5.081 3.689) 19.840 1.157 ( -17.734 10.908 25.874) 33.210 1.519 ( -14.034 18.825 17.301) 29.166 1.683 ( -1.186 -8.400 8.612) 12.088 1.906 ( -5.173 -7.514 19.307) 21.354 2.361 ( -1.790 1.293 -7.205) 7.536 2.366 ( -2.156 3.509 -10.040) 10.852 2.646 ( 1.556 -6.373 -0.198) 6.563 2.895 ( 0.519 7.028 3.044) 7.676 2.999 ( -1.888 -0.066 -1.521) 2.425 3.181 ( -7.136 -4.543 5.726) 10.216 3.316 ( -4.037 -4.187 0.588) 5.846 3.557 ( -3.742 0.758 13.365) 13.900 3.759 ( -1.948 -2.216 5.797) 6.505 3.988 ( -1.669 4.406 0.271) 4.719 4.266 ( -2.544 -2.933 -3.532) 5.249 4.746 ( -0.854 0.349 -4.100) 4.202 4.765 ( 4.073 1.220 -2.352) 4.859 5.382 ( -7.259 -1.395 14.348) 16.140 5.448 ( -6.034 -1.036 8.750) 10.680 5.790 ( -2.271 5.964 9.137) 11.145 6.042 ( 1.970 0.135 4.284) 4.718 6.320 ( -2.375 -3.932 -5.369) 7.066 6.367 ( 5.000 -3.173 2.237) 6.330 6.527 ( -1.612 4.331 -0.098) 4.622 6.664 ( -1.465 0.498 1.042) 1.865 6.708 ( 0.424 -5.953 6.125) 8.552 6.803 ( 1.957 1.753 1.011) 2.815 6.882 ( 1.525 2.249 8.624) 9.043 6.925 ( -0.632 3.418 0.900) 3.590 7.017 ( 2.391 -0.770 -0.452) 2.552 7.043 ( 1.000 1.485 7.452) 7.664 7.251 ( 0.752 -5.177 -2.346) 5.733 7.317 ( 1.082 -0.250 2.351) 2.600 7.454 ( -1.115 -4.051 -5.216) 6.698 7.529 ( -1.983 -1.887 4.686) 5.427 7.818 ( 2.044 0.705 4.375) 4.880 7.864 ( 4.144 -0.571 4.405) 6.075 7.949 ( -4.176 3.427 -2.282) 5.864 8.009 ( -1.880 1.329 -4.290) 4.869 8.212 ( -0.322 0.643 -1.365) 1.543 8.239 ( 3.998 -1.118 2.971) 5.105 8.414 ( 6.272 9.700 3.572) 12.091 8.637 ( -0.508 2.812 -3.798) 4.753 8.780 ( 0.432 -1.900 0.837) 2.121 8.862 ( 0.913 -1.154 -0.557) 1.573 9.009 ( 1.860 0.304 -3.973) 4.398 9.132 ( 0.211 -0.868 3.612) 3.721 9.259 ( 3.922 -0.760 6.935) 8.004 9.607 ( -2.123 -14.657 17.950) 23.271 9.891 ( -0.181 0.633 13.380) 13.397 10.021 ( -0.782 0.319 5.177) 5.246 10.101 ( 2.445 2.425 19.586) 19.887 10.277 ( -6.472 0.323 1.012) 6.558 10.456 ( -3.314 -3.970 6.698) 8.462 10.505 ( -2.395 -2.313 -1.626) 3.705 10.913 ( -1.462 0.601 -0.814) 1.778 11.108 ( -2.162 -4.731 -3.124) 6.067 11.431 ( 9.573 13.013 1.859) 16.262 11.707 ( 6.160 0.247 0.559) 6.190 11.996 ( -0.828 2.407 1.444) 2.927 12.197 ( 0.409 -3.502 2.036) 4.072 12.516 ( 0.659 12.648 1.892) 12.806 13.566 ( -0.308 -21.337 -12.622) 24.793 16.463 ( -1.308 3.114 4.642) 5.740 16.820 ( -0.896 -7.216 3.450) 8.048 17.100 ( 1.056 3.638 -5.176) 6.414 17.337 ( -0.206 2.234 4.484) 5.014 17.448 ( 1.496 -4.066 -1.100) 4.470 17.591 ( 1.621 1.683 -3.741) 4.411 18.059 ( 1.125 4.234 0.376) 4.397 18.244 ( -1.310 -3.035 -8.857) 9.454 19.164 ( 0.721 1.341 -0.603) 1.637 19.431 ( -0.924 2.914 -0.154) 3.061 19.500 ( 3.194 4.731 -5.421) 7.872 19.927 ( -1.467 -2.257 -3.198) 4.180 23.851 ( 2.823 2.496 -0.896) 3.873 24.120 ( -0.565 1.325 -1.342) 1.969 24.306 ( 0.606 1.995 -2.591) 3.325 24.826 ( -11.525 -7.618 -8.223) 16.077 26.255 ( -0.799 8.220 1.986) 8.495 26.413 ( 0.410 19.836 -3.387) 20.127 26.827 ( -0.406 -4.456 4.236) 6.162 27.837 ( -0.752 -21.001 -25.799) 33.274 28.489 ( 1.450 1.973 -5.664) 6.171 28.502 ( 1.652 -1.487 -2.436) 3.298 28.596 ( 0.815 2.259 -3.102) 3.923 28.663 ( 1.871 -1.176 -5.371) 5.808 35.082 ( -3.256 -0.014 12.258) 12.683 35.474 ( 1.897 -18.693 52.321) 55.592 35.645 ( -2.522 1.682 10.889) 11.302 35.835 ( -1.843 -1.849 15.658) 15.874 38.517 ( 1.311 -4.078 0.547) 4.318 38.619 ( 0.400 -3.662 5.039) 6.242 39.756 ( 22.193 48.586 -8.096) 54.025 41.052 ( 16.927 -4.032 -12.017) 21.147 ======================= Grid point 62 (33/111) ======================= q-point: (-0.11 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -11.544 15.764 8.313) 21.234 0.931 ( -14.573 21.833 15.175) 30.321 1.389 ( -13.917 21.632 40.985) 48.388 1.726 ( 1.066 -12.838 4.216) 13.554 1.908 ( -4.725 -9.239 20.054) 22.579 2.271 ( -1.948 5.121 -10.936) 12.232 2.297 ( -0.399 -0.219 -8.993) 9.004 2.688 ( 1.836 -6.785 3.924) 8.050 2.916 ( -0.306 4.811 -2.396) 5.383 2.987 ( 0.356 1.153 5.107) 5.248 3.097 ( -4.163 -5.989 8.643) 11.309 3.260 ( -1.768 -0.732 0.115) 1.917 3.556 ( -3.549 0.701 14.639) 15.079 3.751 ( -1.797 -2.529 5.781) 6.561 3.964 ( -0.887 3.620 0.067) 3.728 4.203 ( -2.265 -2.898 -1.551) 3.991 4.716 ( 1.251 0.508 -6.769) 6.902 4.826 ( 3.040 -0.222 -3.383) 4.554 5.316 ( -6.921 -2.448 13.708) 15.550 5.398 ( -4.308 -1.101 9.685) 10.657 5.795 ( -2.425 7.473 10.839) 13.387 6.092 ( 1.473 0.530 -4.996) 5.235 6.215 ( -3.865 -4.358 -0.396) 5.839 6.476 ( 3.316 -2.491 -0.256) 4.155 6.482 ( -0.593 1.987 -3.277) 3.878 6.614 ( -3.998 -6.427 -0.078) 7.570 6.716 ( -2.007 -0.224 3.446) 3.994 6.809 ( -0.270 5.095 -0.880) 5.177 6.930 ( -0.663 -0.260 7.793) 7.825 6.960 ( 0.779 -0.424 7.462) 7.514 7.083 ( 2.487 0.098 3.390) 4.205 7.135 ( 3.632 -2.228 8.395) 9.415 7.257 ( 1.605 -2.998 -2.633) 4.301 7.357 ( -2.466 -3.178 -8.014) 8.967 7.382 ( 2.003 -2.380 3.880) 4.972 7.514 ( -1.980 -3.484 3.351) 5.224 7.789 ( -3.835 5.009 -7.268) 9.624 7.910 ( -2.215 -0.961 -7.657) 8.028 7.939 ( 0.571 0.237 4.788) 4.827 7.974 ( 4.312 1.220 4.868) 6.616 8.187 ( -1.463 2.164 -0.368) 2.638 8.365 ( 4.996 -3.375 4.032) 7.253 8.528 ( 3.520 4.411 -3.717) 6.757 8.648 ( 4.502 6.029 -4.230) 8.632 8.791 ( 0.672 -0.834 -1.288) 1.675 8.880 ( 0.335 0.445 3.787) 3.828 9.032 ( 2.724 -0.675 -4.684) 5.461 9.141 ( -0.688 -2.251 -0.075) 2.355 9.394 ( 2.680 -2.018 15.529) 15.888 9.645 ( -3.177 -13.453 17.371) 22.200 9.966 ( 0.402 -1.158 10.171) 10.244 10.033 ( -0.665 3.547 4.928) 6.108 10.156 ( -4.864 3.106 -1.502) 5.963 10.339 ( 4.198 -18.410 34.812) 39.603 10.429 ( -2.468 -6.951 8.040) 10.911 10.474 ( -1.020 -2.099 1.645) 2.855 10.897 ( 0.586 0.736 0.545) 1.087 11.040 ( -2.633 -3.618 -1.866) 4.849 11.718 ( 16.644 10.728 7.476) 21.166 11.792 ( 3.917 2.980 0.020) 4.921 12.021 ( 4.952 5.629 3.115) 8.119 12.215 ( 0.352 -0.714 1.518) 1.714 12.536 ( -0.047 7.522 1.926) 7.765 13.287 ( -21.780 -20.758 -18.053) 35.089 16.460 ( -1.252 3.096 4.198) 5.365 16.817 ( -1.115 -7.248 2.937) 7.900 17.101 ( 1.774 4.585 -5.445) 7.336 17.349 ( -0.982 4.173 5.341) 6.849 17.483 ( 1.348 -5.463 1.365) 5.790 17.618 ( 3.361 1.350 -5.021) 6.192 18.081 ( 2.120 5.522 -2.826) 6.555 18.166 ( -1.556 -0.322 -9.882) 10.009 19.178 ( 1.191 0.280 -0.664) 1.392 19.342 ( -5.660 -3.064 -1.195) 6.546 19.588 ( 6.981 11.824 -8.236) 16.012 19.868 ( -2.478 -0.943 -3.990) 4.790 23.908 ( 3.170 2.552 -0.598) 4.113 24.114 ( 0.832 3.120 -1.879) 3.736 24.298 ( -0.538 -2.881 -0.182) 2.936 24.608 ( -6.806 -6.242 -4.612) 10.323 26.276 ( 1.285 8.816 1.661) 9.063 26.451 ( 8.210 26.885 -9.963) 29.824 26.829 ( -1.230 -5.313 3.026) 6.237 27.534 ( -15.117 -13.050 -26.094) 32.859 28.482 ( 0.801 2.007 -4.895) 5.351 28.522 ( 1.618 -0.999 -2.258) 2.952 28.593 ( 0.366 1.417 -2.854) 3.207 28.665 ( 0.996 -1.033 -4.733) 4.945 35.081 ( -3.397 0.004 12.509) 12.962 35.649 ( -2.650 2.066 10.439) 10.966 35.717 ( -2.124 -22.266 27.224) 35.234 35.986 ( 0.208 -32.113 53.850) 62.698 38.562 ( 2.211 0.226 2.810) 3.582 38.649 ( -0.229 -2.039 5.226) 5.614 40.301 ( 40.766 57.747 -28.422) 76.186 41.270 ( 11.806 -1.336 -15.839) 19.800 ======================= Grid point 63 (34/111) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.035 22.084 4.584) 22.578 1.279 ( -1.358 8.586 18.459) 20.403 1.453 ( -2.191 -8.472 9.594) 12.985 1.681 ( -4.065 -14.758 23.956) 28.429 1.872 ( -4.151 24.740 17.435) 30.549 2.192 ( -1.231 -6.890 -5.098) 8.659 2.306 ( 0.382 6.548 -10.018) 11.974 2.515 ( 0.976 -15.498 -1.076) 15.566 2.911 ( -0.520 3.447 5.150) 6.218 2.985 ( -0.571 -3.406 7.805) 8.535 3.175 ( 2.111 3.960 8.866) 9.937 3.247 ( 1.889 -2.959 4.914) 6.039 3.608 ( -2.213 3.429 11.113) 11.839 3.685 ( -1.575 -4.166 7.751) 8.939 4.036 ( 0.228 4.417 1.343) 4.622 4.115 ( 0.298 -3.787 0.895) 3.902 4.756 ( 3.549 2.300 -6.729) 7.947 4.811 ( 2.453 -2.893 -6.571) 7.587 5.253 ( -5.283 1.991 12.500) 13.716 5.317 ( -4.168 -3.849 9.935) 11.441 5.989 ( -3.565 10.059 7.575) 13.087 6.036 ( -3.364 1.863 -9.199) 9.970 6.135 ( 1.032 -0.920 -0.599) 1.507 6.295 ( -2.571 -13.373 4.294) 14.279 6.481 ( -0.301 0.142 -2.419) 2.442 6.487 ( -0.256 -0.756 -0.498) 0.941 6.744 ( -4.505 4.705 0.358) 6.524 6.825 ( -4.805 -3.814 0.291) 6.142 6.960 ( 1.654 7.355 -0.575) 7.560 7.047 ( 0.103 2.003 4.871) 5.268 7.090 ( 0.116 -1.754 4.107) 4.467 7.131 ( -1.348 -2.853 3.851) 4.978 7.208 ( -0.235 -0.318 1.855) 1.897 7.255 ( 1.661 -3.845 0.541) 4.223 7.426 ( -0.767 -1.691 1.946) 2.690 7.433 ( 3.067 -2.723 3.443) 5.355 7.738 ( -3.369 1.732 -9.142) 9.896 7.766 ( -4.176 -1.405 -8.350) 9.441 8.039 ( 1.815 2.929 3.634) 5.008 8.081 ( 3.143 -1.213 1.847) 3.842 8.246 ( 0.053 4.534 3.337) 5.630 8.336 ( -0.140 -4.797 2.671) 5.493 8.633 ( 2.382 4.516 -6.794) 8.498 8.698 ( 1.462 -1.920 -7.673) 8.043 8.878 ( 3.208 4.510 -1.720) 5.795 8.928 ( 1.020 -0.390 4.177) 4.317 9.032 ( 0.414 -0.261 -3.953) 3.983 9.059 ( -0.913 -2.322 -3.396) 4.214 9.398 ( -5.233 -1.402 17.467) 18.288 9.443 ( -7.050 -6.905 22.272) 24.360 9.977 ( -4.181 0.912 8.410) 9.436 10.009 ( -6.746 -2.425 11.906) 13.897 10.197 ( -1.750 3.843 1.548) 4.497 10.272 ( -2.207 7.290 4.614) 8.905 10.300 ( -0.348 -5.297 2.607) 5.914 10.407 ( 0.158 -5.675 2.934) 6.390 10.947 ( 1.665 1.550 3.274) 3.987 10.995 ( 3.475 -3.703 4.045) 6.493 11.826 ( -1.629 2.027 -0.858) 2.739 11.860 ( -2.348 -1.710 0.939) 3.053 12.209 ( -3.770 0.775 -0.198) 3.854 12.219 ( -2.943 -0.390 0.833) 3.084 12.675 ( 1.304 9.216 0.184) 9.309 12.853 ( 7.030 -9.290 0.407) 11.657 16.545 ( -1.098 5.744 4.123) 7.155 16.670 ( -1.098 -7.273 3.647) 8.210 17.217 ( 1.623 6.198 -4.122) 7.618 17.343 ( 0.712 -6.582 -1.521) 6.793 17.495 ( -1.113 5.821 3.617) 6.943 17.599 ( -0.205 -4.504 0.922) 4.602 18.131 ( 0.945 1.590 -8.172) 8.378 18.147 ( 1.682 0.204 -9.151) 9.306 19.228 ( 1.858 0.316 -0.062) 1.885 19.238 ( -0.243 -0.688 0.270) 0.778 19.758 ( 0.285 3.939 -8.143) 9.050 19.804 ( 0.352 -1.284 -5.659) 5.813 24.030 ( 0.991 5.784 0.630) 5.902 24.158 ( 1.891 -7.234 1.078) 7.554 24.266 ( 1.324 7.406 -1.754) 7.725 24.416 ( 2.677 -7.882 -2.423) 8.669 26.455 ( -2.838 10.792 -0.270) 11.162 26.646 ( -4.248 -8.161 -1.409) 9.308 26.959 ( 4.441 14.861 -13.547) 20.594 27.193 ( 7.137 -9.962 -8.059) 14.667 28.502 ( 0.755 1.109 -3.650) 3.889 28.521 ( 0.813 -0.877 -2.848) 3.089 28.613 ( 0.774 1.646 -3.511) 3.954 28.642 ( 0.905 -1.323 -3.841) 4.162 35.096 ( -5.451 3.042 18.239) 19.277 35.250 ( -10.146 -15.662 31.481) 36.597 35.727 ( -2.865 4.123 12.171) 13.166 35.815 ( -3.877 -5.313 15.813) 17.126 38.625 ( -0.463 0.825 4.835) 4.927 38.641 ( -1.397 -0.813 5.008) 5.262 41.122 ( 1.085 13.884 -35.315) 37.962 41.272 ( 1.830 -4.014 -23.158) 23.574 ======================= Grid point 64 (35/111) ======================= q-point: ( 0.11 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 6.353 18.572 6.786) 20.768 1.372 ( 1.749 -2.647 14.178) 14.528 1.495 ( -0.537 0.209 17.713) 17.722 1.736 ( -3.845 -13.494 25.404) 29.022 1.894 ( -1.941 19.819 13.171) 23.876 2.151 ( -0.520 -6.822 -3.813) 7.833 2.307 ( 4.931 8.469 -8.486) 12.963 2.533 ( 1.931 -13.905 -2.842) 14.323 2.940 ( 1.731 4.912 0.815) 5.272 3.014 ( 0.388 -2.783 3.673) 4.624 3.278 ( 2.405 2.522 13.896) 14.327 3.330 ( 2.010 -2.743 11.604) 12.092 3.625 ( -1.885 3.158 10.968) 11.568 3.700 ( -0.956 -4.033 7.336) 8.426 4.074 ( 2.347 4.717 3.558) 6.358 4.157 ( 3.017 -3.670 2.345) 5.298 4.790 ( 2.257 1.390 -7.213) 7.684 4.817 ( 2.162 -1.020 -8.937) 9.252 5.234 ( -2.853 2.605 12.545) 13.127 5.308 ( -1.334 -4.484 10.011) 11.051 5.913 ( -2.856 5.295 -4.650) 7.604 5.973 ( -1.920 1.943 -0.603) 2.797 6.143 ( 0.729 0.784 -1.646) 1.964 6.263 ( -1.897 -7.501 0.319) 7.744 6.470 ( -0.245 -0.169 -1.112) 1.151 6.490 ( -0.708 -2.715 2.123) 3.519 6.627 ( -5.805 5.293 -3.968) 8.801 6.729 ( -4.542 -5.509 -0.455) 7.155 6.984 ( 0.721 4.973 -0.547) 5.055 7.055 ( -0.908 -2.609 -0.157) 2.767 7.106 ( 0.040 5.270 4.540) 6.956 7.137 ( 0.033 2.186 5.974) 6.361 7.220 ( -2.254 -0.505 5.309) 5.790 7.282 ( 0.542 -6.702 2.976) 7.353 7.414 ( -1.588 2.188 2.175) 3.470 7.507 ( 2.203 -6.745 3.657) 7.982 7.658 ( -0.825 -0.103 -6.167) 6.223 7.665 ( -1.678 -0.857 -6.993) 7.242 8.044 ( -2.482 3.063 2.089) 4.462 8.087 ( -3.499 -1.222 1.826) 4.132 8.297 ( 3.483 3.279 2.462) 5.380 8.359 ( 2.207 -2.994 0.832) 3.811 8.639 ( 1.838 3.902 -7.174) 8.371 8.667 ( -1.112 1.889 -6.983) 7.319 8.904 ( -0.670 3.447 0.040) 3.512 8.957 ( -0.291 -0.106 4.225) 4.237 9.003 ( -1.676 -1.880 -4.494) 5.152 9.018 ( -0.728 -1.877 -2.881) 3.515 9.343 ( -9.523 -0.337 17.701) 20.103 9.394 ( -7.310 -6.086 18.200) 20.536 9.913 ( -5.267 1.321 8.618) 10.186 9.937 ( -5.195 -1.402 9.515) 10.931 10.158 ( -3.393 5.807 3.956) 7.803 10.240 ( -2.416 -0.729 1.202) 2.795 10.361 ( 4.280 1.540 3.595) 5.798 10.450 ( 3.134 -5.226 1.862) 6.372 11.009 ( 1.968 3.474 5.584) 6.865 11.095 ( 3.021 -5.514 6.193) 8.825 11.713 ( -9.251 3.047 -2.810) 10.137 11.748 ( -7.236 -0.681 -2.684) 7.748 12.108 ( -3.056 3.574 1.629) 4.976 12.162 ( -2.538 -2.320 1.369) 3.700 12.736 ( 3.572 15.242 -0.840) 15.677 13.070 ( 10.322 -20.467 -1.740) 22.988 16.545 ( -1.092 5.629 4.332) 7.186 16.668 ( -1.089 -7.117 3.738) 8.112 17.220 ( 0.594 5.404 -3.211) 6.315 17.337 ( -0.470 -6.582 -1.468) 6.760 17.479 ( -2.067 5.807 3.270) 6.977 17.585 ( -1.516 -4.772 0.846) 5.078 18.104 ( 0.508 3.506 -8.023) 8.771 18.145 ( 2.800 -1.268 -8.781) 9.303 19.240 ( 0.857 2.672 0.577) 2.865 19.298 ( 4.124 -3.258 0.013) 5.255 19.695 ( -1.792 6.859 -8.139) 10.793 19.791 ( 1.298 -3.435 -6.356) 7.340 24.025 ( -1.726 6.102 1.704) 6.566 24.157 ( -1.778 -7.056 2.743) 7.776 24.365 ( 8.039 8.676 -2.456) 12.080 24.541 ( 10.447 -9.168 -1.938) 14.034 26.379 ( -3.540 10.149 -1.797) 10.898 26.541 ( -3.980 -4.800 -3.104) 6.965 26.973 ( 2.762 18.636 -6.574) 19.954 27.352 ( 10.669 -20.069 -10.616) 25.085 28.495 ( 0.356 0.945 -3.656) 3.793 28.512 ( 0.149 -0.766 -3.762) 3.842 28.616 ( 1.364 1.452 -3.611) 4.124 28.641 ( 1.049 -1.202 -3.973) 4.281 35.081 ( -5.356 1.907 17.247) 18.160 35.192 ( -11.271 -11.330 28.385) 32.574 35.730 ( -3.323 3.946 12.283) 13.323 35.811 ( -4.611 -4.412 14.918) 16.226 38.604 ( -4.289 0.475 4.593) 6.302 38.619 ( -3.209 -0.979 5.387) 6.347 40.746 ( -17.574 25.396 -28.671) 42.141 41.060 ( -9.999 -9.840 -23.183) 27.097 ======================= Grid point 65 (36/111) ======================= q-point: ( 0.22 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 12.387 10.630 8.515) 18.410 1.487 ( 2.120 -3.466 15.759) 16.274 1.592 ( 0.551 1.904 19.271) 19.372 1.775 ( -5.288 -10.253 23.535) 26.211 1.934 ( 0.123 13.276 10.938) 17.202 2.143 ( 0.101 -7.955 1.966) 8.195 2.395 ( 7.907 8.258 -9.373) 14.784 2.555 ( 2.607 -7.677 -6.182) 10.195 2.982 ( 3.325 2.766 -3.881) 5.811 3.038 ( 1.010 -2.720 1.078) 3.095 3.390 ( 1.673 3.029 13.321) 13.763 3.429 ( 0.166 -1.864 17.871) 17.969 3.647 ( -1.601 2.722 10.472) 10.938 3.718 ( -0.927 -3.824 6.607) 7.690 4.148 ( 2.407 5.189 5.055) 7.633 4.238 ( 3.263 -3.832 2.974) 5.846 4.745 ( -1.994 2.829 -7.220) 8.006 4.795 ( -0.307 -2.382 -8.479) 8.812 5.293 ( 2.828 3.872 11.470) 12.432 5.379 ( 3.269 -4.720 10.047) 11.572 5.867 ( 0.774 5.126 -5.427) 7.505 5.947 ( -0.604 -0.581 0.440) 0.947 6.151 ( 0.986 1.540 -2.138) 2.814 6.225 ( -1.712 -2.941 -1.706) 3.806 6.439 ( -3.505 0.358 -3.810) 5.189 6.452 ( -2.440 -2.074 0.205) 3.209 6.535 ( -1.194 3.766 -2.143) 4.495 6.657 ( -3.170 -8.456 2.423) 9.350 6.979 ( -0.653 3.822 -1.215) 4.063 7.037 ( -0.546 -2.027 0.007) 2.099 7.127 ( -1.239 5.587 2.977) 6.451 7.158 ( -3.004 4.681 3.670) 6.664 7.174 ( -2.180 0.495 6.715) 7.077 7.317 ( 1.587 -8.221 3.270) 8.989 7.391 ( -1.756 5.490 2.614) 6.329 7.545 ( -0.456 -7.974 5.008) 9.427 7.627 ( 0.733 0.247 -3.865) 3.942 7.649 ( 1.327 -1.928 -2.279) 3.266 7.992 ( -3.136 1.018 -0.232) 3.306 8.006 ( -4.658 -0.239 2.821) 5.451 8.378 ( 3.626 2.314 0.327) 4.314 8.415 ( 2.994 -1.487 -0.854) 3.450 8.579 ( -4.329 9.344 -4.531) 11.251 8.638 ( 1.647 1.612 -7.185) 7.545 8.861 ( -3.161 -0.568 0.801) 3.310 8.913 ( -6.266 -5.207 4.664) 9.388 8.969 ( 0.176 1.208 -1.467) 1.909 9.014 ( 0.680 -3.286 -2.120) 3.969 9.258 ( -6.559 3.691 12.541) 14.626 9.362 ( -4.184 -6.834 12.174) 14.575 9.894 ( -2.091 1.233 10.285) 10.568 9.911 ( -2.887 -0.585 10.775) 11.170 10.115 ( -2.609 4.825 2.701) 6.114 10.196 ( -2.652 -3.544 1.408) 4.645 10.480 ( 5.821 2.320 3.477) 7.166 10.538 ( 4.504 -3.349 2.751) 6.251 11.061 ( 0.271 4.144 5.333) 6.760 11.157 ( 0.371 -5.686 5.267) 7.759 11.513 ( -8.887 5.075 -3.247) 10.737 11.580 ( -7.788 -2.076 -4.142) 9.062 12.090 ( -0.769 3.087 2.382) 3.974 12.142 ( -0.925 -2.393 2.105) 3.318 12.775 ( 1.425 18.433 -2.456) 18.650 13.167 ( 1.955 -22.700 -4.999) 23.326 16.545 ( -1.290 5.473 4.620) 7.277 16.665 ( -1.232 -6.926 3.819) 8.005 17.209 ( -0.261 4.081 -1.996) 4.550 17.312 ( -1.520 -6.423 -0.849) 6.655 17.459 ( -1.315 5.411 2.250) 6.006 17.562 ( -0.784 -4.921 0.088) 4.983 18.075 ( 0.350 5.313 -6.370) 8.302 18.156 ( 2.438 -3.635 -7.570) 8.744 19.264 ( 1.065 5.244 0.433) 5.369 19.371 ( 3.181 -5.668 -0.158) 6.501 19.628 ( -0.806 10.676 -7.154) 12.877 19.790 ( 2.087 -6.289 -6.511) 9.290 23.991 ( -2.662 6.529 2.144) 7.369 24.132 ( -2.377 -7.531 3.055) 8.468 24.507 ( 7.814 12.967 -3.589) 15.558 24.758 ( 12.535 -12.651 -3.297) 18.112 26.326 ( -0.943 9.353 -1.580) 9.533 26.484 ( -0.806 -5.484 -1.288) 5.691 26.986 ( 1.244 21.579 -4.226) 22.024 27.442 ( 3.996 -24.720 -9.952) 26.946 28.479 ( 0.083 0.614 -3.725) 3.776 28.494 ( 0.370 -0.779 -4.820) 4.897 28.626 ( 1.526 1.303 -3.842) 4.334 28.642 ( 1.251 -0.622 -4.248) 4.472 35.067 ( -4.794 0.536 16.044) 16.753 35.121 ( -9.682 -5.734 24.541) 26.998 35.725 ( -3.611 3.718 12.142) 13.201 35.794 ( -4.471 -3.235 13.486) 14.571 38.531 ( -5.035 0.793 3.894) 6.414 38.571 ( -4.345 -2.946 5.431) 7.553 40.310 ( -13.757 29.705 -18.002) 37.359 40.729 ( -11.540 -15.154 -18.880) 26.819 ======================= Grid point 66 (37/111) ======================= q-point: ( 0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 8.290 8.053 9.508) 14.966 1.584 ( -2.335 4.135 23.707) 24.178 1.719 ( 2.902 -1.957 10.910) 11.458 1.779 ( -2.894 -7.051 18.464) 19.975 2.007 ( 0.810 5.486 9.974) 11.412 2.157 ( -1.812 -9.227 7.982) 12.334 2.486 ( 6.472 5.971 -10.393) 13.622 2.575 ( 3.469 -3.267 -7.811) 9.150 3.012 ( 1.899 2.261 -5.850) 6.553 3.067 ( 2.036 -3.262 -2.209) 4.435 3.470 ( -0.007 4.408 11.713) 12.515 3.506 ( -1.480 0.019 17.619) 17.681 3.663 ( -2.452 1.167 10.268) 10.621 3.724 ( -1.929 -3.840 5.956) 7.344 4.193 ( -0.463 5.403 3.440) 6.422 4.285 ( 0.467 -3.980 0.316) 4.020 4.681 ( -0.933 3.609 -3.933) 5.419 4.747 ( -0.378 -3.322 -3.865) 5.111 5.437 ( 5.270 3.725 10.836) 12.612 5.514 ( 4.549 -4.143 10.288) 11.987 5.882 ( 2.933 5.062 -3.936) 7.051 5.950 ( 0.047 0.291 1.912) 1.935 6.149 ( 0.438 0.547 -5.003) 5.052 6.172 ( -2.274 0.143 -4.174) 4.755 6.355 ( -1.653 2.175 -2.445) 3.666 6.425 ( -0.470 -4.525 0.642) 4.595 6.525 ( 0.633 1.544 -1.218) 2.065 6.631 ( -1.495 -8.913 4.433) 10.066 6.954 ( -2.055 3.660 1.524) 4.466 7.026 ( -2.738 -3.868 1.523) 4.978 7.054 ( -3.633 4.761 2.385) 6.446 7.119 ( -2.619 -0.141 3.619) 4.470 7.200 ( 1.035 7.492 2.099) 7.849 7.358 ( 0.405 -7.447 -0.353) 7.466 7.393 ( 1.329 7.641 3.364) 8.454 7.545 ( -2.729 -3.057 7.072) 8.174 7.634 ( 0.584 -2.239 0.589) 2.387 7.668 ( -0.070 -3.073 2.527) 3.979 7.928 ( -1.906 2.208 -0.441) 2.950 7.977 ( 0.640 -2.838 -0.872) 3.038 8.417 ( -0.424 3.932 -2.172) 4.512 8.443 ( 0.264 -0.018 -1.742) 1.762 8.493 ( -1.540 10.306 -0.522) 10.433 8.635 ( 2.061 -1.318 -7.668) 8.049 8.808 ( -3.590 -4.165 2.905) 6.219 8.817 ( -5.519 -5.409 5.321) 9.383 8.969 ( 0.782 0.762 -2.169) 2.428 9.010 ( 0.277 -3.570 -2.108) 4.155 9.214 ( -3.461 6.233 7.071) 10.042 9.348 ( -3.197 -7.565 9.309) 12.414 9.920 ( -1.606 1.593 12.543) 12.746 9.927 ( -2.122 0.873 12.971) 13.172 10.090 ( -0.739 2.936 0.475) 3.064 10.160 ( -1.749 -4.792 1.833) 5.420 10.597 ( 3.987 3.157 2.798) 5.804 10.650 ( 5.305 -2.287 4.061) 7.062 11.071 ( -1.071 3.487 2.510) 4.428 11.164 ( -1.753 -6.097 2.263) 6.736 11.349 ( -6.213 5.749 -2.791) 8.913 11.424 ( -6.205 -2.226 -3.160) 7.311 12.087 ( -0.868 2.932 2.257) 3.800 12.135 ( -1.031 -2.076 2.073) 3.110 12.781 ( 0.846 17.068 -2.665) 17.296 13.133 ( -1.554 -19.439 -5.574) 20.282 16.543 ( -1.390 5.355 4.901) 7.391 16.661 ( -1.154 -6.860 3.957) 8.004 17.192 ( -0.647 2.614 -1.191) 2.945 17.273 ( -2.017 -5.741 -0.326) 6.093 17.455 ( -0.057 5.152 1.397) 5.338 17.560 ( 0.581 -5.109 -0.688) 5.188 18.055 ( 0.494 5.979 -4.467) 7.480 18.161 ( 1.788 -5.569 -5.962) 8.352 19.278 ( 0.240 6.729 0.061) 6.733 19.414 ( 1.471 -7.236 -0.360) 7.393 19.597 ( 1.058 13.510 -6.042) 14.837 19.804 ( 2.551 -7.943 -6.032) 10.295 23.948 ( -2.700 6.711 1.663) 7.423 24.096 ( -2.634 -8.235 2.382) 8.968 24.618 ( 5.689 17.868 -4.876) 19.376 24.960 ( 10.141 -17.127 -5.778) 20.726 26.322 ( 0.934 8.740 -0.796) 8.825 26.488 ( 1.026 -7.715 0.947) 7.840 26.979 ( 0.145 22.272 -3.191) 22.500 27.424 ( -0.604 -23.333 -6.743) 24.296 28.465 ( 0.566 0.450 -4.178) 4.240 28.478 ( 0.587 -0.796 -5.025) 5.121 28.635 ( 1.484 1.347 -4.063) 4.531 28.646 ( 1.428 -0.038 -4.401) 4.627 35.061 ( -4.126 -0.396 15.196) 15.752 35.075 ( -7.165 -2.100 21.575) 22.830 35.715 ( -3.658 3.550 11.782) 12.837 35.778 ( -3.995 -2.779 12.459) 13.375 38.463 ( -3.665 0.168 3.062) 4.779 38.516 ( -3.900 -4.527 5.065) 7.833 40.045 ( -6.181 27.665 -12.094) 30.820 40.467 ( -6.421 -16.541 -14.473) 22.898 ======================= Grid point 67 (38/111) ======================= q-point: ( 0.44 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -8.836 5.232 27.153) 29.030 1.684 ( -4.857 7.565 5.108) 10.340 1.730 ( -0.671 -0.408 17.192) 17.210 1.941 ( 7.341 -4.915 6.051) 10.708 1.997 ( -7.120 1.883 6.783) 10.013 2.160 ( -2.195 -10.826 10.485) 15.230 2.548 ( 5.354 5.019 -9.139) 11.721 2.611 ( 3.913 -1.608 -7.859) 8.926 2.999 ( 0.039 3.573 -5.039) 6.177 3.080 ( 1.004 -4.535 -4.286) 6.320 3.499 ( -3.254 5.704 9.600) 11.631 3.556 ( -1.459 1.041 12.802) 12.927 3.640 ( -5.573 -0.170 8.979) 10.569 3.702 ( -3.113 -4.438 6.223) 8.253 4.173 ( -1.703 5.715 0.070) 5.964 4.272 ( -0.314 -4.444 -2.898) 5.315 4.674 ( 0.831 4.114 0.293) 4.207 4.751 ( 0.879 -3.814 1.331) 4.134 5.561 ( 0.556 2.810 11.300) 11.658 5.618 ( -0.202 -3.137 10.132) 10.608 5.913 ( -0.005 5.133 0.879) 5.207 5.967 ( 1.244 0.820 1.592) 2.180 6.109 ( 0.284 2.877 -6.349) 6.976 6.152 ( 3.706 -1.827 -7.626) 8.673 6.371 ( 3.238 1.471 1.699) 3.942 6.434 ( 0.023 -3.237 3.622) 4.858 6.553 ( 2.992 -0.827 -1.684) 3.531 6.643 ( 0.305 -8.766 4.967) 10.080 6.905 ( -5.022 2.462 6.791) 8.798 6.951 ( -3.685 -0.236 2.403) 4.405 7.043 ( -0.829 3.725 2.357) 4.485 7.113 ( 1.021 -0.740 0.025) 1.261 7.225 ( 0.918 6.196 0.442) 6.279 7.339 ( -0.886 -4.614 -2.723) 5.431 7.453 ( 2.434 5.429 3.522) 6.914 7.514 ( -4.128 2.713 7.622) 9.083 7.650 ( -1.551 -4.618 4.627) 6.719 7.658 ( -1.464 -5.019 4.557) 6.936 7.932 ( 2.649 4.171 -1.842) 5.273 8.013 ( 3.576 -3.903 -2.135) 5.707 8.352 ( -4.014 8.117 0.281) 9.060 8.415 ( -2.337 -0.806 -3.324) 4.142 8.493 ( 0.819 6.798 -1.549) 7.020 8.642 ( 2.821 -3.592 -7.763) 9.007 8.749 ( -4.044 -4.272 7.634) 9.638 8.769 ( -2.342 -3.878 1.636) 4.817 8.978 ( 1.525 0.091 -2.933) 3.307 9.011 ( 1.116 -3.366 -2.323) 4.239 9.192 ( -1.985 6.442 4.832) 8.294 9.331 ( -3.208 -8.057 8.637) 12.240 9.934 ( -4.230 2.703 15.008) 15.826 9.957 ( -1.933 1.032 12.545) 12.735 10.090 ( 0.575 2.055 -0.463) 2.184 10.157 ( 0.316 -5.697 2.938) 6.417 10.650 ( 0.084 5.515 1.789) 5.799 10.743 ( 0.739 -3.522 3.332) 4.904 11.061 ( -0.137 1.283 -1.219) 1.775 11.108 ( -3.236 -2.592 -0.773) 4.218 11.275 ( -0.443 2.844 -1.860) 3.427 11.327 ( -1.948 -1.386 -0.212) 2.400 12.080 ( -0.902 2.796 2.109) 3.617 12.126 ( -0.904 -1.885 1.990) 2.886 12.788 ( 1.127 14.906 -2.171) 15.105 13.090 ( 0.430 -16.208 -4.487) 16.824 16.543 ( -1.295 5.403 5.129) 7.561 16.662 ( -0.922 -6.968 4.258) 8.218 17.175 ( -0.478 1.605 -1.193) 2.057 17.239 ( -1.190 -4.957 -0.453) 5.118 17.465 ( 0.225 5.035 1.262) 5.196 17.569 ( 0.624 -5.029 -1.107) 5.187 18.053 ( 1.235 5.921 -2.803) 6.666 18.168 ( 1.759 -6.513 -4.563) 8.145 19.277 ( -0.179 7.439 -0.307) 7.448 19.428 ( 0.330 -8.123 -0.568) 8.149 19.601 ( 2.003 14.727 -5.081) 15.707 19.824 ( 2.417 -8.472 -5.230) 10.245 23.909 ( -1.853 6.558 0.739) 6.855 24.059 ( -2.089 -8.660 1.298) 9.003 24.669 ( 2.383 20.756 -6.345) 21.834 25.065 ( 4.034 -19.794 -8.617) 21.962 26.348 ( 1.666 8.431 0.614) 8.616 26.520 ( 1.087 -9.022 2.843) 9.521 26.966 ( 0.176 21.791 -2.741) 21.963 27.382 ( -0.188 -21.139 -4.096) 21.533 28.460 ( 1.247 0.165 -4.521) 4.693 28.468 ( 0.948 -0.550 -4.707) 4.833 28.641 ( 1.320 1.444 -4.211) 4.643 28.651 ( 1.381 0.220 -4.393) 4.610 35.062 ( -4.076 -0.602 16.252) 16.766 35.064 ( -4.744 -0.779 19.545) 20.128 35.705 ( -3.468 3.492 11.313) 12.337 35.767 ( -3.518 -2.851 11.826) 12.664 38.423 ( -1.898 -0.381 2.372) 3.062 38.479 ( -2.382 -5.224 4.573) 7.340 39.937 ( 0.434 26.187 -9.467) 27.849 40.346 ( 0.824 -16.530 -11.412) 20.104 ======================= Grid point 68 (39/111) ======================= q-point: (-0.44 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -11.878 4.311 23.505) 26.686 1.561 ( -9.384 3.188 3.199) 10.414 1.769 ( -5.254 0.647 19.734) 20.431 1.822 ( -12.748 -0.765 6.764) 14.452 2.044 ( -0.576 3.083 5.765) 6.563 2.198 ( 1.405 -11.659 8.685) 14.606 2.583 ( 2.640 4.467 -9.629) 10.938 2.627 ( 1.945 -0.383 -9.297) 9.506 2.979 ( 0.498 4.443 -3.858) 5.905 3.080 ( 1.486 -5.089 -3.588) 6.401 3.415 ( -9.574 5.238 6.312) 12.607 3.509 ( -9.611 -4.122 4.974) 11.580 3.598 ( -2.152 4.447 11.090) 12.141 3.692 ( -1.802 -4.863 8.023) 9.554 4.150 ( -0.426 6.293 -1.049) 6.394 4.262 ( 0.687 -5.085 -3.484) 6.202 4.699 ( 1.175 4.056 1.222) 4.396 4.773 ( 0.187 -3.471 1.950) 3.986 5.557 ( -6.166 2.099 10.972) 12.759 5.601 ( -6.005 -2.309 9.030) 11.087 5.901 ( -1.569 6.046 3.663) 7.241 5.991 ( -0.690 -2.193 4.158) 4.751 6.139 ( 5.595 4.216 -7.122) 9.991 6.217 ( 5.011 -3.386 -3.866) 7.178 6.463 ( 2.655 0.925 6.006) 6.631 6.488 ( 5.382 -2.024 3.207) 6.583 6.611 ( 3.574 -0.417 -0.901) 3.709 6.690 ( 1.594 -7.343 3.752) 8.398 6.858 ( -3.296 2.996 7.878) 9.050 6.914 ( -2.251 -1.674 5.806) 6.449 7.037 ( -0.438 5.353 -0.471) 5.391 7.126 ( -0.032 -1.039 -1.552) 1.868 7.237 ( -0.271 4.406 0.374) 4.430 7.322 ( 1.438 -2.416 -3.623) 4.585 7.446 ( -4.915 4.830 6.963) 9.797 7.521 ( -0.798 -2.180 4.437) 5.008 7.629 ( 0.425 -0.729 4.581) 4.658 7.690 ( 1.026 -5.450 5.073) 7.516 7.987 ( 3.044 5.457 -0.472) 6.267 8.079 ( 3.746 -3.626 -1.032) 5.315 8.279 ( -3.412 5.227 -1.565) 6.435 8.327 ( -4.010 -0.891 -5.003) 6.473 8.501 ( 1.119 9.316 -1.510) 9.504 8.661 ( 3.011 -3.664 -7.898) 9.212 8.732 ( -1.861 -2.517 6.115) 6.870 8.743 ( -1.009 -3.933 2.777) 4.920 8.996 ( 1.776 0.142 -2.863) 3.372 9.031 ( 2.003 -3.618 -2.314) 4.739 9.189 ( -0.945 5.487 5.640) 7.925 9.320 ( -2.630 -8.331 10.310) 13.513 9.919 ( -4.459 3.137 13.251) 14.329 9.966 ( -3.726 -1.060 12.636) 13.216 10.107 ( 1.020 3.781 1.210) 4.099 10.195 ( 1.266 -6.171 4.906) 7.985 10.614 ( -3.957 4.473 -0.530) 5.996 10.688 ( -6.314 -2.781 0.031) 6.899 11.027 ( -1.936 1.768 -0.867) 2.761 11.087 ( -0.216 -4.554 -1.383) 4.765 11.300 ( 4.527 5.088 -0.368) 6.820 11.373 ( 5.712 -2.265 0.618) 6.176 12.074 ( -0.833 2.875 1.859) 3.524 12.123 ( -0.463 -2.152 1.863) 2.884 12.800 ( 1.157 15.786 -1.594) 15.908 13.114 ( 3.827 -16.664 -3.370) 17.426 16.545 ( -1.178 5.584 5.203) 7.723 16.668 ( -0.806 -7.155 4.561) 8.523 17.162 ( 0.025 1.795 -1.824) 2.559 17.228 ( 0.487 -4.848 -0.966) 4.968 17.473 ( -0.242 4.821 1.600) 5.085 17.568 ( -0.048 -4.378 -1.057) 4.504 18.075 ( 2.177 5.393 -1.907) 6.121 18.183 ( 1.999 -6.249 -3.987) 7.677 19.269 ( -0.374 7.439 -0.705) 7.482 19.423 ( -0.595 -8.275 -0.870) 8.342 19.619 ( 2.401 14.629 -4.308) 15.438 19.842 ( 1.991 -8.517 -4.453) 9.815 23.888 ( -0.400 6.286 -0.101) 6.300 24.034 ( -0.885 -8.537 0.326) 8.589 24.645 ( -1.105 20.063 -7.423) 21.421 25.023 ( -3.146 -18.748 -10.287) 21.615 26.386 ( 1.332 8.522 2.350) 8.940 26.555 ( 0.595 -8.303 4.311) 9.375 26.957 ( 0.403 21.847 -3.324) 22.102 27.386 ( 2.736 -22.208 -4.660) 22.856 28.464 ( 1.418 -0.144 -4.438) 4.662 28.469 ( 1.692 -0.353 -4.396) 4.724 28.643 ( 1.064 1.526 -4.218) 4.610 28.654 ( 1.184 0.203 -4.337) 4.501 35.071 ( -3.580 0.005 16.153) 16.545 35.086 ( -3.921 -1.463 21.950) 22.345 35.698 ( -3.097 3.534 10.947) 11.913 35.763 ( -3.071 -3.087 11.506) 12.302 38.415 ( -0.144 -0.073 2.120) 2.126 38.473 ( -0.517 -5.213 4.231) 6.734 39.965 ( 7.286 27.015 -8.326) 29.193 40.384 ( 8.723 -16.826 -9.758) 21.318 ======================= Grid point 69 (40/111) ======================= q-point: (-0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -14.261 5.129 5.346) 16.070 1.410 ( -9.179 -0.775 11.840) 15.001 1.627 ( -12.519 3.509 16.241) 20.804 1.750 ( -7.618 -6.768 22.409) 24.617 2.020 ( -4.391 12.186 7.001) 14.724 2.266 ( 0.795 -12.059 6.896) 13.914 2.547 ( -0.640 4.375 -11.047) 11.900 2.591 ( 0.182 -0.769 -11.853) 11.879 2.987 ( 1.791 5.997 -1.522) 6.441 3.090 ( 0.169 -2.804 -3.057) 4.152 3.235 ( -10.920 1.445 6.665) 12.874 3.320 ( -11.093 -5.778 3.591) 13.013 3.609 ( -2.574 4.183 10.289) 11.401 3.698 ( -1.943 -4.630 7.709) 9.200 4.132 ( -1.259 6.533 -0.911) 6.716 4.246 ( -0.975 -5.113 -3.031) 6.023 4.734 ( 2.198 2.618 -0.364) 3.438 4.776 ( 0.002 -1.729 -1.061) 2.028 5.469 ( -8.210 1.587 11.639) 14.332 5.508 ( -7.814 -2.137 9.295) 12.330 5.904 ( -0.520 6.854 5.624) 8.881 6.001 ( -0.198 -1.972 5.212) 5.576 6.212 ( 4.234 0.378 -3.153) 5.292 6.268 ( 1.335 -4.704 -1.609) 5.148 6.568 ( 4.799 2.392 5.814) 7.909 6.611 ( 2.970 -1.456 4.867) 5.885 6.671 ( 1.978 0.104 2.216) 2.972 6.712 ( 0.541 -2.607 -0.542) 2.717 6.868 ( 0.624 3.023 7.019) 7.668 6.929 ( 0.655 -3.323 5.313) 6.301 7.020 ( -0.888 4.214 -0.846) 4.389 7.096 ( -1.645 -1.600 -1.923) 2.994 7.223 ( -0.689 5.462 -0.709) 5.551 7.335 ( 0.925 -2.333 -3.661) 4.439 7.398 ( -3.497 1.643 6.470) 7.536 7.489 ( -3.046 -4.811 4.692) 7.378 7.724 ( 5.644 -0.040 3.308) 6.542 7.749 ( 2.620 -2.352 4.929) 6.057 8.030 ( 0.492 4.967 2.769) 5.708 8.118 ( -1.850 -3.908 1.708) 4.649 8.203 ( -0.245 3.411 -7.454) 8.201 8.240 ( -1.283 -0.841 -7.029) 7.194 8.533 ( 3.158 11.104 -1.955) 11.709 8.672 ( 1.783 -1.822 -5.910) 6.437 8.732 ( -0.396 -0.903 3.961) 4.082 8.765 ( 1.216 -4.844 3.312) 5.993 9.014 ( 1.482 1.003 -2.554) 3.119 9.059 ( 2.074 -3.748 -2.699) 5.063 9.216 ( -0.118 4.642 9.397) 10.482 9.340 ( -1.741 -8.556 13.812) 16.340 9.905 ( -3.456 2.675 12.250) 13.006 9.957 ( -3.023 -2.601 11.259) 11.944 10.141 ( 0.951 5.402 4.734) 7.245 10.245 ( 0.700 -5.792 6.434) 8.685 10.510 ( -5.790 1.614 -1.797) 6.273 10.551 ( -6.506 -2.339 -1.645) 7.106 10.989 ( -1.748 2.923 -0.794) 3.497 11.061 ( -1.352 -4.677 -1.776) 5.182 11.431 ( 8.222 6.595 1.083) 10.595 11.522 ( 8.566 -3.057 1.448) 9.210 12.065 ( -0.887 3.283 1.412) 3.682 12.124 ( -0.299 -2.808 1.647) 3.269 12.814 ( 0.703 17.892 -1.091) 17.939 13.173 ( 3.136 -19.583 -3.752) 20.184 16.549 ( -1.190 5.768 5.008) 7.731 16.675 ( -0.919 -7.340 4.606) 8.714 17.160 ( 1.034 3.101 -2.724) 4.255 17.246 ( 1.934 -5.511 -1.530) 6.037 17.473 ( -0.596 4.818 2.076) 5.280 17.562 ( 0.021 -3.745 -0.529) 3.783 18.111 ( 2.442 4.711 -2.171) 5.733 18.199 ( 1.662 -4.743 -4.576) 6.797 19.253 ( -0.868 6.638 -1.118) 6.787 19.394 ( -1.834 -7.808 -1.360) 8.135 19.652 ( 3.182 13.218 -3.841) 14.128 19.854 ( 1.386 -7.838 -3.915) 8.871 23.894 ( 1.203 5.976 -0.534) 6.119 24.030 ( 0.462 -7.784 -0.236) 7.801 24.560 ( -3.489 15.998 -7.488) 18.005 24.860 ( -7.770 -14.879 -9.916) 19.496 26.417 ( 0.283 9.448 3.721) 10.158 26.587 ( 0.325 -6.659 5.221) 8.468 26.946 ( 0.608 22.503 -5.280) 23.122 27.418 ( 3.279 -25.317 -8.937) 27.047 28.472 ( 1.607 0.097 -3.759) 4.089 28.484 ( 1.991 -0.768 -4.424) 4.912 28.639 ( 0.790 1.518 -4.042) 4.390 28.653 ( 0.979 -0.043 -4.290) 4.400 35.086 ( -3.687 1.119 17.004) 17.435 35.135 ( -3.718 -4.144 26.109) 26.696 35.697 ( -2.660 3.670 10.876) 11.782 35.766 ( -2.655 -3.310 11.697) 12.443 38.442 ( 1.761 0.942 2.463) 3.171 38.502 ( 1.177 -4.544 4.217) 6.310 40.142 ( 15.934 29.408 -8.334) 34.470 40.579 ( 16.434 -16.658 -9.739) 25.345 ======================= Grid point 70 (41/111) ======================= q-point: (-0.22 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -10.450 12.727 4.674) 17.118 1.321 ( -7.124 -2.568 14.489) 16.349 1.507 ( -8.395 2.205 15.609) 17.860 1.710 ( -8.269 -12.116 22.610) 26.951 1.958 ( -6.627 21.693 10.977) 25.199 2.287 ( -1.488 -10.775 3.426) 11.404 2.463 ( -1.792 4.492 -11.416) 12.398 2.532 ( 0.192 -4.116 -10.229) 11.028 3.003 ( -6.885 1.287 5.997) 9.221 3.031 ( 2.243 4.652 -2.864) 5.906 3.087 ( -9.554 -1.739 9.523) 13.601 3.205 ( -0.807 -7.439 -0.518) 7.501 3.605 ( -3.029 4.166 10.033) 11.277 3.693 ( -2.483 -4.554 7.421) 9.054 4.091 ( -2.398 5.901 -0.306) 6.377 4.193 ( -2.866 -4.662 -1.743) 5.743 4.760 ( 0.319 1.042 -4.211) 4.349 4.776 ( 2.454 -0.283 -3.543) 4.319 5.375 ( -7.688 1.027 12.428) 14.649 5.413 ( -6.800 -2.427 10.202) 12.499 5.936 ( 0.140 8.504 8.006) 11.680 6.043 ( 1.682 -1.362 4.880) 5.338 6.245 ( -1.187 -2.851 -3.404) 4.596 6.273 ( 0.992 -5.496 2.732) 6.217 6.590 ( -3.873 2.026 -0.215) 4.376 6.619 ( -2.862 -1.530 -1.516) 3.582 6.722 ( 3.133 3.639 6.023) 7.703 6.793 ( 4.489 -2.907 4.544) 7.018 6.936 ( 2.331 2.585 3.567) 4.984 6.969 ( 1.834 -0.165 0.061) 1.842 7.008 ( -0.335 2.161 3.394) 4.037 7.067 ( -1.208 -1.540 3.177) 3.732 7.212 ( 0.186 3.108 -1.617) 3.508 7.323 ( -0.180 -5.466 -4.579) 7.133 7.365 ( -2.421 2.408 4.644) 5.765 7.462 ( -2.297 -5.166 3.122) 6.459 7.837 ( 4.372 0.873 3.316) 5.556 7.851 ( 5.164 -0.686 3.150) 6.088 8.003 ( -3.855 2.094 -2.927) 5.273 8.024 ( -4.283 -0.039 -5.325) 6.833 8.221 ( 1.443 0.262 -0.323) 1.502 8.226 ( 2.680 -0.302 -0.007) 2.697 8.588 ( 4.038 7.650 -6.066) 10.565 8.679 ( 2.118 -0.769 -5.190) 5.658 8.760 ( 1.163 1.217 4.384) 4.696 8.815 ( 2.566 -3.309 1.617) 4.488 9.027 ( 1.089 1.629 -2.193) 2.940 9.079 ( 1.359 -3.778 -2.636) 4.803 9.283 ( 0.523 3.349 15.043) 15.420 9.385 ( -1.948 -8.038 17.197) 19.082 9.919 ( -1.312 2.278 11.921) 12.207 9.976 ( -0.824 -3.452 10.991) 11.550 10.191 ( 0.628 5.639 8.581) 10.287 10.276 ( -0.979 -1.992 4.946) 5.422 10.394 ( -5.191 -0.668 0.832) 5.299 10.441 ( -3.687 -3.958 -2.304) 5.879 10.950 ( -1.774 2.969 -1.062) 3.618 11.019 ( -2.064 -4.313 -2.000) 5.183 11.618 ( 9.975 6.470 2.853) 12.227 11.694 ( 7.775 -1.997 1.908) 8.251 12.063 ( 0.335 4.188 1.469) 4.450 12.136 ( 0.993 -3.387 1.967) 4.041 12.798 ( -2.138 16.861 -1.215) 17.039 13.153 ( -3.781 -20.656 -5.592) 21.731 16.549 ( -1.287 5.857 4.576) 7.543 16.677 ( -1.175 -7.453 4.277) 8.673 17.175 ( 2.101 4.685 -3.624) 6.284 17.283 ( 2.683 -6.310 -1.735) 7.073 17.475 ( -0.358 5.263 2.592) 5.878 17.568 ( 0.673 -3.726 0.086) 3.788 18.140 ( 2.100 3.713 -3.688) 5.639 18.195 ( 0.671 -2.307 -6.167) 6.618 19.227 ( -1.052 4.938 -1.089) 5.165 19.339 ( -2.984 -6.473 -1.561) 7.297 19.702 ( 4.060 10.178 -4.398) 11.808 19.853 ( 0.534 -5.794 -3.923) 7.018 23.929 ( 2.565 5.553 -0.483) 6.136 24.049 ( 1.693 -6.515 -0.324) 6.739 24.444 ( -4.710 10.419 -6.322) 13.065 24.649 ( -8.750 -10.582 -7.936) 15.859 26.441 ( 0.328 10.795 4.094) 11.550 26.626 ( 0.982 -6.522 5.288) 8.454 26.925 ( 0.980 22.426 -8.384) 23.962 27.391 ( -0.576 -24.856 -14.285) 28.674 28.488 ( 1.821 0.056 -3.028) 3.534 28.497 ( 1.656 -0.573 -4.269) 4.614 28.632 ( 0.503 1.392 -3.750) 4.032 28.649 ( 0.890 -0.546 -4.201) 4.329 35.099 ( -4.251 2.420 18.071) 18.721 35.201 ( -4.591 -9.216 30.616) 32.301 35.705 ( -2.372 3.912 11.183) 12.083 35.780 ( -2.424 -3.678 12.801) 13.538 38.505 ( 3.162 1.743 3.276) 4.875 38.557 ( 2.019 -3.213 4.513) 5.896 40.502 ( 26.365 29.227 -11.649) 41.050 40.895 ( 21.110 -13.467 -12.393) 27.939 ======================= Grid point 71 (42/111) ======================= q-point: (-0.11 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -3.681 19.929 5.852) 21.094 1.268 ( -6.736 6.749 17.855) 20.242 1.461 ( -3.463 -6.982 9.519) 12.303 1.671 ( -7.044 -14.579 22.095) 27.392 1.892 ( -6.889 26.564 16.398) 31.969 2.248 ( -2.278 -7.729 -2.565) 8.456 2.373 ( -1.385 4.875 -11.147) 12.245 2.508 ( 0.824 -11.074 -3.773) 11.728 2.923 ( -3.966 0.334 6.044) 7.236 2.980 ( -4.490 -4.534 9.955) 11.825 3.100 ( 2.505 6.515 3.898) 7.994 3.210 ( 0.832 -4.590 0.398) 4.682 3.600 ( -2.688 3.889 10.481) 11.498 3.684 ( -2.315 -4.340 7.594) 9.048 4.049 ( -1.746 4.855 0.247) 5.165 4.135 ( -2.276 -4.122 -0.328) 4.720 4.743 ( 1.218 2.451 -6.337) 6.903 4.798 ( 2.057 -2.718 -5.177) 6.198 5.303 ( -6.419 1.393 12.531) 14.148 5.353 ( -5.037 -3.201 10.456) 12.039 5.980 ( -0.501 10.741 8.994) 14.018 6.101 ( 2.055 -0.885 2.236) 3.164 6.160 ( -4.517 0.255 -5.884) 7.422 6.303 ( -0.926 -12.682 6.692) 14.369 6.517 ( -2.103 1.115 -3.696) 4.396 6.532 ( -3.214 -0.922 -3.868) 5.113 6.782 ( -0.717 4.909 5.210) 7.194 6.866 ( -0.062 -2.833 4.929) 5.686 6.950 ( 0.209 5.811 -2.931) 6.511 7.014 ( 0.675 3.033 5.498) 6.315 7.053 ( 2.291 -2.449 2.126) 3.971 7.092 ( 0.732 -2.669 8.572) 9.008 7.216 ( 1.317 -0.358 -1.553) 2.067 7.265 ( -2.657 -5.055 -5.145) 7.687 7.374 ( 1.123 1.662 2.959) 3.575 7.435 ( -1.653 -4.283 2.572) 5.262 7.860 ( -3.824 2.242 -8.599) 9.674 7.889 ( -3.160 -1.176 -7.336) 8.074 7.961 ( 2.802 1.888 3.093) 4.581 7.986 ( 4.565 -0.337 2.308) 5.127 8.238 ( -0.191 3.059 2.567) 3.998 8.300 ( 2.286 -3.424 4.552) 6.138 8.618 ( 2.723 4.864 -6.643) 8.672 8.696 ( 2.659 -2.416 -7.460) 8.280 8.818 ( 3.186 4.216 0.477) 5.306 8.876 ( 2.496 -1.341 2.487) 3.770 9.034 ( 0.903 1.191 -2.492) 2.905 9.081 ( 0.176 -3.484 -2.469) 4.274 9.369 ( -1.135 0.121 17.902) 17.938 9.430 ( -3.418 -7.139 20.194) 21.690 9.968 ( -0.421 1.689 11.058) 11.194 10.022 ( -1.223 -3.427 11.832) 12.379 10.223 ( -2.000 3.729 2.666) 5.002 10.268 ( -0.890 4.848 7.479) 8.957 10.329 ( -3.030 -4.200 2.085) 5.583 10.399 ( -0.911 -5.565 2.819) 6.304 10.922 ( -0.326 1.896 0.115) 1.927 10.970 ( -1.512 -3.269 -0.792) 3.688 11.800 ( 4.905 1.977 1.774) 5.578 11.823 ( 4.768 -0.248 2.244) 5.276 12.132 ( 6.549 4.649 3.028) 8.583 12.192 ( 3.115 -1.944 2.424) 4.400 12.720 ( -4.529 11.437 -1.158) 12.356 12.962 ( -11.513 -14.293 -5.893) 19.276 16.546 ( -1.261 5.831 4.189) 7.289 16.674 ( -1.265 -7.411 3.818) 8.432 17.199 ( 2.363 5.933 -4.248) 7.670 17.323 ( 2.120 -6.653 -1.557) 7.154 17.486 ( -0.082 5.588 3.222) 6.451 17.586 ( 0.895 -4.107 0.528) 4.236 18.151 ( 1.411 1.940 -6.097) 6.552 18.166 ( 0.552 -0.004 -8.129) 8.148 19.210 ( -0.064 2.753 -0.598) 2.818 19.274 ( -2.773 -3.793 -0.801) 4.766 19.753 ( 3.625 6.006 -6.271) 9.409 19.834 ( -0.261 -2.824 -4.690) 5.481 23.984 ( 3.088 5.302 -0.087) 6.137 24.094 ( 3.123 -5.310 -0.020) 6.160 24.326 ( -4.467 6.212 -3.788) 8.538 24.470 ( -5.626 -8.018 -5.032) 11.012 26.470 ( 0.386 11.185 2.756) 11.526 26.672 ( 0.625 -9.269 3.935) 10.089 26.917 ( 4.592 20.021 -12.513) 24.052 27.256 ( -4.484 -16.042 -14.656) 22.187 28.503 ( 1.095 0.416 -3.673) 3.856 28.509 ( 1.724 -0.403 -2.817) 3.327 28.621 ( 0.343 1.444 -3.567) 3.863 28.645 ( 0.853 -1.098 -3.987) 4.222 35.104 ( -4.983 3.247 18.568) 19.497 35.253 ( -7.074 -14.657 32.716) 36.540 35.717 ( -2.449 4.129 11.746) 12.689 35.801 ( -2.780 -4.623 14.751) 15.706 38.582 ( 2.379 1.565 4.137) 5.022 38.615 ( 1.243 -1.776 4.890) 5.349 40.968 ( 27.143 19.523 -23.171) 40.679 41.200 ( 16.358 -6.904 -18.389) 25.561 ======================= Grid point 90 (43/111) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 5.323 0.000 21.975) 22.610 0.954 ( -0.536 0.000 20.443) 20.450 1.834 ( -1.682 0.000 -9.352) 9.502 1.938 ( 0.155 0.000 -1.723) 1.730 2.084 ( 1.591 0.000 -2.830) 3.246 2.256 ( -7.888 0.000 39.090) 39.878 2.540 ( -4.950 0.000 23.323) 23.843 2.740 ( -3.976 0.000 1.628) 4.297 2.886 ( 3.731 0.000 -5.064) 6.290 3.140 ( -2.027 0.000 15.617) 15.748 3.221 ( 2.402 0.000 3.511) 4.254 3.533 ( 2.592 0.000 16.241) 16.447 3.819 ( -0.514 0.000 -2.096) 2.158 3.877 ( -1.283 0.000 13.307) 13.368 4.028 ( 1.996 0.000 10.340) 10.531 4.138 ( 1.668 0.000 -4.907) 5.182 4.666 ( 0.496 0.000 1.305) 1.396 4.750 ( -2.232 0.000 -5.243) 5.698 5.479 ( -7.005 0.000 -3.610) 7.880 5.600 ( -3.547 0.000 12.445) 12.941 5.732 ( -0.710 0.000 -3.014) 3.096 5.985 ( -1.248 0.000 10.283) 10.358 6.118 ( 0.133 0.000 -15.576) 15.577 6.391 ( 0.183 0.000 3.011) 3.016 6.484 ( -4.040 0.000 -5.587) 6.895 6.499 ( -2.382 0.000 -0.590) 2.454 6.602 ( -4.894 0.000 -1.718) 5.187 6.724 ( 0.869 0.000 -3.837) 3.934 7.056 ( -5.104 0.000 0.730) 5.156 7.118 ( -1.967 0.000 3.372) 3.903 7.157 ( 1.667 0.000 1.513) 2.252 7.225 ( 2.436 0.000 -1.500) 2.860 7.331 ( 1.611 0.000 3.693) 4.029 7.457 ( -5.332 0.000 -2.045) 5.711 7.529 ( 2.238 0.000 13.070) 13.260 7.629 ( 1.713 0.000 -1.024) 1.995 7.715 ( 1.682 0.000 3.866) 4.216 7.724 ( -1.254 0.000 4.917) 5.075 8.039 ( -2.522 0.000 2.273) 3.395 8.087 ( 1.214 0.000 0.683) 1.393 8.231 ( 1.882 0.000 6.222) 6.500 8.388 ( 0.345 0.000 -4.349) 4.363 8.424 ( -0.814 0.000 -2.877) 2.990 8.591 ( 1.805 0.000 -0.362) 1.841 8.799 ( 0.365 0.000 0.783) 0.864 8.922 ( 3.805 0.000 -6.207) 7.281 9.019 ( -0.427 0.000 -7.942) 7.954 9.023 ( 0.361 0.000 1.483) 1.527 9.741 ( -4.211 0.000 10.616) 11.420 9.971 ( -2.253 0.000 1.505) 2.709 9.987 ( -2.732 0.000 -0.336) 2.753 10.091 ( -2.774 0.000 11.352) 11.687 10.148 ( 1.654 0.000 8.019) 8.188 10.490 ( 3.394 0.000 1.415) 3.677 10.531 ( -10.166 0.000 3.017) 10.604 10.707 ( -13.393 0.000 1.513) 13.478 11.040 ( 0.075 0.000 9.255) 9.255 11.380 ( -1.278 0.000 5.288) 5.440 11.691 ( -1.165 0.000 -4.053) 4.217 12.034 ( -23.789 0.000 -3.277) 24.014 12.062 ( -0.849 0.000 4.855) 4.929 12.274 ( -0.041 0.000 2.747) 2.747 12.475 ( -4.696 0.000 0.198) 4.700 12.996 ( 35.556 0.000 -14.992) 38.587 16.545 ( -1.796 0.000 8.092) 8.289 16.957 ( -1.537 0.000 3.224) 3.571 16.995 ( 2.003 0.000 -1.023) 2.249 17.408 ( 0.395 0.000 4.112) 4.131 17.427 ( 4.379 0.000 -10.790) 11.645 17.659 ( -5.005 0.000 5.597) 7.508 17.932 ( 3.213 0.000 -10.073) 10.573 17.980 ( -2.790 0.000 0.237) 2.800 19.225 ( 4.551 0.000 0.375) 4.566 19.291 ( -2.487 0.000 1.782) 3.059 19.375 ( -1.843 0.000 -2.347) 2.984 19.703 ( 0.984 0.000 -7.322) 7.388 23.918 ( 1.236 0.000 0.115) 1.242 24.061 ( 1.134 0.000 -1.628) 1.984 24.408 ( 0.947 0.000 3.277) 3.411 24.610 ( 3.228 0.000 -1.091) 3.407 26.037 ( 2.258 0.000 0.508) 2.314 26.176 ( -3.272 0.000 -1.376) 3.550 26.919 ( -3.400 0.000 3.062) 4.575 27.279 ( 10.114 0.000 -6.946) 12.269 28.375 ( 0.484 0.000 -3.624) 3.656 28.487 ( 0.585 0.000 -2.801) 2.862 28.505 ( 0.647 0.000 -4.511) 4.557 28.573 ( 1.505 0.000 -5.207) 5.420 35.351 ( -4.194 0.000 15.914) 16.457 35.824 ( -2.451 0.000 9.040) 9.366 36.091 ( -3.997 0.000 17.012) 17.476 37.606 ( -19.830 0.000 -17.388) 26.373 38.766 ( -9.311 0.000 5.951) 11.050 38.865 ( 6.221 0.000 13.667) 15.016 38.898 ( 1.673 0.000 0.718) 1.821 40.875 ( 3.492 0.000 -28.413) 28.627 ======================= Grid point 91 (44/111) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 16.854 0.000 15.621) 22.980 1.100 ( 5.014 0.000 15.656) 16.439 1.814 ( 5.103 0.000 -9.542) 10.820 1.954 ( 3.358 0.000 -4.833) 5.885 2.089 ( -0.799 0.000 1.491) 1.692 2.304 ( -6.660 0.000 34.700) 35.333 2.554 ( -5.260 0.000 20.608) 21.269 2.687 ( -3.523 0.000 7.224) 8.038 2.917 ( 2.255 0.000 -6.654) 7.026 3.165 ( -0.570 0.000 11.335) 11.350 3.333 ( 3.092 0.000 9.771) 10.248 3.665 ( 2.452 0.000 14.756) 14.959 3.809 ( 0.334 0.000 -0.193) 0.386 3.878 ( -4.670 0.000 9.752) 10.813 4.137 ( 2.852 0.000 11.903) 12.240 4.195 ( 5.348 0.000 -1.394) 5.527 4.648 ( -4.508 0.000 -7.507) 8.757 4.714 ( 3.440 0.000 1.765) 3.866 5.334 ( -3.563 0.000 -9.678) 10.313 5.614 ( -0.799 0.000 10.959) 10.988 5.731 ( -0.183 0.000 5.581) 5.584 5.976 ( -0.190 0.000 -6.443) 6.446 6.103 ( 0.809 0.000 3.555) 3.646 6.362 ( -5.085 0.000 2.309) 5.585 6.396 ( -2.758 0.000 -4.763) 5.504 6.449 ( -1.729 0.000 -0.245) 1.746 6.504 ( -3.311 0.000 -2.723) 4.287 6.735 ( 2.716 0.000 -5.614) 6.236 6.953 ( -5.038 0.000 0.329) 5.048 7.112 ( -0.888 0.000 3.591) 3.699 7.140 ( -2.994 0.000 0.697) 3.074 7.277 ( 2.494 0.000 -0.161) 2.499 7.338 ( -3.229 0.000 3.882) 5.049 7.380 ( -2.125 0.000 0.771) 2.261 7.594 ( -2.629 0.000 9.376) 9.738 7.609 ( -0.625 0.000 -1.078) 1.246 7.741 ( 1.268 0.000 4.165) 4.354 7.797 ( 1.328 0.000 8.174) 8.282 8.006 ( -1.927 0.000 3.487) 3.984 8.109 ( 0.743 0.000 -2.191) 2.313 8.284 ( -0.372 0.000 7.094) 7.104 8.361 ( 0.160 0.000 -5.969) 5.972 8.387 ( -2.309 0.000 -0.500) 2.362 8.576 ( -2.506 0.000 1.822) 3.098 8.828 ( 1.848 0.000 0.070) 1.849 8.938 ( 1.505 0.000 -8.029) 8.169 8.973 ( -0.316 0.000 -5.983) 5.991 9.046 ( 1.161 0.000 1.548) 1.934 9.658 ( -10.100 0.000 12.653) 16.190 9.919 ( -3.789 0.000 0.348) 3.805 9.929 ( -3.499 0.000 1.698) 3.889 10.102 ( -1.596 0.000 11.283) 11.396 10.220 ( -16.858 0.000 7.095) 18.290 10.271 ( 4.725 0.000 11.758) 12.672 10.580 ( -4.410 0.000 6.361) 7.740 10.582 ( 4.564 0.000 2.968) 5.444 11.096 ( 0.044 0.000 10.306) 10.306 11.338 ( -5.292 0.000 3.645) 6.426 11.618 ( -4.199 0.000 -5.535) 6.947 11.645 ( -14.336 0.000 4.499) 15.025 12.067 ( -0.768 0.000 3.470) 3.554 12.306 ( 1.486 0.000 3.818) 4.097 12.365 ( -6.043 0.000 0.454) 6.060 13.437 ( 17.744 0.000 -23.819) 29.701 16.552 ( -1.638 0.000 7.994) 8.160 16.939 ( -1.789 0.000 2.626) 3.177 17.033 ( 2.189 0.000 -0.560) 2.260 17.419 ( -0.051 0.000 0.015) 0.053 17.463 ( 3.421 0.000 -6.846) 7.653 17.585 ( -4.258 0.000 4.983) 6.555 17.928 ( -2.657 0.000 0.915) 2.811 17.974 ( 6.317 0.000 -11.576) 13.187 19.226 ( -2.477 0.000 0.977) 2.663 19.288 ( -4.873 0.000 -2.753) 5.597 19.370 ( 6.824 0.000 -0.224) 6.828 19.726 ( 4.365 0.000 -6.959) 8.214 23.919 ( -1.194 0.000 0.676) 1.372 24.070 ( 0.721 0.000 -2.184) 2.300 24.439 ( 0.451 0.000 3.400) 3.429 24.736 ( 10.633 0.000 -3.030) 11.056 26.109 ( -2.297 0.000 -2.478) 3.379 26.119 ( 5.453 0.000 1.849) 5.758 26.866 ( -3.403 0.000 1.900) 3.897 27.501 ( 15.681 0.000 -14.480) 21.344 28.364 ( 0.260 0.000 -3.644) 3.653 28.480 ( 0.325 0.000 -3.022) 3.040 28.490 ( 0.173 0.000 -4.659) 4.662 28.572 ( 1.026 0.000 -5.353) 5.450 35.349 ( -4.288 0.000 15.593) 16.172 35.820 ( -2.832 0.000 9.588) 9.998 36.099 ( -4.471 0.000 18.371) 18.907 36.899 ( -43.133 0.000 10.438) 44.377 38.694 ( -1.630 0.000 3.370) 3.743 38.924 ( 0.502 0.000 1.121) 1.228 38.975 ( -1.122 0.000 11.096) 11.152 40.738 ( -2.154 0.000 -28.186) 28.268 ======================= Grid point 92 (45/111) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 5.137 0.000 9.784) 11.051 1.490 ( 17.491 0.000 8.171) 19.305 1.929 ( 10.872 0.000 -8.871) 14.032 2.017 ( 4.673 0.000 -2.436) 5.270 2.066 ( -2.392 0.000 2.373) 3.369 2.345 ( -5.818 0.000 28.242) 28.835 2.547 ( -5.398 0.000 17.491) 18.305 2.680 ( -2.832 0.000 13.402) 13.698 2.899 ( -0.357 0.000 -7.824) 7.832 3.237 ( 1.529 0.000 11.233) 11.336 3.408 ( -0.485 0.000 9.506) 9.518 3.756 ( -1.408 0.000 14.021) 14.091 3.832 ( 1.297 0.000 2.435) 2.759 3.844 ( -1.399 0.000 5.684) 5.854 4.216 ( -1.640 0.000 8.115) 8.279 4.264 ( 1.846 0.000 -4.611) 4.966 4.543 ( -1.548 0.000 -4.067) 4.351 4.809 ( 3.863 0.000 7.569) 8.498 5.283 ( 4.247 0.000 -10.235) 11.081 5.692 ( 3.587 0.000 9.831) 10.465 5.776 ( 0.502 0.000 9.805) 9.818 5.952 ( 2.093 0.000 -9.129) 9.366 6.120 ( -3.866 0.000 8.968) 9.766 6.256 ( -6.656 0.000 3.754) 7.641 6.322 ( -1.475 0.000 -4.996) 5.210 6.422 ( -0.728 0.000 -0.793) 1.076 6.482 ( 2.495 0.000 -2.021) 3.211 6.756 ( 1.864 0.000 -6.797) 7.047 6.876 ( -2.950 0.000 0.498) 2.992 7.092 ( -1.564 0.000 0.777) 1.746 7.121 ( 0.468 0.000 1.537) 1.607 7.254 ( -7.156 0.000 5.509) 9.031 7.303 ( -0.124 0.000 1.252) 1.258 7.359 ( -1.934 0.000 3.448) 3.953 7.537 ( -5.018 0.000 1.689) 5.294 7.608 ( -0.223 0.000 2.543) 2.552 7.798 ( 1.417 0.000 4.757) 4.964 7.841 ( -1.191 0.000 10.020) 10.091 8.003 ( -0.721 0.000 4.728) 4.783 8.066 ( -4.471 0.000 0.948) 4.570 8.272 ( -3.893 0.000 6.342) 7.442 8.356 ( 1.842 0.000 -4.773) 5.116 8.358 ( -0.327 0.000 1.862) 1.890 8.560 ( 0.202 0.000 0.286) 0.350 8.837 ( -0.887 0.000 -1.742) 1.955 8.914 ( 0.728 0.000 -8.281) 8.313 8.954 ( 1.661 0.000 -6.384) 6.597 9.066 ( -0.078 0.000 1.083) 1.086 9.507 ( -11.778 0.000 14.512) 18.690 9.856 ( -2.775 0.000 0.803) 2.889 9.867 ( -3.799 0.000 7.565) 8.465 10.074 ( -3.467 0.000 4.200) 5.446 10.132 ( -1.767 0.000 11.776) 11.908 10.432 ( 4.980 0.000 12.966) 13.889 10.548 ( -2.434 0.000 6.425) 6.870 10.686 ( 4.102 0.000 5.227) 6.644 11.131 ( -1.684 0.000 8.887) 9.045 11.222 ( -7.403 0.000 0.355) 7.412 11.478 ( -6.544 0.000 -6.912) 9.518 11.480 ( -6.484 0.000 4.128) 7.687 12.069 ( -0.832 0.000 3.158) 3.265 12.272 ( -4.010 0.000 2.086) 4.520 12.364 ( 2.429 0.000 3.550) 4.302 13.487 ( 1.496 0.000 -21.118) 21.171 16.563 ( -1.453 0.000 7.861) 7.994 16.919 ( -1.481 0.000 2.678) 3.060 17.066 ( 1.312 0.000 -0.279) 1.341 17.408 ( -0.364 0.000 -2.995) 3.017 17.484 ( 1.819 0.000 -4.105) 4.490 17.557 ( -1.285 0.000 3.918) 4.124 17.895 ( -1.219 0.000 1.401) 1.857 18.046 ( 7.527 0.000 -13.141) 15.144 19.183 ( -2.351 0.000 0.664) 2.443 19.189 ( -3.766 0.000 -2.089) 4.306 19.486 ( 5.241 0.000 -0.633) 5.279 19.778 ( 4.327 0.000 -6.486) 7.796 23.887 ( -2.327 0.000 0.778) 2.453 24.068 ( 0.567 0.000 -2.805) 2.862 24.453 ( -0.934 0.000 3.232) 3.364 24.959 ( 14.309 0.000 -7.724) 16.261 26.070 ( -0.351 0.000 -2.769) 2.791 26.252 ( 6.746 0.000 2.201) 7.096 26.811 ( -3.049 0.000 2.033) 3.664 27.673 ( 9.992 0.000 -16.696) 19.458 28.351 ( 0.434 0.000 -3.710) 3.736 28.466 ( -0.051 0.000 -4.899) 4.899 28.470 ( 0.364 0.000 -3.333) 3.352 28.557 ( 0.459 0.000 -5.631) 5.650 35.345 ( -4.267 0.000 15.178) 15.766 35.811 ( -3.573 0.000 11.078) 11.640 36.104 ( -4.876 0.000 18.948) 19.565 36.244 ( -32.804 0.000 25.613) 41.619 38.702 ( 0.746 0.000 1.001) 1.248 38.925 ( -0.856 0.000 0.347) 0.924 38.958 ( -5.616 0.000 10.264) 11.700 40.538 ( -3.478 0.000 -25.740) 25.974 ======================= Grid point 93 (46/111) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.678 0.000 5.414) 5.668 1.815 ( 13.421 0.000 0.464) 13.429 2.008 ( -5.324 0.000 9.195) 10.625 2.094 ( 9.363 0.000 -8.713) 12.790 2.118 ( 6.120 0.000 -4.508) 7.601 2.367 ( -6.583 0.000 28.373) 29.126 2.530 ( -4.774 0.000 14.911) 15.657 2.690 ( -4.130 0.000 12.984) 13.625 2.842 ( -0.237 0.000 -7.932) 7.936 3.300 ( -2.322 0.000 9.901) 10.170 3.428 ( -0.626 0.000 7.889) 7.913 3.768 ( -2.713 0.000 10.878) 11.212 3.864 ( -2.222 0.000 7.898) 8.205 3.873 ( 0.893 0.000 4.089) 4.186 4.145 ( -5.535 0.000 -1.457) 5.723 4.217 ( -1.009 0.000 -11.382) 11.427 4.571 ( 2.254 0.000 6.451) 6.833 4.929 ( 2.395 0.000 13.462) 13.673 5.393 ( 11.650 0.000 -9.310) 14.913 5.831 ( -0.847 0.000 10.790) 10.823 5.843 ( 5.588 0.000 11.615) 12.889 5.955 ( 1.174 0.000 -4.576) 4.724 6.041 ( -5.236 0.000 2.112) 5.646 6.166 ( -5.193 0.000 7.163) 8.847 6.313 ( 2.741 0.000 -4.825) 5.549 6.422 ( 1.364 0.000 -0.694) 1.530 6.568 ( 6.335 0.000 0.867) 6.394 6.713 ( -2.101 0.000 -7.950) 8.223 6.855 ( 0.303 0.000 -0.320) 0.441 7.088 ( -0.460 0.000 1.489) 1.559 7.134 ( -5.086 0.000 8.594) 9.986 7.157 ( -0.083 0.000 -2.334) 2.335 7.288 ( -3.691 0.000 5.241) 6.410 7.338 ( -0.557 0.000 3.341) 3.387 7.450 ( -3.161 0.000 -3.362) 4.614 7.610 ( -2.512 0.000 7.657) 8.059 7.824 ( -0.740 0.000 1.966) 2.100 7.872 ( -0.679 0.000 11.055) 11.076 7.985 ( -4.940 0.000 4.559) 6.722 8.016 ( -0.851 0.000 5.694) 5.758 8.227 ( -3.437 0.000 5.377) 6.382 8.362 ( 0.550 0.000 -3.397) 3.441 8.379 ( 1.260 0.000 -0.169) 1.271 8.566 ( 0.199 0.000 -0.976) 0.997 8.792 ( -1.275 0.000 -4.548) 4.723 8.891 ( 1.153 0.000 -7.568) 7.656 8.966 ( 3.016 0.000 -7.408) 7.998 9.048 ( -2.248 0.000 1.182) 2.540 9.376 ( -9.363 0.000 15.176) 17.832 9.826 ( -0.841 0.000 1.125) 1.404 9.874 ( -0.759 0.000 10.286) 10.314 10.059 ( -0.453 0.000 2.381) 2.423 10.142 ( -3.369 0.000 11.207) 11.702 10.554 ( -0.768 0.000 8.372) 8.407 10.563 ( 1.297 0.000 11.645) 11.717 10.797 ( 3.479 0.000 8.433) 9.123 11.083 ( -5.217 0.000 -2.647) 5.850 11.120 ( -3.273 0.000 6.004) 6.838 11.324 ( -4.974 0.000 -7.330) 8.859 11.400 ( -4.396 0.000 3.093) 5.375 12.069 ( -0.800 0.000 3.638) 3.725 12.229 ( -2.167 0.000 3.458) 4.081 12.427 ( 2.369 0.000 1.994) 3.096 13.361 ( -2.723 0.000 -16.891) 17.109 16.572 ( -1.816 0.000 7.858) 8.065 16.916 ( -0.333 0.000 3.086) 3.103 17.078 ( 0.098 0.000 -0.137) 0.169 17.373 ( -1.200 0.000 -4.579) 4.733 17.495 ( 1.151 0.000 -2.823) 3.048 17.562 ( -0.361 0.000 3.306) 3.326 17.898 ( 0.700 0.000 1.530) 1.682 18.122 ( 7.168 0.000 -13.763) 15.518 19.128 ( -1.619 0.000 -1.050) 1.930 19.145 ( -1.843 0.000 0.318) 1.871 19.563 ( 3.106 0.000 -0.483) 3.143 19.824 ( 3.645 0.000 -5.712) 6.776 23.843 ( -2.405 0.000 0.382) 2.436 24.068 ( 1.153 0.000 -3.588) 3.769 24.429 ( -3.255 0.000 3.250) 4.599 25.168 ( 11.900 0.000 -13.216) 17.784 26.070 ( 1.888 0.000 -2.719) 3.310 26.371 ( 4.034 0.000 -0.082) 4.035 26.787 ( -0.615 0.000 4.855) 4.893 27.727 ( 3.948 0.000 -12.411) 13.023 28.345 ( 0.883 0.000 -3.753) 3.855 28.442 ( 0.372 0.000 -5.409) 5.422 28.462 ( 0.588 0.000 -3.651) 3.699 28.538 ( 0.728 0.000 -5.861) 5.906 35.339 ( -4.168 0.000 14.864) 15.437 35.789 ( -7.222 0.000 19.608) 20.895 35.904 ( -15.216 0.000 21.698) 26.501 36.103 ( -5.089 0.000 18.431) 19.121 38.724 ( 1.533 0.000 -1.509) 2.151 38.884 ( -7.076 0.000 10.615) 12.757 38.897 ( -1.702 0.000 -1.363) 2.181 40.374 ( -0.275 0.000 -22.240) 22.242 ======================= Grid point 94 (47/111) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.875 0.000 3.540) 4.006 1.952 ( -5.295 0.000 9.309) 10.709 1.985 ( 4.075 0.000 -6.302) 7.505 2.158 ( 1.775 0.000 -5.519) 5.798 2.200 ( 3.238 0.000 0.085) 3.239 2.388 ( -7.513 0.000 32.450) 33.309 2.515 ( -4.279 0.000 13.272) 13.945 2.643 ( -3.577 0.000 3.027) 4.686 2.842 ( 2.511 0.000 -2.831) 3.784 3.224 ( -8.431 0.000 6.030) 10.366 3.481 ( 0.991 0.000 7.144) 7.213 3.739 ( -6.840 0.000 4.474) 8.174 3.823 ( -4.633 0.000 11.790) 12.668 3.900 ( -0.435 0.000 4.402) 4.423 4.049 ( -2.732 0.000 -2.457) 3.674 4.169 ( 2.543 0.000 -11.997) 12.264 4.642 ( 0.425 0.000 9.122) 9.132 5.011 ( -1.644 0.000 14.009) 14.105 5.605 ( 14.129 0.000 -8.151) 16.311 5.837 ( -3.744 0.000 9.182) 9.916 5.886 ( -7.243 0.000 10.039) 12.379 5.937 ( -1.928 0.000 4.097) 4.528 6.100 ( 10.781 0.000 -2.837) 11.148 6.132 ( -3.104 0.000 10.312) 10.769 6.373 ( 6.023 0.000 -4.806) 7.705 6.476 ( 3.971 0.000 1.884) 4.395 6.621 ( -2.540 0.000 -8.378) 8.755 6.711 ( 6.864 0.000 2.258) 7.226 6.861 ( 0.269 0.000 -0.979) 1.016 7.054 ( -3.128 0.000 -1.142) 3.330 7.061 ( -5.622 0.000 10.640) 12.034 7.184 ( 3.139 0.000 -5.970) 6.745 7.223 ( -5.220 0.000 8.054) 9.598 7.342 ( -2.248 0.000 -6.520) 6.897 7.452 ( 5.752 0.000 6.200) 8.458 7.592 ( -3.754 0.000 9.407) 10.129 7.791 ( -2.921 0.000 0.375) 2.945 7.924 ( -2.948 0.000 7.409) 7.974 7.934 ( -0.234 0.000 10.770) 10.772 8.021 ( -1.582 0.000 4.681) 4.941 8.204 ( -1.567 0.000 4.682) 4.937 8.333 ( -1.976 0.000 -3.170) 3.736 8.378 ( -1.374 0.000 -1.175) 1.808 8.564 ( 0.673 0.000 -1.544) 1.684 8.762 ( 1.073 0.000 -6.566) 6.653 8.880 ( 1.129 0.000 -5.949) 6.055 8.992 ( 3.725 0.000 -8.345) 9.138 9.004 ( -2.724 0.000 1.589) 3.154 9.307 ( -6.014 0.000 16.535) 17.595 9.835 ( 0.939 0.000 1.788) 2.020 9.921 ( 0.104 0.000 9.197) 9.198 10.078 ( 0.606 0.000 5.655) 5.687 10.115 ( -4.728 0.000 9.160) 10.309 10.584 ( -3.978 0.000 7.547) 8.532 10.604 ( 0.675 0.000 11.049) 11.070 10.837 ( -4.166 0.000 7.039) 8.179 11.065 ( 3.263 0.000 -0.987) 3.410 11.073 ( -3.919 0.000 3.531) 5.276 11.248 ( 2.091 0.000 -4.803) 5.239 11.326 ( -4.545 0.000 1.149) 4.688 12.075 ( -0.863 0.000 4.524) 4.606 12.219 ( -0.793 0.000 4.177) 4.251 12.454 ( -0.591 0.000 -0.153) 0.611 13.272 ( 2.676 0.000 -13.672) 13.931 16.572 ( -2.273 0.000 7.704) 8.032 16.935 ( 0.347 0.000 3.666) 3.683 17.071 ( -0.680 0.000 -0.101) 0.688 17.323 ( -0.909 0.000 -5.924) 5.993 17.495 ( -0.201 0.000 -1.397) 1.412 17.570 ( -0.617 0.000 3.055) 3.117 17.934 ( 2.183 0.000 1.130) 2.459 18.175 ( 5.367 0.000 -13.787) 14.794 19.115 ( 0.571 0.000 -0.223) 0.613 19.119 ( -0.859 0.000 -0.017) 0.860 19.601 ( 1.080 0.000 -0.433) 1.164 19.862 ( 3.194 0.000 -5.052) 5.977 23.803 ( -1.796 0.000 -0.026) 1.796 24.077 ( 1.866 0.000 -4.486) 4.859 24.366 ( -4.812 0.000 3.730) 6.088 25.252 ( 4.284 0.000 -16.744) 17.284 26.111 ( 3.504 0.000 -2.618) 4.374 26.385 ( -1.289 0.000 -3.594) 3.819 26.845 ( 2.415 0.000 8.770) 9.096 27.728 ( 2.371 0.000 -8.870) 9.181 28.347 ( 1.337 0.000 -3.715) 3.948 28.430 ( 1.354 0.000 -5.747) 5.905 28.456 ( 0.863 0.000 -3.894) 3.989 28.528 ( 1.338 0.000 -6.149) 6.293 35.336 ( -4.018 0.000 14.765) 15.302 35.760 ( -7.904 0.000 34.753) 35.641 35.828 ( -3.219 0.000 8.987) 9.546 36.095 ( -5.031 0.000 17.085) 17.810 38.731 ( 0.440 0.000 -6.497) 6.512 38.821 ( -4.874 0.000 14.040) 14.862 38.853 ( -1.458 0.000 -3.024) 3.357 40.318 ( 5.504 0.000 -19.308) 20.077 ======================= Grid point 95 (48/111) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -4.325 0.000 3.379) 5.488 1.855 ( -13.024 0.000 -3.831) 13.576 1.901 ( -4.882 0.000 9.947) 11.080 2.173 ( 1.749 0.000 -4.843) 5.149 2.233 ( -0.048 0.000 0.104) 0.114 2.379 ( -10.961 0.000 32.317) 34.126 2.496 ( -5.059 0.000 15.338) 16.151 2.624 ( 0.860 0.000 0.079) 0.863 2.881 ( 2.406 0.000 -2.059) 3.167 3.083 ( -8.348 0.000 5.406) 9.946 3.515 ( -0.816 0.000 5.013) 5.079 3.577 ( -9.731 0.000 3.037) 10.194 3.820 ( -2.951 0.000 12.276) 12.626 3.898 ( -1.749 0.000 3.072) 3.535 4.013 ( -0.853 0.000 -0.241) 0.886 4.171 ( 3.146 0.000 -11.166) 11.601 4.676 ( -1.026 0.000 7.762) 7.829 5.000 ( -6.266 0.000 11.987) 13.526 5.784 ( -5.137 0.000 12.856) 13.844 5.799 ( -6.899 0.000 9.158) 11.466 5.826 ( 11.108 0.000 -12.531) 16.745 5.910 ( -2.388 0.000 5.020) 5.559 6.150 ( 0.216 0.000 9.543) 9.545 6.298 ( 9.237 0.000 -0.319) 9.243 6.490 ( 8.218 0.000 -4.648) 9.441 6.530 ( -2.703 0.000 -3.013) 4.048 6.603 ( 6.799 0.000 2.109) 7.118 6.812 ( 0.828 0.000 3.746) 3.836 6.846 ( -1.243 0.000 -1.059) 1.633 6.989 ( -0.778 0.000 -4.574) 4.640 7.034 ( -3.100 0.000 11.947) 12.343 7.194 ( -2.997 0.000 9.659) 10.113 7.211 ( 3.194 0.000 -7.111) 7.795 7.246 ( -2.120 0.000 -8.402) 8.665 7.553 ( -3.978 0.000 3.985) 5.630 7.638 ( 8.009 0.000 8.335) 11.559 7.734 ( -2.582 0.000 1.054) 2.788 7.913 ( -1.910 0.000 10.541) 10.712 7.998 ( 0.384 0.000 7.150) 7.161 8.001 ( -2.444 0.000 2.368) 3.403 8.205 ( -0.605 0.000 2.575) 2.645 8.260 ( -3.614 0.000 -1.709) 3.998 8.335 ( -1.945 0.000 1.752) 2.617 8.571 ( 0.789 0.000 -3.181) 3.277 8.761 ( 2.030 0.000 -5.671) 6.023 8.871 ( 0.547 0.000 -4.276) 4.311 8.971 ( -1.549 0.000 1.958) 2.496 9.020 ( 3.710 0.000 -8.933) 9.673 9.316 ( -2.227 0.000 18.335) 18.470 9.876 ( 2.030 0.000 2.490) 3.213 9.961 ( 0.302 0.000 4.667) 4.677 10.062 ( -4.574 0.000 6.840) 8.229 10.161 ( 3.213 0.000 14.745) 15.091 10.512 ( -5.514 0.000 2.589) 6.092 10.682 ( 0.610 0.000 13.852) 13.865 10.759 ( -6.936 0.000 5.919) 9.119 11.009 ( -3.997 0.000 1.880) 4.417 11.094 ( 1.905 0.000 -2.594) 3.219 11.243 ( -3.842 0.000 -1.166) 4.015 11.381 ( 10.006 0.000 1.411) 10.105 12.073 ( -2.057 0.000 5.057) 5.460 12.251 ( 1.963 0.000 4.897) 5.275 12.403 ( -3.727 0.000 -1.258) 3.934 13.325 ( 8.974 0.000 -13.742) 16.412 16.565 ( -2.439 0.000 7.390) 7.782 16.960 ( 0.108 0.000 4.041) 4.043 17.048 ( -1.605 0.000 -0.596) 1.712 17.292 ( 1.325 0.000 -6.894) 7.020 17.471 ( -1.940 0.000 0.265) 1.958 17.570 ( -0.880 0.000 3.295) 3.410 17.985 ( 2.521 0.000 0.423) 2.556 18.182 ( 2.529 0.000 -13.774) 14.005 19.113 ( 0.390 0.000 -0.368) 0.537 19.146 ( 2.549 0.000 0.134) 2.552 19.600 ( -0.908 0.000 -0.599) 1.088 19.893 ( 2.447 0.000 -4.997) 5.564 23.778 ( -0.596 0.000 -0.127) 0.610 24.086 ( 1.221 0.000 -4.857) 5.009 24.302 ( -3.395 0.000 4.222) 5.417 25.168 ( -3.768 0.000 -16.414) 16.841 26.167 ( 3.163 0.000 -1.502) 3.502 26.308 ( -4.114 0.000 -4.601) 6.172 26.937 ( 1.561 0.000 9.874) 9.996 27.730 ( 2.765 0.000 -12.226) 12.535 28.357 ( 1.596 0.000 -3.618) 3.954 28.438 ( 2.363 0.000 -4.911) 5.450 28.456 ( 1.173 0.000 -3.920) 4.092 28.527 ( 1.866 0.000 -6.450) 6.715 35.335 ( -3.854 0.000 14.922) 15.412 35.805 ( -3.051 0.000 13.380) 13.724 35.899 ( 2.421 0.000 34.288) 34.373 36.084 ( -4.658 0.000 15.588) 16.269 38.677 ( -2.241 0.000 -3.874) 4.476 38.818 ( -0.288 0.000 -3.694) 3.706 38.845 ( -0.012 0.000 10.691) 10.691 40.388 ( 11.412 0.000 -18.286) 21.555 ======================= Grid point 96 (49/111) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -8.675 0.000 5.804) 10.437 1.514 ( -20.693 0.000 1.124) 20.724 1.878 ( -2.320 0.000 9.853) 10.122 2.154 ( 0.269 0.000 -10.448) 10.451 2.196 ( -2.323 0.000 -4.643) 5.192 2.298 ( -15.275 0.000 38.312) 41.244 2.486 ( -5.571 0.000 21.307) 22.023 2.661 ( 2.511 0.000 0.482) 2.556 2.905 ( 1.162 0.000 -2.722) 2.960 2.982 ( -4.862 0.000 6.555) 8.162 3.437 ( -6.749 0.000 6.249) 9.198 3.493 ( -4.099 0.000 3.939) 5.685 3.826 ( -2.793 0.000 11.517) 11.851 3.871 ( -1.698 0.000 0.942) 1.941 3.995 ( -1.818 0.000 2.311) 2.941 4.168 ( 2.215 0.000 -10.450) 10.683 4.701 ( 0.740 0.000 4.602) 4.661 4.904 ( -8.742 0.000 9.451) 12.874 5.710 ( -6.960 0.000 9.758) 11.986 5.725 ( -6.248 0.000 12.239) 13.742 5.910 ( -1.194 0.000 7.719) 7.811 5.925 ( 4.718 0.000 -12.737) 13.583 6.254 ( 6.236 0.000 5.204) 8.122 6.408 ( 2.695 0.000 -5.783) 6.380 6.455 ( -3.612 0.000 -1.536) 3.925 6.617 ( 5.903 0.000 -1.269) 6.038 6.753 ( 3.904 0.000 1.300) 4.115 6.807 ( -0.578 0.000 0.989) 1.145 6.837 ( 2.821 0.000 5.563) 6.238 6.971 ( -0.478 0.000 -3.852) 3.882 7.055 ( -1.631 0.000 12.884) 12.987 7.141 ( -1.332 0.000 -1.912) 2.330 7.239 ( 3.453 0.000 -7.045) 7.846 7.259 ( 1.808 0.000 4.395) 4.752 7.489 ( -3.417 0.000 0.115) 3.419 7.686 ( -2.372 0.000 4.952) 5.490 7.839 ( 6.775 0.000 6.323) 9.267 7.931 ( -5.294 0.000 -1.876) 5.616 7.931 ( -1.240 0.000 1.898) 2.267 8.001 ( -1.978 0.000 5.320) 5.676 8.199 ( -1.145 0.000 0.379) 1.206 8.225 ( 1.014 0.000 2.570) 2.762 8.359 ( 1.893 0.000 6.858) 7.114 8.551 ( -0.796 0.000 -4.483) 4.553 8.779 ( 1.825 0.000 -2.756) 3.305 8.859 ( 0.348 0.000 -3.570) 3.587 8.965 ( -0.191 0.000 2.142) 2.151 9.042 ( 3.358 0.000 -9.234) 9.826 9.410 ( 1.975 0.000 19.577) 19.676 9.931 ( 2.055 0.000 3.096) 3.716 9.984 ( 0.317 0.000 2.710) 2.729 10.020 ( -2.869 0.000 5.466) 6.173 10.373 ( 9.243 0.000 23.192) 24.966 10.412 ( -5.571 0.000 0.506) 5.594 10.638 ( -7.841 0.000 3.812) 8.718 10.754 ( -1.494 0.000 17.497) 17.561 10.951 ( -2.018 0.000 0.794) 2.168 11.145 ( 3.921 0.000 0.632) 3.972 11.173 ( -2.499 0.000 -2.409) 3.471 11.571 ( 8.174 0.000 0.765) 8.210 12.052 ( -2.450 0.000 5.021) 5.587 12.323 ( -3.627 0.000 -0.943) 3.747 12.343 ( 4.417 0.000 5.736) 7.239 13.419 ( 7.640 0.000 -18.949) 20.432 16.554 ( -2.445 0.000 7.116) 7.525 16.976 ( -0.572 0.000 3.966) 4.007 17.008 ( -1.761 0.000 -1.413) 2.258 17.304 ( 3.636 0.000 -8.365) 9.121 17.430 ( -2.697 0.000 2.398) 3.609 17.576 ( -0.364 0.000 4.628) 4.642 18.027 ( 1.651 0.000 -0.200) 1.664 18.134 ( -0.133 0.000 -13.639) 13.640 19.127 ( 1.251 0.000 -0.914) 1.550 19.211 ( 3.985 0.000 -0.010) 3.985 19.559 ( -3.056 0.000 -0.885) 3.182 19.898 ( 0.649 0.000 -5.611) 5.648 23.782 ( 1.018 0.000 0.066) 1.020 24.070 ( -0.534 0.000 -3.180) 3.224 24.291 ( 0.209 0.000 3.166) 3.173 24.970 ( -8.156 0.000 -12.620) 15.026 26.196 ( -4.882 0.000 -4.109) 6.380 26.212 ( 1.735 0.000 0.201) 1.747 26.992 ( -0.915 0.000 9.087) 9.133 27.679 ( -0.411 0.000 -19.756) 19.761 28.370 ( 1.535 0.000 -3.596) 3.910 28.462 ( 1.474 0.000 -3.592) 3.883 28.469 ( 2.916 0.000 -3.679) 4.695 28.534 ( 2.421 0.000 -6.725) 7.148 35.338 ( -3.766 0.000 15.284) 15.741 35.810 ( -2.202 0.000 9.548) 9.799 36.076 ( -4.103 0.000 14.644) 15.208 36.254 ( 14.648 0.000 41.759) 44.254 38.624 ( -1.569 0.000 -1.974) 2.522 38.807 ( 1.043 0.000 -3.234) 3.398 38.911 ( 1.396 0.000 9.003) 9.110 40.555 ( 15.265 0.000 -19.589) 24.834 ======================= Grid point 97 (50/111) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -12.353 0.000 12.016) 17.233 1.102 ( -23.343 0.000 7.578) 24.542 1.911 ( 0.428 0.000 8.315) 8.326 2.072 ( -2.612 0.000 -12.847) 13.110 2.119 ( -1.841 0.000 -7.618) 7.837 2.221 ( -13.273 0.000 42.750) 44.763 2.494 ( -5.636 0.000 24.198) 24.845 2.723 ( 3.309 0.000 1.375) 3.583 2.893 ( -0.628 0.000 -3.816) 3.867 2.968 ( -0.618 0.000 8.650) 8.672 3.386 ( -3.196 0.000 10.868) 11.328 3.396 ( -7.490 0.000 3.570) 8.298 3.826 ( -2.830 0.000 10.138) 10.525 3.851 ( -0.491 0.000 -0.521) 0.716 3.970 ( -2.288 0.000 4.660) 5.191 4.157 ( 1.653 0.000 -7.782) 7.956 4.749 ( 2.349 0.000 0.968) 2.540 4.780 ( -7.843 0.000 6.678) 10.301 5.644 ( -5.424 0.000 11.468) 12.686 5.673 ( -5.989 0.000 12.851) 14.178 5.895 ( 0.499 0.000 -17.323) 17.330 5.929 ( -1.617 0.000 9.895) 10.026 6.349 ( -2.568 0.000 -12.574) 12.833 6.372 ( -1.317 0.000 4.298) 4.495 6.418 ( 4.805 0.000 -0.549) 4.836 6.684 ( 0.018 0.000 2.043) 2.043 6.754 ( -0.553 0.000 -1.292) 1.405 6.772 ( -3.321 0.000 -5.383) 6.325 6.970 ( 3.968 0.000 -1.618) 4.285 7.013 ( 6.921 0.000 9.019) 11.369 7.095 ( -0.645 0.000 13.706) 13.721 7.164 ( 3.503 0.000 -2.702) 4.424 7.264 ( 2.480 0.000 -7.920) 8.299 7.315 ( 0.780 0.000 9.160) 9.194 7.439 ( -1.107 0.000 1.494) 1.859 7.671 ( -2.428 0.000 5.027) 5.583 7.797 ( -6.328 0.000 -1.558) 6.517 7.855 ( -3.213 0.000 -8.720) 9.293 7.975 ( 4.049 0.000 5.892) 7.149 8.027 ( -0.273 0.000 9.429) 9.433 8.177 ( -1.152 0.000 0.389) 1.216 8.300 ( 4.395 0.000 1.959) 4.811 8.442 ( 3.647 0.000 2.795) 4.594 8.505 ( -1.647 0.000 -3.340) 3.724 8.795 ( 0.654 0.000 -0.749) 0.994 8.854 ( 1.328 0.000 -3.869) 4.091 8.982 ( 0.709 0.000 2.054) 2.173 9.056 ( 2.949 0.000 -9.481) 9.929 9.571 ( 4.323 0.000 16.493) 17.050 9.983 ( 1.219 0.000 5.170) 5.312 10.002 ( -0.111 0.000 3.050) 3.052 10.010 ( -0.786 0.000 3.808) 3.889 10.302 ( -6.344 0.000 1.232) 6.462 10.515 ( -5.763 0.000 1.875) 6.061 10.643 ( 0.485 0.000 14.299) 14.307 10.866 ( 4.630 0.000 8.767) 9.915 11.047 ( 16.635 0.000 25.679) 30.597 11.112 ( -2.853 0.000 -2.382) 3.716 11.241 ( 4.556 0.000 3.359) 5.660 11.686 ( 3.789 0.000 -1.265) 3.994 12.040 ( -1.464 0.000 5.487) 5.679 12.263 ( -2.242 0.000 -0.230) 2.254 12.458 ( 3.986 0.000 4.862) 6.287 13.357 ( -3.714 0.000 -27.582) 27.831 16.544 ( -2.316 0.000 7.213) 7.576 16.976 ( -0.571 0.000 -1.716) 1.809 16.978 ( -1.261 0.000 3.709) 3.917 17.336 ( 4.425 0.000 -10.434) 11.334 17.403 ( -1.691 0.000 4.380) 4.695 17.611 ( 1.032 0.000 6.890) 6.967 18.043 ( 0.053 0.000 -0.493) 0.496 18.049 ( -1.360 0.000 -12.840) 12.911 19.146 ( 1.271 0.000 -1.556) 2.009 19.293 ( 4.497 0.000 -0.598) 4.537 19.474 ( -5.231 0.000 -0.662) 5.273 19.855 ( -1.909 0.000 -6.502) 6.777 23.818 ( 2.557 0.000 0.208) 2.565 24.048 ( -0.218 0.000 -1.581) 1.596 24.326 ( 1.627 0.000 2.406) 2.905 24.759 ( -7.753 0.000 -7.179) 10.566 26.091 ( -3.861 0.000 -2.804) 4.772 26.234 ( 0.187 0.000 1.221) 1.235 26.996 ( -2.800 0.000 7.217) 7.741 27.502 ( -6.474 0.000 -21.664) 22.611 28.378 ( 1.260 0.000 -3.658) 3.869 28.475 ( 1.477 0.000 -3.083) 3.419 28.500 ( 2.011 0.000 -3.779) 4.280 28.552 ( 2.764 0.000 -6.475) 7.040 35.344 ( -3.825 0.000 15.698) 16.158 35.817 ( -2.020 0.000 9.034) 9.257 36.076 ( -3.685 0.000 14.638) 15.095 36.888 ( 29.874 0.000 34.401) 45.562 38.605 ( 0.060 0.000 1.443) 1.445 38.824 ( 1.956 0.000 -2.010) 2.804 38.972 ( -0.027 0.000 6.948) 6.948 40.749 ( 15.161 0.000 -22.691) 27.290 ======================= Grid point 98 (51/111) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -16.287 0.000 17.724) 24.071 0.945 ( -9.094 0.000 19.015) 21.078 1.945 ( -4.266 0.000 -9.147) 10.093 1.947 ( -0.919 0.000 4.793) 4.881 2.072 ( 1.525 0.000 -7.668) 7.818 2.218 ( -9.319 0.000 40.179) 41.245 2.514 ( -5.155 0.000 24.546) 25.081 2.783 ( 0.869 0.000 0.983) 1.312 2.855 ( 0.247 0.000 -4.564) 4.571 3.041 ( 2.327 0.000 12.307) 12.525 3.269 ( -6.655 0.000 3.171) 7.372 3.423 ( 0.145 0.000 15.021) 15.021 3.834 ( -1.372 0.000 10.567) 10.655 3.839 ( -0.351 0.000 -1.824) 1.858 3.969 ( -0.654 0.000 7.580) 7.609 4.149 ( 0.717 0.000 -5.260) 5.308 4.688 ( -4.088 0.000 3.604) 5.450 4.781 ( 0.925 0.000 -2.357) 2.532 5.608 ( -7.214 0.000 9.053) 11.576 5.613 ( -4.352 0.000 12.734) 13.457 5.796 ( -0.809 0.000 -16.232) 16.252 5.951 ( -1.543 0.000 11.607) 11.709 6.225 ( -2.126 0.000 -16.459) 16.596 6.366 ( -0.194 0.000 4.068) 4.073 6.504 ( 2.596 0.000 -0.802) 2.717 6.608 ( -5.519 0.000 -5.108) 7.520 6.691 ( -3.401 0.000 -1.175) 3.598 6.737 ( -0.549 0.000 -1.487) 1.585 7.072 ( 5.746 0.000 -0.081) 5.746 7.088 ( -1.125 0.000 6.885) 6.976 7.173 ( -1.811 0.000 3.131) 3.617 7.202 ( 1.886 0.000 -3.098) 3.627 7.262 ( 2.891 0.000 -0.314) 2.908 7.404 ( 2.705 0.000 12.585) 12.872 7.506 ( 5.894 0.000 5.269) 7.906 7.593 ( -6.469 0.000 -1.267) 6.592 7.727 ( -2.192 0.000 5.506) 5.926 7.756 ( -2.514 0.000 -7.212) 7.638 8.051 ( 0.718 0.000 3.406) 3.481 8.063 ( -0.094 0.000 5.471) 5.472 8.174 ( 0.417 0.000 4.010) 4.031 8.375 ( 2.817 0.000 -1.712) 3.296 8.459 ( -1.304 0.000 -3.097) 3.360 8.525 ( 4.278 0.000 -0.185) 4.282 8.798 ( -0.171 0.000 0.314) 0.358 8.877 ( 3.244 0.000 -4.607) 5.635 9.006 ( 0.700 0.000 1.616) 1.761 9.054 ( 1.598 0.000 -9.457) 9.591 9.707 ( 1.746 0.000 11.523) 11.654 10.001 ( -1.723 0.000 2.987) 3.449 10.013 ( -1.035 0.000 3.267) 3.427 10.039 ( 1.593 0.000 6.590) 6.779 10.188 ( -6.514 0.000 4.429) 7.877 10.456 ( -0.788 0.000 0.717) 1.066 10.624 ( -5.361 0.000 8.768) 10.277 10.895 ( -2.636 0.000 -1.150) 2.876 11.037 ( -3.851 0.000 2.267) 4.469 11.337 ( 2.717 0.000 5.004) 5.694 11.714 ( 0.649 0.000 -2.891) 2.963 11.847 ( 42.652 0.000 20.804) 47.455 12.049 ( -0.728 0.000 5.846) 5.891 12.231 ( -1.475 0.000 -0.054) 1.476 12.518 ( -0.063 0.000 2.257) 2.258 12.967 ( -19.556 0.000 -26.902) 33.259 16.540 ( -1.990 0.000 7.756) 8.008 16.968 ( -1.564 0.000 3.694) 4.012 16.971 ( 0.944 0.000 -1.501) 1.774 17.369 ( 3.756 0.000 -6.739) 7.715 17.408 ( 0.655 0.000 0.306) 0.723 17.671 ( 0.437 0.000 7.195) 7.208 17.965 ( -0.667 0.000 -11.143) 11.163 18.025 ( -1.658 0.000 -0.330) 1.690 19.163 ( 1.652 0.000 -0.916) 1.889 19.366 ( -5.481 0.000 1.024) 5.576 19.366 ( 3.219 0.000 -1.438) 3.526 19.768 ( -2.983 0.000 -7.206) 7.799 23.874 ( 2.956 0.000 0.017) 2.956 24.048 ( 0.823 0.000 -1.245) 1.493 24.370 ( 1.412 0.000 2.735) 3.078 24.623 ( -3.438 0.000 -2.646) 4.339 26.029 ( -1.239 0.000 -1.138) 1.683 26.228 ( -1.538 0.000 0.581) 1.644 26.965 ( -3.437 0.000 4.981) 6.051 27.277 ( -5.076 0.000 -11.939) 12.974 28.381 ( 0.895 0.000 -3.658) 3.766 28.485 ( 1.073 0.000 -2.786) 2.985 28.510 ( 1.245 0.000 -4.304) 4.481 28.568 ( 1.992 0.000 -5.688) 6.026 35.349 ( -4.005 0.000 15.958) 16.453 35.823 ( -2.164 0.000 8.885) 9.144 36.082 ( -3.660 0.000 15.551) 15.976 37.587 ( 25.959 0.000 -0.896) 25.975 38.668 ( 4.500 0.000 10.512) 11.435 38.858 ( 2.199 0.000 -0.511) 2.258 38.938 ( -7.468 0.000 4.109) 8.524 40.878 ( 10.548 0.000 -26.219) 28.261 ======================= Grid point 99 (52/111) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.302 11.463 18.273) 21.573 1.217 ( 1.822 22.333 15.473) 27.230 1.782 ( -1.734 -9.948 0.708) 10.122 1.928 ( -0.565 2.739 -5.025) 5.751 2.055 ( 1.283 -1.769 -6.673) 7.022 2.306 ( -7.392 2.906 30.709) 31.719 2.430 ( -3.280 -8.062 23.756) 25.300 2.794 ( 0.204 1.920 -2.159) 2.896 2.808 ( -2.404 -3.486 4.981) 6.538 3.144 ( -0.117 -6.609 2.273) 6.990 3.268 ( 1.443 9.187 13.438) 16.342 3.535 ( 2.867 -0.133 17.358) 17.593 3.811 ( -1.156 -0.606 0.742) 1.501 3.867 ( -1.487 -1.778 11.219) 11.456 4.042 ( 2.197 2.342 7.535) 8.191 4.156 ( 1.964 1.071 -0.529) 2.298 4.655 ( 0.699 -0.703 0.205) 1.012 4.742 ( -1.586 -1.072 -5.246) 5.584 5.465 ( -6.533 -0.968 0.538) 6.626 5.572 ( -3.697 -2.823 10.532) 11.514 5.740 ( -0.701 1.417 -6.416) 6.608 6.003 ( -1.862 -1.712 -4.987) 5.592 6.103 ( -0.262 2.240 0.598) 2.333 6.375 ( -1.421 -1.679 1.426) 2.622 6.480 ( -1.448 0.172 -0.236) 1.477 6.522 ( -2.464 1.846 -2.837) 4.186 6.645 ( -5.846 2.747 -3.146) 7.185 6.776 ( 0.986 5.452 -3.168) 6.382 7.016 ( -1.860 -5.831 1.815) 6.384 7.115 ( -0.813 -0.076 4.045) 4.127 7.126 ( -1.823 -1.188 -0.294) 2.196 7.201 ( 1.475 -1.404 1.350) 2.443 7.327 ( 0.429 -0.115 5.183) 5.202 7.459 ( -1.784 -1.043 1.605) 2.616 7.486 ( -0.309 -3.031 9.920) 10.377 7.602 ( 2.289 -3.808 3.810) 5.853 7.665 ( -1.550 -3.048 1.470) 3.722 7.716 ( -0.412 -0.870 2.400) 2.586 8.054 ( -1.820 1.721 1.568) 2.955 8.108 ( 1.485 1.627 1.215) 2.516 8.251 ( 2.080 1.584 4.720) 5.396 8.362 ( -0.465 -1.835 -3.572) 4.043 8.475 ( -0.203 3.984 -2.567) 4.744 8.598 ( 1.489 0.547 -2.082) 2.618 8.789 ( 2.027 -0.271 -0.475) 2.099 8.931 ( 2.797 0.728 -5.423) 6.145 8.994 ( -0.546 -2.288 -7.586) 7.942 9.017 ( 0.341 -1.015 0.238) 1.097 9.717 ( -4.431 -1.785 11.272) 12.242 9.879 ( -2.197 -6.431 7.258) 9.943 10.039 ( -2.868 3.733 -1.693) 5.003 10.149 ( 0.812 1.245 4.575) 4.811 10.173 ( -2.170 4.884 10.469) 11.754 10.439 ( 0.431 -4.046 3.024) 5.070 10.521 ( -11.918 -3.625 3.535) 12.949 10.596 ( -8.128 -7.284 7.381) 13.176 11.045 ( 1.139 0.630 9.628) 9.716 11.269 ( 3.401 -8.550 10.071) 13.642 11.729 ( -2.611 3.712 -3.156) 5.528 11.950 ( -9.646 -3.897 1.839) 10.564 12.155 ( -8.222 4.092 -0.183) 9.185 12.265 ( -1.306 -0.903 2.487) 2.950 12.525 ( -2.406 5.066 -0.771) 5.661 12.935 ( 24.039 -5.706 -10.934) 27.018 16.573 ( -1.758 2.961 7.802) 8.528 16.883 ( -1.541 -5.634 4.629) 7.452 17.052 ( 1.882 4.568 -1.457) 5.150 17.447 ( -0.369 1.613 0.959) 1.913 17.465 ( 3.927 2.179 -8.053) 9.221 17.582 ( -2.647 -4.438 4.494) 6.848 17.934 ( 2.475 0.440 -10.057) 10.366 17.988 ( -1.820 -0.054 -3.248) 3.723 19.227 ( 3.706 0.222 0.573) 3.756 19.272 ( -2.133 -1.159 1.519) 2.864 19.474 ( -1.055 7.676 -5.450) 9.473 19.698 ( 0.887 -0.683 -7.409) 7.493 23.951 ( 1.267 3.472 0.507) 3.730 24.104 ( 2.088 4.306 -1.995) 5.184 24.343 ( 0.784 -6.253 2.918) 6.945 24.525 ( 3.618 -7.422 -1.213) 8.346 26.237 ( -2.339 13.154 -2.974) 13.687 26.284 ( 0.193 14.336 -3.845) 14.844 26.871 ( -2.674 -4.695 2.800) 6.086 27.215 ( 9.030 -6.684 -7.238) 13.364 28.392 ( 0.635 1.525 -3.896) 4.231 28.477 ( 0.386 -0.932 -3.157) 3.314 28.514 ( 0.974 0.855 -4.393) 4.580 28.570 ( 1.415 -0.405 -5.048) 5.258 35.373 ( -4.775 2.679 17.097) 17.952 35.857 ( -2.811 3.127 9.971) 10.822 36.024 ( -4.406 -7.248 16.369) 18.436 36.809 ( -13.412 -49.437 16.102) 53.695 38.743 ( -1.795 0.857 7.612) 7.867 38.813 ( -2.644 -0.657 13.066) 13.347 39.735 ( 0.721 47.673 -29.878) 56.267 40.844 ( 3.380 -3.495 -29.330) 29.731 ======================= Grid point 100 (53/111) ======================= q-point: ( 0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 10.682 5.229 16.679) 20.485 1.375 ( 6.641 18.992 11.136) 22.996 1.793 ( 3.710 -6.522 -1.304) 7.616 1.922 ( 2.406 -0.372 -4.813) 5.393 2.052 ( 1.238 -2.013 -4.001) 4.646 2.321 ( -6.146 0.008 26.731) 27.429 2.491 ( -3.346 -4.117 24.175) 24.750 2.734 ( -4.946 2.807 7.390) 9.325 2.838 ( 2.651 -4.787 -4.420) 7.034 3.163 ( -0.365 -5.084 7.276) 8.884 3.372 ( 2.379 7.026 10.203) 12.614 3.677 ( 2.519 0.345 15.946) 16.148 3.806 ( 0.062 -0.177 2.655) 2.662 3.870 ( -3.196 -1.248 8.211) 8.900 4.140 ( 3.008 1.597 9.230) 9.838 4.227 ( 4.218 2.044 2.686) 5.402 4.652 ( -2.976 0.320 -6.738) 7.373 4.704 ( 2.671 -0.980 0.059) 2.845 5.344 ( -3.084 1.318 -7.395) 8.119 5.578 ( -0.586 -3.742 8.987) 9.753 5.730 ( 0.240 0.377 3.585) 3.613 5.940 ( 0.384 -4.023 -10.859) 11.587 6.133 ( -0.099 3.572 8.875) 9.567 6.330 ( -3.278 -2.114 0.449) 3.926 6.431 ( -4.748 1.580 -3.545) 6.133 6.475 ( -1.098 3.942 1.701) 4.432 6.514 ( -4.270 0.049 -4.069) 5.899 6.779 ( 1.325 3.305 -4.916) 6.070 6.967 ( -3.353 0.690 1.028) 3.575 7.102 ( -1.536 -3.650 2.277) 4.568 7.119 ( -0.732 0.966 3.281) 3.497 7.235 ( 0.470 -1.862 2.938) 3.510 7.311 ( -2.833 -1.437 2.347) 3.950 7.419 ( -2.412 2.548 2.508) 4.313 7.536 ( -2.094 -5.392 8.107) 9.959 7.606 ( -0.799 -0.970 0.709) 1.443 7.676 ( 1.186 -4.284 5.102) 6.767 7.771 ( 1.522 -3.493 7.540) 8.448 8.020 ( -2.211 1.552 2.181) 3.472 8.122 ( -0.518 0.563 -1.354) 1.555 8.309 ( 0.545 1.851 5.483) 5.812 8.334 ( 0.958 -1.257 -5.025) 5.268 8.454 ( -1.150 5.023 -2.377) 5.675 8.578 ( -2.288 0.284 0.456) 2.350 8.830 ( 1.960 0.293 -1.519) 2.497 8.936 ( 1.598 -0.070 -6.984) 7.165 8.943 ( -1.001 -2.549 -5.287) 5.954 9.037 ( 1.458 -1.271 -0.490) 1.996 9.642 ( -9.319 -1.035 12.205) 15.391 9.841 ( -6.598 -7.625 7.864) 12.788 9.965 ( -3.890 4.050 2.017) 5.967 10.122 ( -4.087 0.321 3.345) 5.291 10.246 ( -8.771 3.188 10.190) 13.818 10.270 ( 2.276 0.448 11.911) 12.135 10.529 ( -0.788 -4.056 6.934) 8.072 10.560 ( 2.522 -2.303 2.721) 4.367 11.112 ( -0.040 1.909 10.739) 10.908 11.329 ( -1.483 -2.365 7.195) 7.717 11.605 ( -9.044 1.771 -2.458) 9.538 11.693 ( -11.023 1.928 -0.870) 11.224 12.092 ( -1.313 2.473 3.060) 4.148 12.253 ( -1.591 -2.945 3.165) 4.606 12.479 ( -1.430 9.100 -0.739) 9.242 13.274 ( 14.917 -14.868 -17.336) 27.278 16.580 ( -1.630 2.895 7.796) 8.475 16.876 ( -1.651 -5.240 4.295) 6.974 17.083 ( 1.825 4.172 -1.002) 4.662 17.431 ( -0.575 -0.859 -3.227) 3.389 17.476 ( -0.536 0.236 -0.036) 0.587 17.563 ( -0.325 -0.173 0.515) 0.633 17.935 ( -1.513 0.620 -1.917) 2.520 17.962 ( 5.301 -0.808 -11.416) 12.612 19.222 ( -1.878 0.700 0.975) 2.229 19.342 ( 4.589 -0.641 -0.154) 4.636 19.397 ( -2.403 6.873 -4.675) 8.653 19.710 ( 3.598 -1.814 -7.188) 8.240 23.955 ( -1.208 3.738 1.041) 4.064 24.135 ( 2.191 6.355 -2.954) 7.342 24.371 ( 0.496 -6.558 2.942) 7.205 24.654 ( 10.426 -7.665 -3.301) 13.354 26.171 ( -2.479 7.780 -1.216) 8.256 26.305 ( 3.581 14.868 -1.955) 15.418 26.830 ( -2.734 -2.996 1.232) 4.238 27.403 ( 13.371 -9.841 -12.508) 20.787 28.382 ( 0.482 1.638 -4.029) 4.375 28.457 ( -0.498 -1.297 -3.540) 3.803 28.513 ( 1.114 1.330 -4.357) 4.690 28.567 ( 0.934 -0.489 -5.150) 5.256 35.366 ( -4.852 2.095 16.790) 17.602 35.848 ( -3.907 1.782 11.237) 12.029 36.012 ( -6.081 -9.047 17.444) 20.570 36.510 ( -24.143 -27.133 20.515) 41.713 38.692 ( -5.580 1.241 5.455) 7.901 38.831 ( -3.000 -2.307 13.667) 14.181 39.553 ( -4.921 38.672 -17.486) 42.726 40.697 ( -2.616 -4.629 -28.705) 29.194 ======================= Grid point 101 (54/111) ======================= q-point: ( 0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 8.791 6.435 11.159) 15.595 1.578 ( 10.483 9.028 6.019) 15.087 1.890 ( 3.870 -7.567 3.976) 9.383 1.971 ( 5.166 -2.019 -5.118) 7.547 2.081 ( 4.929 2.880 -4.952) 7.558 2.340 ( -5.020 -0.671 23.284) 23.828 2.535 ( -3.999 -0.898 20.110) 20.523 2.690 ( -5.163 -0.202 13.288) 14.257 2.854 ( 2.012 -2.601 -7.512) 8.200 3.196 ( -0.865 -6.313 9.309) 11.281 3.452 ( 1.002 6.452 8.391) 10.632 3.773 ( -0.062 0.119 11.299) 11.300 3.836 ( -0.634 0.643 4.125) 4.223 3.854 ( -0.946 0.577 9.089) 9.157 4.216 ( -0.317 1.082 5.577) 5.690 4.284 ( -0.143 1.172 -2.133) 2.438 4.573 ( -0.579 2.927 -3.100) 4.303 4.781 ( 3.375 -2.806 6.520) 7.860 5.312 ( 4.741 3.188 -9.087) 10.734 5.650 ( 4.032 -4.420 6.791) 9.051 5.778 ( 1.097 0.408 9.001) 9.077 5.920 ( 2.406 -3.017 -7.837) 8.735 6.156 ( -3.616 3.444 9.044) 10.331 6.258 ( -4.921 0.276 3.306) 5.935 6.312 ( -4.024 0.041 -4.798) 6.263 6.446 ( 1.247 -1.756 -2.455) 3.266 6.484 ( -0.403 3.371 -0.143) 3.398 6.770 ( 0.446 0.222 -5.830) 5.851 6.915 ( -1.972 3.618 0.586) 4.162 7.087 ( -1.271 -1.318 2.029) 2.733 7.127 ( 0.422 1.078 1.714) 2.069 7.225 ( -4.519 -2.006 6.725) 8.347 7.284 ( -1.258 0.101 3.596) 3.811 7.373 ( -3.344 1.383 2.814) 4.584 7.488 ( -4.344 -4.864 1.262) 6.642 7.618 ( 0.523 0.822 2.909) 3.068 7.738 ( 1.628 -4.317 6.569) 8.028 7.823 ( -0.599 -3.033 8.948) 9.467 7.996 ( -2.127 -0.181 3.842) 4.395 8.077 ( -3.035 -0.432 0.690) 3.142 8.314 ( -0.685 2.559 -0.252) 2.661 8.357 ( 1.505 1.059 -1.732) 2.527 8.404 ( -2.413 4.573 0.785) 5.230 8.557 ( 0.038 -0.095 -0.004) 0.103 8.828 ( -0.517 -0.747 -3.659) 3.770 8.905 ( -0.181 -2.414 -5.040) 5.591 8.943 ( 2.499 0.484 -6.902) 7.357 9.050 ( -0.263 -1.912 -0.088) 1.933 9.500 ( -11.476 -0.195 14.117) 18.194 9.744 ( -6.244 -7.808 9.195) 13.583 9.937 ( -0.522 4.486 2.778) 5.303 10.074 ( -1.781 0.506 1.912) 2.662 10.194 ( -3.944 4.293 12.423) 13.723 10.385 ( 1.327 -3.849 12.270) 12.927 10.548 ( 1.088 0.247 6.034) 6.136 10.665 ( 4.786 -2.229 5.485) 7.613 11.131 ( -3.153 1.129 7.151) 7.896 11.291 ( -4.530 3.353 2.293) 6.085 11.424 ( -8.393 -1.211 0.102) 8.481 11.520 ( -6.992 1.481 -0.896) 7.203 12.090 ( -0.766 2.130 2.990) 3.750 12.235 ( -1.803 -2.360 3.020) 4.236 12.473 ( 0.958 9.601 0.035) 9.649 13.337 ( 2.250 -14.348 -17.335) 22.614 16.589 ( -1.581 2.680 7.714) 8.318 16.865 ( -1.591 -4.732 4.209) 6.530 17.108 ( 1.070 3.529 -0.634) 3.742 17.396 ( -1.002 -2.450 -4.226) 4.986 17.466 ( -0.833 -0.706 2.433) 2.667 17.562 ( 0.222 0.099 -0.914) 0.945 17.909 ( -0.120 1.518 -1.305) 2.005 18.021 ( 6.509 -2.071 -11.856) 13.683 19.196 ( -1.242 2.751 0.539) 3.067 19.299 ( -2.688 8.955 -3.907) 10.133 19.454 ( 4.431 -3.151 -0.331) 5.447 19.748 ( 3.947 -3.240 -6.883) 8.571 23.922 ( -2.606 3.792 1.217) 4.759 24.154 ( 1.514 7.892 -3.558) 8.788 24.386 ( -0.470 -6.037 2.194) 6.441 24.864 ( 13.321 -9.167 -7.815) 17.960 26.138 ( -0.284 7.178 -1.360) 7.311 26.399 ( 6.050 12.416 1.087) 13.854 26.778 ( -3.064 -2.196 0.755) 3.844 27.551 ( 8.562 -12.136 -13.941) 20.370 28.371 ( 0.568 1.582 -4.263) 4.583 28.427 ( -0.495 -1.717 -3.860) 4.254 28.511 ( 1.062 1.973 -4.568) 5.088 28.554 ( 0.597 -0.269 -5.409) 5.449 35.358 ( -4.706 1.621 16.393) 17.133 35.809 ( -8.178 -4.278 16.951) 19.301 35.951 ( -9.033 -7.788 16.829) 20.626 36.217 ( -15.149 -3.911 21.859) 26.881 38.618 ( -4.172 -2.263 3.304) 5.783 38.828 ( -4.630 -3.968 14.226) 15.478 39.397 ( -3.876 29.717 -10.753) 31.839 40.488 ( -3.843 -5.661 -25.667) 26.563 ======================= Grid point 102 (55/111) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 1.854 9.922 5.490) 11.490 1.821 ( 10.712 0.613 1.631) 10.853 1.943 ( -1.067 -4.982 8.736) 10.113 2.056 ( 5.148 -4.150 -1.389) 6.757 2.178 ( 6.856 5.064 -8.912) 12.332 2.372 ( -3.655 0.764 23.940) 24.229 2.544 ( -4.019 1.027 15.237) 15.792 2.652 ( -6.383 -3.701 13.224) 15.143 2.843 ( 1.026 0.618 -6.984) 7.086 3.211 ( -2.615 -8.192 8.524) 12.108 3.501 ( -0.116 6.863 7.581) 10.227 3.795 ( -2.970 1.657 11.162) 11.668 3.835 ( -0.596 -1.550 1.572) 2.287 3.893 ( -1.792 0.509 10.337) 10.503 4.163 ( -4.933 1.986 -1.724) 5.590 4.222 ( -1.353 0.453 -9.759) 9.863 4.610 ( 2.105 3.751 6.506) 7.800 4.891 ( 2.338 -3.745 12.607) 13.358 5.430 ( 11.530 3.842 -8.766) 14.985 5.789 ( 5.576 -4.557 6.688) 9.828 5.849 ( 0.849 0.625 11.090) 11.140 5.941 ( 2.291 -1.347 -3.711) 4.565 6.068 ( -6.524 2.896 2.693) 7.629 6.180 ( -5.501 0.942 6.491) 8.560 6.283 ( 2.530 -1.055 -2.977) 4.047 6.469 ( -0.008 3.506 0.587) 3.555 6.510 ( 4.632 -5.026 -2.345) 7.226 6.744 ( 0.394 0.869 -5.340) 5.425 6.902 ( 0.160 4.200 0.149) 4.206 7.056 ( -2.968 -2.535 -0.050) 3.903 7.148 ( -3.263 1.121 7.192) 7.977 7.161 ( -0.959 0.415 2.786) 2.975 7.279 ( -4.057 -0.163 7.071) 8.154 7.345 ( 0.699 2.355 3.448) 4.233 7.412 ( -2.572 -3.719 -3.760) 5.881 7.633 ( -1.619 2.117 5.812) 6.394 7.794 ( 0.779 -2.928 3.561) 4.676 7.843 ( -1.501 -2.737 10.139) 10.609 7.957 ( -4.005 -1.227 4.593) 6.216 8.055 ( -0.646 0.184 4.341) 4.392 8.277 ( -2.728 4.886 1.603) 5.821 8.359 ( 0.088 0.514 -3.180) 3.222 8.394 ( 0.386 1.357 -0.500) 1.497 8.563 ( 0.434 -0.148 -0.750) 0.879 8.791 ( -0.850 -0.170 -4.821) 4.898 8.885 ( 0.867 -1.764 -5.228) 5.586 8.954 ( 2.472 -0.230 -7.587) 7.983 9.025 ( -2.283 -2.335 0.975) 3.408 9.374 ( -8.933 0.498 15.311) 17.733 9.701 ( -3.111 -8.315 8.111) 12.025 9.965 ( 1.357 5.220 4.058) 6.749 10.062 ( -0.464 0.529 0.907) 1.148 10.185 ( -3.948 3.250 12.506) 13.511 10.444 ( -0.623 -7.127 11.702) 13.715 10.611 ( 0.359 2.691 7.620) 8.089 10.800 ( 5.397 -0.785 8.205) 9.852 11.064 ( -4.458 -0.172 -0.814) 4.535 11.212 ( -4.691 6.796 2.955) 8.771 11.268 ( -6.110 -4.724 -4.467) 8.922 11.419 ( -4.801 1.343 3.284) 5.970 12.091 ( -0.859 2.125 3.513) 4.195 12.217 ( -1.687 -1.179 3.467) 4.032 12.506 ( 2.167 7.873 -0.389) 8.175 13.248 ( -1.510 -11.161 -14.756) 18.563 16.595 ( -1.837 2.445 7.697) 8.282 16.862 ( -0.901 -4.677 4.521) 6.567 17.116 ( 0.178 3.069 -0.608) 3.133 17.349 ( -1.685 -2.951 -4.226) 5.423 17.470 ( -0.136 -1.158 2.535) 2.791 17.565 ( 0.519 -0.478 -0.956) 1.188 17.915 ( 1.225 1.827 -0.686) 2.304 18.083 ( 6.000 -3.328 -11.674) 13.541 19.176 ( -1.077 4.104 0.253) 4.251 19.248 ( -0.570 10.378 -3.340) 10.917 19.520 ( 2.484 -4.398 -0.235) 5.056 19.789 ( 3.718 -3.826 -6.341) 8.286 23.873 ( -2.819 3.495 0.941) 4.588 24.162 ( 1.383 7.747 -3.882) 8.775 24.369 ( -2.323 -4.393 1.340) 5.147 25.053 ( 10.921 -11.171 -12.932) 20.280 26.146 ( 1.723 7.581 -1.072) 7.848 26.521 ( 4.886 13.576 0.191) 14.430 26.734 ( -1.628 -4.644 3.229) 5.886 27.599 ( 3.399 -12.659 -10.487) 16.786 28.363 ( 0.868 1.293 -4.262) 4.538 28.402 ( 0.176 -1.881 -4.368) 4.759 28.508 ( 1.049 2.536 -4.844) 5.567 28.540 ( 1.005 0.284 -5.701) 5.796 35.352 ( -4.426 1.471 16.091) 16.754 35.710 ( -11.963 -9.078 27.159) 31.035 35.885 ( -4.902 2.056 11.132) 12.336 36.123 ( -7.225 -0.224 19.169) 20.487 38.566 ( -2.643 -5.648 1.716) 6.468 38.800 ( -5.668 -5.298 14.268) 16.242 39.291 ( -1.757 25.833 -9.693) 27.648 40.320 ( -0.528 -6.095 -21.897) 22.735 ======================= Grid point 103 (56/111) ======================= q-point: ( 0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -2.227 9.909 3.387) 10.706 1.908 ( -3.285 -2.600 6.394) 7.645 1.978 ( 0.286 -2.036 -0.482) 2.112 2.149 ( 4.078 -3.227 2.261) 5.671 2.223 ( 2.079 4.050 -3.681) 5.855 2.424 ( -5.494 3.348 26.407) 27.180 2.541 ( -3.841 2.097 11.222) 12.045 2.585 ( -4.292 -5.427 6.611) 9.570 2.836 ( 1.414 0.360 -4.495) 4.726 3.173 ( -4.866 -6.048 5.401) 9.456 3.518 ( -2.076 4.730 6.671) 8.437 3.764 ( -6.975 1.386 3.953) 8.137 3.808 ( -2.979 -0.807 10.567) 11.009 3.898 ( -1.504 -0.777 6.292) 6.516 4.071 ( -2.621 2.354 -2.973) 4.609 4.173 ( 1.908 0.190 -10.431) 10.606 4.677 ( 0.202 3.541 9.182) 9.844 4.971 ( -1.365 -3.947 13.182) 13.828 5.637 ( 13.445 3.263 -7.618) 15.794 5.837 ( -3.825 -0.101 8.892) 9.680 5.893 ( -5.389 0.517 11.029) 12.286 5.951 ( -0.723 0.874 0.701) 1.334 6.064 ( 8.153 -2.659 -3.001) 9.085 6.135 ( -2.699 -0.132 8.351) 8.778 6.353 ( 5.758 -0.439 -1.557) 5.980 6.495 ( 2.698 1.476 1.543) 3.441 6.558 ( 1.443 -4.839 -4.566) 6.808 6.773 ( 4.946 3.476 -2.525) 6.551 6.904 ( -0.503 0.331 -0.343) 0.693 6.986 ( -3.466 -0.891 0.440) 3.605 7.099 ( -4.872 2.363 10.061) 11.425 7.195 ( 2.642 0.819 -3.085) 4.143 7.214 ( -4.937 -1.138 7.000) 8.641 7.323 ( -3.098 -1.986 -5.977) 7.019 7.455 ( 5.367 1.842 7.019) 9.025 7.614 ( -3.539 2.133 7.934) 8.945 7.780 ( -2.577 -1.450 0.418) 2.986 7.895 ( 0.039 -3.949 10.345) 11.073 7.915 ( -1.963 0.473 5.837) 6.177 8.071 ( -0.307 1.803 4.769) 5.108 8.243 ( -2.220 4.223 3.071) 5.674 8.320 ( -2.132 -1.020 -4.578) 5.152 8.387 ( -0.846 1.149 -1.332) 1.952 8.568 ( 0.892 0.387 -1.040) 1.424 8.756 ( 0.142 -0.155 -5.664) 5.668 8.881 ( 0.769 -1.112 -3.440) 3.696 8.964 ( 2.511 -1.704 -7.757) 8.330 8.989 ( -1.363 -1.572 0.746) 2.211 9.317 ( -5.307 1.454 16.429) 17.326 9.699 ( -1.309 -9.354 7.827) 12.266 10.013 ( 1.529 5.050 2.135) 5.692 10.069 ( -0.117 0.130 4.835) 4.838 10.163 ( -4.144 3.639 10.871) 12.190 10.497 ( -0.311 -8.325 11.836) 14.474 10.614 ( -3.422 3.221 6.574) 8.081 10.867 ( -4.697 0.670 6.010) 7.657 11.046 ( 3.401 -1.459 0.263) 3.710 11.135 ( -3.761 4.679 4.678) 7.610 11.181 ( -0.008 -4.058 -6.759) 7.884 11.355 ( -2.676 1.512 2.334) 3.859 12.093 ( -1.068 1.824 4.348) 4.834 12.208 ( -1.096 -1.067 4.030) 4.310 12.532 ( 0.581 7.652 -1.672) 7.854 13.183 ( 2.782 -8.974 -12.235) 15.426 16.596 ( -2.131 2.510 7.589) 8.273 16.875 ( -0.407 -5.043 5.070) 7.163 17.110 ( -0.496 2.759 -0.757) 2.904 17.297 ( -1.104 -2.767 -4.445) 5.351 17.480 ( -0.322 -0.704 2.341) 2.466 17.568 ( 0.057 -0.522 -0.424) 0.675 17.946 ( 2.236 1.358 -0.488) 2.661 18.128 ( 4.558 -4.076 -11.297) 12.846 19.157 ( -0.841 4.443 -0.039) 4.522 19.242 ( 1.532 11.418 -2.892) 11.878 19.549 ( 0.719 -5.232 -0.268) 5.288 19.826 ( 3.336 -3.991 -5.839) 7.820 23.829 ( -2.079 3.164 0.650) 3.841 24.172 ( 1.889 6.438 -4.130) 7.879 24.311 ( -4.089 -2.373 0.907) 4.814 25.127 ( 4.112 -12.115 -16.291) 20.715 26.190 ( 3.076 7.867 -0.535) 8.464 26.539 ( -1.428 14.609 -4.205) 15.269 26.783 ( 2.840 -6.135 8.355) 10.748 27.599 ( 1.828 -12.784 -7.809) 15.091 28.362 ( 1.301 0.950 -4.125) 4.428 28.393 ( 1.183 -1.785 -4.589) 5.064 28.504 ( 1.207 2.799 -5.126) 5.964 28.535 ( 1.491 0.769 -5.978) 6.209 35.351 ( -4.126 1.717 16.010) 16.622 35.673 ( -6.746 -7.737 30.656) 32.329 35.860 ( -3.390 3.353 9.672) 10.783 36.097 ( -5.468 -0.844 17.641) 18.488 38.531 ( -1.675 -6.881 0.996) 7.152 38.762 ( -5.327 -5.763 13.111) 15.280 39.236 ( 1.297 25.140 -9.591) 26.939 40.260 ( 5.248 -6.423 -19.083) 20.808 ======================= Grid point 104 (57/111) ======================= q-point: (-0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -5.276 8.380 3.647) 10.553 1.826 ( -8.372 -4.136 1.926) 9.535 1.880 ( -8.829 0.599 5.871) 10.619 2.219 ( 1.630 -0.736 1.439) 2.295 2.240 ( 0.624 4.220 -1.591) 4.553 2.400 ( -10.842 2.158 27.781) 29.900 2.496 ( -4.887 0.027 6.896) 8.452 2.594 ( 0.097 -3.607 8.701) 9.420 2.851 ( 1.869 -0.921 -2.510) 3.262 3.094 ( -4.849 -1.063 1.976) 5.343 3.482 ( -4.987 -0.180 5.977) 7.786 3.616 ( -8.815 1.481 4.000) 9.793 3.815 ( -2.597 -0.095 11.539) 11.828 3.895 ( -1.872 -0.842 4.737) 5.163 4.033 ( -0.448 2.393 -2.032) 3.171 4.174 ( 2.831 -0.073 -9.666) 10.073 4.707 ( -1.227 3.177 7.866) 8.572 4.964 ( -5.637 -3.470 11.031) 12.865 5.780 ( -6.473 -0.083 11.520) 13.214 5.799 ( -3.710 0.095 6.891) 7.827 5.862 ( 7.754 3.296 -7.138) 11.043 5.934 ( -1.406 2.497 3.288) 4.361 6.140 ( 0.817 -1.525 6.906) 7.120 6.233 ( 7.122 -5.515 -1.724) 9.172 6.478 ( 7.743 -0.406 -2.989) 8.309 6.541 ( 0.313 0.225 0.034) 0.387 6.606 ( 6.661 0.015 1.521) 6.833 6.813 ( -2.660 2.984 0.531) 4.032 6.909 ( 2.600 -6.740 -3.897) 8.208 6.947 ( -0.599 5.715 1.726) 5.999 7.070 ( -3.246 3.280 10.245) 11.237 7.184 ( -1.458 -1.654 6.582) 6.941 7.214 ( -2.616 -0.424 -2.572) 3.693 7.232 ( 1.143 0.000 -7.827) 7.910 7.535 ( -2.589 -0.340 4.523) 5.223 7.650 ( 3.670 0.577 9.386) 10.095 7.730 ( -1.507 -0.751 0.837) 1.880 7.905 ( -1.609 -0.911 9.377) 9.557 7.965 ( 1.080 -0.930 5.312) 5.500 8.080 ( -1.462 4.602 1.170) 4.968 8.205 ( -2.507 -0.799 0.945) 2.796 8.246 ( -3.037 -0.934 -2.306) 3.926 8.366 ( -0.529 3.491 1.698) 3.918 8.583 ( 1.105 0.911 -2.191) 2.618 8.741 ( 1.159 -1.241 -4.980) 5.261 8.876 ( -0.161 -0.473 -0.893) 1.024 8.966 ( 0.539 -0.394 -1.431) 1.579 8.991 ( 2.579 -2.376 -6.688) 7.551 9.337 ( -1.657 2.295 17.698) 17.923 9.731 ( 0.379 -10.085 8.108) 12.946 10.042 ( 1.071 3.797 0.558) 3.984 10.070 ( -3.231 0.789 5.686) 6.587 10.186 ( 0.849 2.784 14.265) 14.559 10.500 ( -4.675 -2.511 4.193) 6.764 10.611 ( -0.381 -3.657 11.630) 12.198 10.754 ( -8.174 -1.761 3.222) 8.960 11.025 ( -4.325 1.321 2.984) 5.418 11.155 ( 0.529 0.834 -2.472) 2.662 11.187 ( 2.359 0.499 1.703) 2.952 11.403 ( 7.347 0.834 1.199) 7.491 12.088 ( -2.006 1.594 4.720) 5.370 12.218 ( -0.155 -2.264 4.138) 4.719 12.516 ( -0.658 9.982 -1.943) 10.190 13.230 ( 7.692 -9.412 -12.155) 17.191 16.591 ( -2.266 2.802 7.371) 8.204 16.893 ( -0.584 -5.388 5.399) 7.650 17.088 ( -1.274 2.610 -1.137) 3.118 17.273 ( 1.221 -2.211 -4.740) 5.371 17.475 ( -1.332 0.622 1.600) 2.173 17.564 ( -0.438 -0.573 1.033) 1.260 17.991 ( 2.547 0.722 -0.823) 2.773 18.139 ( 2.491 -3.674 -11.389) 12.224 19.146 ( -0.216 4.078 -0.293) 4.095 19.274 ( 3.095 11.370 -2.612) 12.070 19.544 ( -1.034 -5.589 -0.463) 5.703 19.856 ( 2.614 -4.090 -5.723) 7.504 23.804 ( -0.703 3.078 0.598) 3.213 24.192 ( 2.426 7.838 -5.758) 10.024 24.232 ( -4.428 -4.139 2.606) 6.598 25.049 ( -3.175 -11.382 -16.039) 19.922 26.249 ( 2.798 8.133 0.457) 8.613 26.464 ( -3.387 14.729 -4.833) 15.867 26.878 ( 1.732 -5.728 9.043) 10.844 27.592 ( 1.912 -13.503 -10.552) 17.244 28.370 ( 1.687 0.705 -4.207) 4.587 28.402 ( 1.966 -1.585 -3.920) 4.663 28.504 ( 1.555 2.755 -5.090) 5.993 28.536 ( 1.742 0.885 -6.203) 6.503 35.355 ( -3.911 2.255 16.201) 16.818 35.763 ( -0.790 -9.246 32.170) 33.482 35.852 ( -2.514 2.344 9.821) 10.406 36.092 ( -4.020 -0.945 17.550) 18.029 38.513 ( -0.720 -5.952 1.432) 6.164 38.735 ( -3.764 -5.238 11.199) 12.924 39.249 ( 5.056 26.553 -8.942) 28.471 40.327 ( 11.383 -6.714 -18.260) 22.541 ======================= Grid point 105 (58/111) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -11.782 5.029 6.531) 14.379 1.606 ( -12.786 8.837 0.237) 15.544 1.791 ( -5.557 -7.095 12.566) 15.463 2.211 ( -2.498 2.252 -4.284) 5.447 2.214 ( -0.093 4.272 -8.322) 9.355 2.331 ( -12.016 1.991 33.898) 36.020 2.429 ( -6.785 -4.322 13.988) 16.136 2.648 ( 0.796 -2.608 7.586) 8.061 2.880 ( 1.607 -0.143 0.213) 1.627 3.024 ( -2.455 1.879 0.179) 3.097 3.404 ( -5.684 -1.980 7.438) 9.568 3.485 ( -7.808 -1.513 5.499) 9.670 3.819 ( -3.181 -0.325 11.772) 12.199 3.876 ( -1.888 -0.075 2.905) 3.466 4.017 ( -0.827 2.639 -0.425) 2.798 4.172 ( 1.762 0.088 -8.546) 8.726 4.727 ( 0.196 2.377 4.647) 5.223 4.877 ( -8.003 -2.535 8.197) 11.733 5.705 ( -7.030 -0.594 10.986) 13.057 5.717 ( -7.098 -0.583 10.841) 12.971 5.936 ( 0.490 2.672 -1.187) 2.965 5.962 ( 3.753 3.751 -3.196) 6.194 6.240 ( 5.888 -1.830 5.515) 8.272 6.287 ( 0.810 -8.003 -6.294) 10.213 6.536 ( 0.023 3.689 -4.755) 6.018 6.618 ( 5.403 0.623 1.142) 5.557 6.747 ( 1.584 0.043 0.466) 1.652 6.770 ( 2.811 -1.233 5.683) 6.459 6.901 ( 0.485 1.657 -1.003) 1.997 6.961 ( -0.224 -0.057 -1.730) 1.746 7.081 ( -1.298 2.941 10.961) 11.423 7.140 ( -0.908 0.020 -2.769) 2.915 7.216 ( 1.021 -2.096 4.853) 5.383 7.253 ( 2.460 -0.418 -3.703) 4.465 7.484 ( -3.556 -0.020 1.595) 3.898 7.667 ( -2.646 -2.006 5.491) 6.417 7.820 ( 4.508 -1.252 5.973) 7.587 7.930 ( -1.291 0.004 6.196) 6.329 7.977 ( -1.308 -0.729 -2.293) 2.738 7.993 ( -4.632 3.465 -1.830) 6.067 8.201 ( -0.273 -0.175 1.391) 1.428 8.209 ( 1.143 -1.241 2.951) 3.400 8.397 ( 1.917 3.785 4.225) 5.987 8.576 ( -0.238 2.311 -3.755) 4.415 8.749 ( 1.661 -2.504 -3.522) 4.630 8.869 ( -0.169 0.560 -0.334) 0.673 8.976 ( 0.567 0.806 0.710) 1.215 9.008 ( 3.295 -2.969 -8.756) 9.815 9.432 ( 1.871 2.255 18.551) 18.781 9.788 ( 0.987 -9.844 7.886) 12.652 10.030 ( -1.991 2.025 2.534) 3.806 10.075 ( 0.815 3.221 3.882) 5.110 10.328 ( 4.356 -2.093 19.559) 20.147 10.411 ( -4.631 -0.599 1.375) 4.868 10.601 ( -7.795 -3.393 2.165) 8.773 10.678 ( -1.379 -6.438 15.163) 16.531 10.956 ( -3.676 1.532 1.287) 4.185 11.118 ( -2.295 -3.700 -1.071) 4.484 11.298 ( 7.680 10.487 2.879) 13.314 11.577 ( 8.471 0.164 1.400) 8.588 12.066 ( -2.400 1.595 4.477) 5.325 12.233 ( -0.434 -3.740 3.157) 4.913 12.513 ( 1.215 11.638 -0.181) 11.703 13.303 ( 5.754 -11.202 -15.900) 20.283 16.584 ( -2.341 3.078 7.157) 8.135 16.903 ( -1.205 -5.465 5.166) 7.616 17.056 ( -1.141 3.018 -1.562) 3.584 17.295 ( 3.684 -1.819 -5.424) 6.804 17.449 ( -1.849 2.011 1.423) 3.080 17.566 ( -0.316 -0.787 2.609) 2.743 18.029 ( 1.831 0.261 -1.499) 2.380 18.107 ( 0.334 -2.153 -11.725) 11.926 19.146 ( 0.356 2.917 -0.390) 2.965 19.332 ( 4.261 10.585 -2.884) 11.769 19.503 ( -2.923 -5.427 -0.599) 6.193 19.863 ( 1.050 -3.827 -6.081) 7.262 23.810 ( 0.974 3.178 0.732) 3.404 24.147 ( -2.775 5.092 -2.155) 6.186 24.235 ( 2.064 -2.869 -0.194) 3.540 24.868 ( -7.300 -9.686 -12.587) 17.480 26.290 ( 0.567 8.716 1.691) 8.897 26.377 ( -2.495 16.329 -4.838) 17.213 26.931 ( -0.786 -6.084 8.338) 10.352 27.541 ( -0.579 -13.536 -16.713) 21.514 28.383 ( 1.782 0.838 -4.209) 4.647 28.425 ( 2.194 -1.595 -3.162) 4.167 28.513 ( 1.910 2.248 -4.589) 5.456 28.539 ( 2.013 0.551 -6.404) 6.735 35.363 ( -3.894 2.844 16.568) 17.256 35.844 ( -2.276 3.400 10.305) 11.088 35.944 ( 0.603 -13.626 23.979) 27.587 36.166 ( 2.808 -6.208 26.982) 27.829 38.524 ( 0.738 -3.030 3.415) 4.625 38.733 ( -1.889 -4.108 9.609) 10.620 39.344 ( 9.634 30.692 -9.187) 33.455 40.498 ( 15.800 -6.338 -19.767) 26.087 ======================= Grid point 106 (59/111) ======================= q-point: (-0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -15.533 5.422 11.865) 20.284 1.365 ( -13.544 19.100 6.457) 24.289 1.789 ( -1.310 -11.405 10.107) 15.295 2.116 ( -3.666 3.227 -8.253) 9.590 2.142 ( -2.030 2.918 -9.049) 9.722 2.287 ( -10.633 6.397 36.558) 38.607 2.394 ( -5.651 -9.700 18.049) 21.256 2.698 ( 0.901 -2.713 6.061) 6.701 2.897 ( -0.328 0.957 0.060) 1.014 3.023 ( 1.821 2.859 2.600) 4.272 3.350 ( -7.705 -2.934 9.818) 12.821 3.374 ( -3.542 -1.725 8.040) 8.953 3.815 ( -3.021 -0.669 11.393) 11.805 3.857 ( -1.368 0.039 1.695) 2.178 3.996 ( -1.469 2.999 1.801) 3.794 4.159 ( 0.880 -0.178 -6.129) 6.195 4.753 ( -2.383 -0.435 2.792) 3.696 4.765 ( -3.423 -0.570 3.373) 4.840 5.630 ( -6.616 -1.411 12.083) 13.848 5.649 ( -5.886 -1.737 11.296) 12.856 5.910 ( 0.378 2.174 -13.676) 13.853 6.001 ( -0.319 6.448 7.144) 9.629 6.237 ( -1.690 -7.571 -6.805) 10.319 6.378 ( 4.849 -1.847 1.221) 5.330 6.469 ( -2.273 3.841 -3.367) 5.591 6.666 ( -1.652 -2.880 -0.435) 3.349 6.762 ( 0.936 2.601 1.612) 3.200 6.794 ( -1.493 1.986 -3.792) 4.534 6.966 ( 2.549 -0.512 -0.362) 2.625 7.005 ( 6.106 -1.407 6.198) 8.813 7.123 ( -0.381 2.348 12.432) 12.657 7.151 ( 2.613 -0.444 -2.047) 3.349 7.247 ( 1.628 -1.864 -5.717) 6.230 7.289 ( 0.556 -2.474 7.732) 8.137 7.434 ( -1.881 -0.043 3.226) 3.735 7.644 ( -3.133 -2.892 5.649) 7.077 7.819 ( -6.221 1.807 -3.143) 7.200 7.847 ( -2.511 -0.578 -6.525) 7.015 7.977 ( 2.883 0.134 4.007) 4.938 8.013 ( 0.743 -1.144 8.377) 8.487 8.198 ( -0.448 1.959 0.784) 2.157 8.290 ( 4.316 -0.858 2.280) 4.956 8.466 ( 2.928 1.943 2.766) 4.473 8.544 ( -0.496 3.919 -4.864) 6.266 8.760 ( 1.075 -2.923 -2.683) 4.110 8.870 ( 0.834 1.145 -1.037) 1.755 8.994 ( 0.735 0.850 1.306) 1.723 9.026 ( 3.097 -2.658 -9.122) 9.994 9.578 ( 3.398 0.691 15.875) 16.249 9.837 ( -0.049 -8.778 7.876) 11.794 10.027 ( 0.698 2.220 0.894) 2.493 10.113 ( 0.550 4.055 5.048) 6.498 10.295 ( -6.181 0.051 2.568) 6.693 10.476 ( -5.522 -3.638 1.125) 6.708 10.580 ( 5.427 -7.448 18.952) 21.074 10.738 ( 1.017 -11.317 20.343) 23.302 10.908 ( -1.473 0.711 0.357) 1.674 11.067 ( -2.232 -3.743 -0.849) 4.440 11.527 ( 14.038 14.308 8.549) 21.792 11.713 ( 4.863 2.308 0.351) 5.395 12.051 ( -1.266 1.571 4.542) 4.970 12.236 ( -0.323 -2.212 1.713) 2.816 12.548 ( 1.543 8.461 1.196) 8.683 13.234 ( -4.370 -11.366 -21.384) 24.608 16.575 ( -2.295 3.188 7.179) 8.184 16.900 ( -1.664 -5.445 4.753) 7.417 17.033 ( -0.213 3.685 -1.824) 4.118 17.353 ( 5.514 -0.709 -7.794) 9.573 17.429 ( -1.092 2.703 2.917) 4.125 17.579 ( -0.176 -1.991 4.077) 4.541 18.035 ( -0.251 -0.684 -9.206) 9.235 18.048 ( -0.085 0.198 -4.586) 4.591 19.154 ( 0.638 1.689 -0.436) 1.857 19.401 ( 3.791 7.520 -4.296) 9.454 19.431 ( -3.566 -2.516 0.299) 4.374 19.829 ( -1.160 -2.818 -6.724) 7.383 23.848 ( 2.471 3.251 0.744) 4.150 24.098 ( -1.275 3.906 -1.476) 4.366 24.276 ( 1.943 -3.867 0.436) 4.350 24.670 ( -7.283 -8.199 -7.581) 13.332 26.277 ( -1.168 15.185 -1.445) 15.298 26.341 ( -0.256 12.478 -1.425) 12.562 26.935 ( -2.599 -6.224 6.761) 9.550 27.392 ( -5.198 -11.141 -18.726) 22.401 28.393 ( 1.464 1.230 -4.144) 4.564 28.450 ( 1.976 -1.479 -2.775) 3.714 28.523 ( 1.343 1.442 -4.495) 4.908 28.551 ( 2.437 -0.054 -6.064) 6.535 35.372 ( -4.126 3.185 16.941) 17.725 35.851 ( -2.135 3.432 9.528) 10.349 36.007 ( -2.949 -8.018 15.737) 17.906 36.484 ( 11.210 -29.329 32.415) 45.129 38.582 ( 2.655 0.751 6.932) 7.461 38.757 ( -0.668 -2.756 9.213) 9.640 39.526 ( 15.122 38.639 -14.195) 43.854 40.705 ( 16.144 -4.942 -23.258) 28.740 ======================= Grid point 107 (60/111) ======================= q-point: (-0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -11.206 12.086 15.607) 22.699 1.194 ( -8.033 22.182 13.905) 27.384 1.807 ( -1.813 -12.699 6.150) 14.226 2.000 ( -3.705 4.303 -6.659) 8.751 2.078 ( 0.035 0.595 -8.182) 8.203 2.290 ( -8.093 6.828 34.050) 35.659 2.391 ( -4.520 -11.196 20.391) 23.698 2.749 ( 1.931 -3.676 3.355) 5.339 2.868 ( -2.887 1.879 0.910) 3.563 3.099 ( 3.934 0.153 1.988) 4.410 3.248 ( -6.434 1.324 11.251) 13.029 3.415 ( 0.642 -0.734 14.810) 14.843 3.826 ( -2.118 -0.715 10.208) 10.450 3.840 ( -0.803 -0.494 2.033) 2.241 3.992 ( -0.261 2.833 4.604) 5.412 4.147 ( 0.480 -0.367 -3.240) 3.296 4.674 ( -3.477 -0.928 2.486) 4.373 4.773 ( 0.375 -1.157 -2.567) 2.840 5.564 ( -6.821 -2.707 11.044) 13.260 5.602 ( -4.792 -1.869 10.491) 11.684 5.820 ( -0.970 2.615 -16.614) 16.846 6.022 ( -1.877 6.174 9.322) 11.337 6.160 ( -1.558 -5.139 -11.106) 12.336 6.382 ( -0.978 0.704 0.804) 1.449 6.499 ( 1.939 -0.381 -0.548) 2.050 6.585 ( -4.032 -2.573 -2.680) 5.482 6.743 ( -2.893 3.660 -1.557) 4.918 6.776 ( 0.273 5.197 -1.088) 5.316 7.011 ( 1.452 -5.055 0.444) 5.278 7.096 ( 0.563 -0.180 5.719) 5.749 7.168 ( 1.191 -2.295 -0.569) 2.647 7.189 ( -2.228 0.241 -1.629) 2.771 7.252 ( 3.663 -0.122 4.932) 6.145 7.369 ( 2.378 -3.358 11.711) 12.413 7.476 ( 3.467 -2.303 5.319) 6.754 7.586 ( -4.921 -2.034 2.252) 5.782 7.708 ( -3.823 -0.444 0.403) 3.870 7.763 ( -2.490 0.143 -5.442) 5.986 8.048 ( 1.530 -0.017 3.722) 4.024 8.067 ( 1.063 0.498 5.052) 5.186 8.202 ( 0.467 2.571 2.835) 3.855 8.361 ( 2.278 -1.302 -1.414) 2.981 8.496 ( -0.912 2.672 -0.833) 2.943 8.551 ( 4.015 2.889 -3.657) 6.152 8.767 ( 0.927 -2.189 -1.416) 2.767 8.894 ( 2.615 1.226 -2.728) 3.973 9.011 ( 0.444 -0.170 0.246) 0.536 9.027 ( 1.462 -2.150 -8.383) 8.777 9.693 ( 0.713 -1.149 12.042) 12.117 9.869 ( -0.945 -7.596 8.261) 11.262 10.054 ( 1.993 3.129 -2.083) 4.255 10.134 ( -1.692 3.024 5.576) 6.565 10.203 ( -5.091 3.207 6.705) 9.010 10.414 ( -1.074 -3.998 1.041) 4.269 10.616 ( -4.843 -1.203 9.666) 10.878 10.796 ( -8.490 -13.955 4.264) 16.882 10.977 ( 2.669 -3.427 7.746) 8.881 11.100 ( 6.558 -9.847 10.288) 15.679 11.755 ( 1.111 3.735 -1.242) 4.090 11.925 ( 13.050 1.097 9.908) 16.422 12.104 ( 9.337 5.355 4.830) 11.798 12.240 ( -0.151 0.560 0.893) 1.065 12.563 ( -0.757 4.565 0.542) 4.659 12.921 ( -13.796 -4.502 -19.912) 24.639 16.570 ( -2.020 3.103 7.516) 8.378 16.891 ( -1.718 -5.627 4.728) 7.548 17.031 ( 1.005 4.364 -1.792) 4.823 17.417 ( 5.549 2.243 -9.872) 11.545 17.438 ( 0.074 1.777 3.118) 3.590 17.594 ( -1.037 -4.681 5.314) 7.157 17.967 ( -0.160 0.442 -10.922) 10.932 18.030 ( -0.803 -0.029 -2.703) 2.820 19.170 ( 1.536 1.131 0.026) 1.907 19.335 ( -4.435 -2.684 0.623) 5.221 19.470 ( 3.594 8.342 -4.545) 10.156 19.756 ( -2.300 -1.318 -7.322) 7.787 23.906 ( 2.887 3.283 0.472) 4.397 24.085 ( 0.617 3.473 -1.427) 3.805 24.312 ( 1.208 -5.301 1.859) 5.746 24.535 ( -3.379 -7.633 -2.989) 8.866 26.261 ( 1.141 19.499 -5.424) 20.271 26.321 ( -1.705 10.004 -0.156) 10.149 26.908 ( -3.107 -5.915 4.817) 8.236 27.208 ( -3.501 -7.267 -11.496) 14.043 28.396 ( 0.985 1.432 -3.983) 4.346 28.471 ( 1.574 -1.087 -2.780) 3.375 28.521 ( 0.857 0.885 -4.579) 4.742 28.565 ( 1.895 -0.337 -5.407) 5.739 35.375 ( -4.485 3.112 17.155) 18.002 35.857 ( -2.317 3.396 9.553) 10.400 36.021 ( -3.639 -6.798 15.403) 17.226 36.799 ( 4.310 -49.584 21.925) 54.386 38.682 ( 2.614 1.620 9.401) 9.891 38.793 ( -1.105 -1.378 10.526) 10.673 39.733 ( 14.706 46.832 -26.927) 55.987 40.848 ( 11.159 -3.515 -27.185) 29.595 ======================= Grid point 108 (61/111) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -1.591 18.302 11.766) 21.816 1.498 ( -1.367 -17.863 6.902) 19.199 1.667 ( 0.384 22.958 12.200) 26.001 1.995 ( -2.086 -5.660 -3.609) 7.030 2.014 ( 0.679 2.655 -4.598) 5.353 2.134 ( -0.886 -12.444 7.658) 14.639 2.503 ( -5.965 9.629 27.575) 29.810 2.682 ( -3.309 -8.175 14.536) 17.002 2.878 ( -0.161 5.057 -2.595) 5.686 3.001 ( 0.977 -7.604 -1.679) 7.848 3.427 ( 1.513 6.808 15.541) 17.034 3.514 ( 2.441 -2.504 17.919) 18.257 3.803 ( -1.786 0.072 4.472) 4.816 3.823 ( -1.652 -2.069 7.700) 8.142 4.107 ( 2.069 3.620 6.538) 7.755 4.156 ( 2.152 -1.323 4.256) 4.950 4.660 ( 0.847 1.488 -2.490) 3.022 4.705 ( -0.124 -2.684 -4.624) 5.347 5.464 ( -5.533 1.200 5.660) 8.006 5.509 ( -4.453 -3.296 8.221) 9.913 5.797 ( -0.965 4.587 -11.102) 12.051 5.905 ( -1.292 -6.383 -13.150) 14.674 6.216 ( -1.891 7.091 6.676) 9.921 6.324 ( -2.461 -3.978 1.584) 4.938 6.499 ( -0.435 1.969 2.445) 3.169 6.539 ( -0.496 -1.017 1.714) 2.054 6.703 ( -6.221 4.013 -4.345) 8.584 6.800 ( -3.063 -5.406 -1.928) 6.506 6.969 ( 0.821 3.962 1.559) 4.336 7.051 ( -0.615 -4.194 -0.560) 4.276 7.176 ( -0.513 3.397 3.563) 4.950 7.201 ( 1.309 0.707 3.117) 3.453 7.330 ( -0.930 0.719 7.337) 7.431 7.382 ( 0.612 -4.624 11.331) 12.254 7.468 ( -1.023 -0.125 3.060) 3.229 7.505 ( 1.319 -4.561 4.609) 6.617 7.649 ( -2.275 0.937 -0.484) 2.507 7.683 ( -2.514 -2.277 0.218) 3.399 8.097 ( -0.312 2.366 0.785) 2.513 8.125 ( 1.024 -0.265 1.448) 1.793 8.282 ( 1.400 1.915 1.509) 2.812 8.324 ( -0.335 -2.230 -1.001) 2.467 8.548 ( 0.554 3.332 -2.026) 3.939 8.594 ( 0.964 -1.389 -3.185) 3.606 8.824 ( 3.574 4.215 -4.072) 6.864 8.917 ( 2.819 -4.184 -6.162) 7.964 8.960 ( -0.378 0.648 -5.345) 5.397 8.987 ( -0.831 -1.794 -1.402) 2.424 9.702 ( -4.308 0.740 12.464) 13.208 9.760 ( -3.528 -5.305 11.299) 12.972 10.108 ( -3.885 3.405 0.757) 5.221 10.167 ( -1.249 -1.543 -0.478) 2.042 10.239 ( -1.867 4.103 10.122) 11.081 10.353 ( 2.089 -6.451 6.149) 9.154 10.452 ( -9.513 2.022 9.285) 13.446 10.521 ( -4.960 -3.540 7.020) 9.296 11.069 ( 3.320 2.153 10.399) 11.127 11.136 ( 5.146 -5.125 11.185) 13.336 11.808 ( -4.305 4.210 -0.957) 6.097 11.882 ( -6.248 -3.586 0.992) 7.271 12.210 ( -4.611 2.071 0.576) 5.088 12.242 ( -2.851 -1.456 1.661) 3.606 12.652 ( 2.221 7.856 -3.148) 8.750 12.804 ( 9.935 -7.766 -6.326) 14.108 16.653 ( -1.732 5.310 7.176) 9.094 16.766 ( -1.711 -6.374 6.238) 9.081 17.167 ( 1.388 7.514 -1.227) 7.739 17.330 ( 0.492 -9.260 -0.878) 9.315 17.537 ( 0.118 3.609 0.436) 3.638 17.573 ( 0.768 0.026 -2.614) 2.724 17.949 ( 1.764 1.051 -10.165) 10.370 17.972 ( 0.024 -1.292 -7.797) 7.903 19.235 ( 1.860 0.665 0.948) 2.191 19.251 ( -0.314 -1.014 1.267) 1.652 19.602 ( -0.271 5.246 -7.660) 9.289 19.671 ( 0.458 -2.279 -7.664) 8.009 24.048 ( 1.465 6.592 1.303) 6.877 24.181 ( 3.853 -4.171 0.815) 5.736 24.233 ( 0.283 3.115 -1.070) 3.305 24.371 ( 3.446 -8.307 -2.134) 9.243 26.446 ( -4.960 10.819 -0.666) 11.920 26.568 ( -3.654 4.669 -6.041) 8.464 26.811 ( 3.778 4.597 -2.014) 6.282 27.031 ( 7.147 -12.374 -7.829) 16.294 28.424 ( 0.710 1.731 -3.967) 4.386 28.454 ( 0.540 -1.408 -3.620) 3.921 28.535 ( 1.125 1.222 -4.497) 4.795 28.557 ( 1.244 -0.976 -4.761) 5.017 35.478 ( -6.441 9.310 20.170) 23.130 35.741 ( -7.729 -16.967 20.449) 27.673 35.986 ( -2.839 6.764 12.661) 14.633 36.189 ( -5.471 -16.961 18.438) 25.643 38.769 ( -2.098 1.604 9.956) 10.300 38.796 ( -2.635 -1.190 11.979) 12.323 40.412 ( 2.062 24.355 -35.878) 43.413 40.723 ( 2.981 -10.156 -32.212) 33.906 ======================= Grid point 109 (62/111) ======================= q-point: ( 0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 6.271 14.115 13.158) 20.290 1.551 ( 2.902 -15.891 8.972) 18.478 1.739 ( 1.165 17.131 6.345) 18.306 1.933 ( -0.693 -2.608 -5.400) 6.037 2.053 ( 5.317 3.370 -3.345) 7.129 2.201 ( 2.479 -10.656 10.030) 14.842 2.525 ( -5.823 6.646 25.595) 27.077 2.670 ( -5.403 -7.517 14.030) 16.809 2.872 ( 0.976 6.404 -2.430) 6.919 3.018 ( 0.590 -8.465 2.019) 8.722 3.532 ( 1.782 8.094 11.613) 14.268 3.648 ( 2.238 -3.811 14.712) 15.361 3.808 ( -0.434 0.555 6.727) 6.764 3.833 ( -1.343 -2.073 8.079) 8.448 4.196 ( 2.737 3.448 8.210) 9.316 4.242 ( 3.205 -0.879 6.226) 7.057 4.662 ( -0.108 0.835 -5.287) 5.354 4.682 ( 1.197 -1.214 -3.477) 3.872 5.393 ( -1.889 3.924 -1.870) 4.740 5.485 ( -0.780 -5.404 4.164) 6.867 5.762 ( 0.702 3.136 -1.701) 3.636 5.845 ( 0.784 -5.251 -7.863) 9.488 6.221 ( -1.061 4.712 6.498) 8.097 6.289 ( -1.949 -2.538 2.054) 3.802 6.453 ( -4.057 1.497 -3.649) 5.658 6.492 ( -5.082 -2.117 -4.141) 6.889 6.596 ( -2.670 8.019 3.773) 9.255 6.752 ( -2.252 -6.998 1.030) 7.423 6.983 ( -0.232 2.082 1.297) 2.464 7.032 ( -0.525 -3.050 -0.429) 3.125 7.183 ( -0.477 5.115 2.884) 5.892 7.250 ( 1.837 0.173 3.469) 3.929 7.304 ( -3.988 2.526 4.425) 6.471 7.410 ( -2.758 -7.051 7.740) 10.828 7.475 ( -1.256 4.069 4.488) 6.187 7.565 ( 2.185 -3.577 4.125) 5.880 7.630 ( -0.484 -0.542 3.794) 3.862 7.671 ( -0.152 -5.431 5.274) 7.572 8.063 ( -2.702 2.770 -0.088) 3.870 8.111 ( -2.433 -1.837 -0.960) 3.196 8.325 ( 2.126 0.265 -2.290) 3.136 8.330 ( 1.418 0.212 2.273) 2.687 8.543 ( 0.009 3.719 -2.425) 4.440 8.581 ( -0.922 -0.435 -1.813) 2.080 8.847 ( 0.746 1.768 -5.205) 5.548 8.892 ( -0.909 -2.621 -6.760) 7.307 8.946 ( 1.576 1.388 -3.870) 4.403 8.993 ( 1.591 -3.065 -1.842) 3.914 9.640 ( -8.501 1.216 12.467) 15.138 9.703 ( -8.259 -5.704 12.020) 15.660 10.042 ( -3.533 3.626 3.506) 6.158 10.098 ( -3.857 -2.345 3.583) 5.763 10.296 ( 0.393 2.702 9.212) 9.608 10.321 ( -6.335 2.120 8.925) 11.149 10.465 ( 2.795 -1.367 7.138) 7.787 10.502 ( 1.585 -3.554 3.869) 5.488 11.169 ( 0.507 3.925 11.264) 11.939 11.253 ( 0.717 -4.752 10.539) 11.583 11.662 ( -9.292 3.101 -2.172) 10.034 11.702 ( -9.944 -0.905 -1.735) 10.135 12.148 ( -1.916 3.045 2.413) 4.332 12.202 ( -1.942 -2.652 2.584) 4.181 12.689 ( 2.704 12.962 -4.347) 13.936 12.966 ( 8.504 -16.082 -9.256) 20.412 16.658 ( -1.654 5.111 7.231) 9.008 16.766 ( -1.678 -6.046 6.169) 8.799 17.183 ( 0.771 6.445 -0.662) 6.525 17.323 ( -0.647 -7.851 -0.753) 7.914 17.520 ( -1.799 3.200 0.745) 3.746 17.565 ( -0.411 -1.084 -2.283) 2.560 17.947 ( 1.433 0.535 -7.530) 7.684 17.953 ( 3.888 -0.215 -10.346) 11.055 19.253 ( 0.604 2.392 1.016) 2.668 19.303 ( 3.578 -2.629 0.766) 4.506 19.543 ( -1.375 7.157 -7.316) 10.327 19.653 ( 1.478 -4.352 -7.586) 8.870 24.059 ( -1.059 7.085 1.783) 7.383 24.209 ( -1.202 -7.600 2.577) 8.115 24.299 ( 6.753 8.302 -4.165) 11.484 24.482 ( 9.018 -9.895 -4.028) 13.980 26.355 ( -3.484 10.382 -0.607) 10.968 26.494 ( -1.624 -0.673 -1.474) 2.294 26.866 ( 3.359 11.123 -4.245) 12.370 27.154 ( 8.801 -15.688 -9.125) 20.170 28.413 ( 0.267 1.418 -4.133) 4.378 28.435 ( -0.412 -1.039 -3.830) 3.990 28.536 ( 1.347 1.073 -4.593) 4.905 28.554 ( 1.036 -0.843 -4.826) 5.007 35.451 ( -6.810 7.667 19.903) 22.389 35.676 ( -9.945 -15.674 21.763) 28.605 35.990 ( -3.477 6.395 12.779) 14.707 36.156 ( -7.044 -11.610 17.532) 22.176 38.734 ( -6.246 2.778 9.295) 11.539 38.787 ( -4.857 -2.596 12.549) 13.705 40.183 ( -6.595 25.991 -28.506) 39.136 40.541 ( -4.334 -12.660 -29.655) 32.534 ======================= Grid point 110 (63/111) ======================= q-point: ( 0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 9.947 9.048 11.666) 17.802 1.686 ( 5.339 -11.599 10.073) 16.263 1.782 ( 1.842 10.291 2.758) 10.813 1.922 ( 1.609 -4.450 -3.025) 5.616 2.178 ( 8.368 6.771 -3.770) 11.405 2.298 ( 2.022 -4.573 8.709) 10.043 2.540 ( -4.859 2.297 21.722) 22.377 2.624 ( -6.619 -5.671 14.623) 17.024 2.886 ( 1.209 5.864 -1.553) 6.185 3.036 ( -0.610 -9.122 4.528) 10.202 3.606 ( 1.019 8.303 7.241) 11.064 3.732 ( 0.973 -4.534 6.553) 8.028 3.847 ( -1.591 0.367 9.968) 10.101 3.855 ( -0.959 -0.390 11.845) 11.890 4.259 ( -0.321 2.726 3.360) 4.339 4.292 ( -0.909 -0.521 0.259) 1.079 4.640 ( 0.941 3.807 -0.500) 3.953 4.714 ( 2.295 -3.936 3.345) 5.653 5.404 ( 5.302 6.284 -5.675) 9.990 5.536 ( 5.003 -7.108 -0.022) 8.692 5.800 ( 1.917 2.084 5.540) 6.222 5.855 ( 2.380 -3.464 -1.072) 4.337 6.229 ( -2.946 3.525 6.744) 8.160 6.264 ( -3.010 -0.158 4.375) 5.313 6.330 ( -4.585 1.731 -6.784) 8.369 6.384 ( -0.950 -3.725 -6.036) 7.157 6.580 ( -2.324 6.348 4.286) 8.004 6.711 ( -2.298 -6.381 0.285) 6.788 6.981 ( -0.356 2.733 1.780) 3.281 7.031 ( -0.189 -3.117 0.999) 3.278 7.189 ( 0.128 5.303 0.911) 5.382 7.240 ( -4.853 2.259 5.066) 7.370 7.292 ( -0.564 -0.651 4.105) 4.194 7.366 ( -3.953 -7.186 2.496) 8.573 7.462 ( -1.432 9.166 5.003) 10.541 7.626 ( 2.030 -2.509 3.852) 5.026 7.665 ( 0.809 -2.117 7.156) 7.506 7.715 ( 0.765 -6.563 7.332) 9.870 8.009 ( -3.326 1.530 2.061) 4.202 8.047 ( -3.497 -2.192 0.902) 4.225 8.345 ( 1.500 1.435 -3.764) 4.298 8.368 ( 1.545 -0.556 -1.292) 2.090 8.512 ( -2.101 5.083 -1.377) 5.671 8.560 ( -0.301 -0.229 -0.923) 0.997 8.818 ( -0.411 0.123 -4.919) 4.937 8.847 ( -0.370 -2.814 -4.963) 5.717 8.962 ( 1.479 1.272 -4.028) 4.476 9.000 ( -0.166 -2.770 -1.439) 3.126 9.521 ( -9.731 2.751 13.258) 16.674 9.606 ( -7.287 -6.099 11.729) 15.095 10.020 ( -0.538 3.857 3.150) 5.009 10.071 ( -0.991 -1.336 2.447) 2.958 10.266 ( -4.857 3.242 11.574) 12.964 10.320 ( -2.858 -2.831 11.497) 12.180 10.564 ( 4.716 1.613 5.617) 7.510 10.611 ( 5.597 -3.076 5.554) 8.464 11.178 ( -4.258 3.569 5.650) 7.924 11.257 ( -4.145 -4.431 3.972) 7.252 11.481 ( -8.480 4.319 1.492) 9.633 11.530 ( -7.277 -0.760 0.957) 7.379 12.140 ( -0.724 2.822 2.705) 3.975 12.190 ( -0.943 -2.476 2.823) 3.872 12.704 ( 1.537 14.596 -5.156) 15.556 13.016 ( 2.487 -17.824 -10.839) 21.008 16.661 ( -1.763 4.814 7.196) 8.835 16.763 ( -1.776 -5.669 6.106) 8.519 17.188 ( -0.020 5.095 -0.223) 5.100 17.300 ( -1.240 -6.387 -0.912) 6.570 17.491 ( -1.387 2.663 1.130) 3.208 17.542 ( -0.609 -2.241 -1.493) 2.761 17.947 ( 2.182 2.184 -6.483) 7.181 17.984 ( 4.387 -1.792 -9.675) 10.773 19.272 ( 0.686 4.990 0.713) 5.087 19.370 ( 2.807 -4.923 0.378) 5.680 19.490 ( -0.145 9.763 -6.768) 11.881 19.652 ( 2.511 -6.945 -7.447) 10.488 24.030 ( -2.733 7.448 1.940) 8.167 24.185 ( -2.532 -7.662 2.418) 8.424 24.406 ( 6.790 11.307 -6.570) 14.734 24.648 ( 10.593 -12.841 -7.807) 18.386 26.316 ( -0.603 10.672 0.666) 10.710 26.493 ( 1.038 -5.690 2.256) 6.209 26.895 ( 2.106 16.525 -4.931) 17.373 27.250 ( 5.783 -18.607 -9.156) 21.528 28.394 ( 0.115 0.764 -4.371) 4.438 28.405 ( -0.486 -0.678 -3.997) 4.084 28.539 ( 1.498 0.937 -4.938) 5.245 28.549 ( 1.150 -0.258 -5.124) 5.258 35.422 ( -6.443 5.757 19.586) 21.407 35.591 ( -10.257 -12.109 22.999) 27.943 35.982 ( -4.010 5.879 12.682) 14.542 36.108 ( -6.719 -6.832 16.798) 19.339 38.644 ( -7.177 4.071 8.377) 11.759 38.739 ( -6.482 -5.293 12.536) 15.072 39.933 ( -5.682 24.810 -20.407) 32.623 40.304 ( -4.943 -14.306 -24.577) 28.864 ======================= Grid point 111 (64/111) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 4.814 10.551 5.650) 12.901 1.828 ( 5.571 -2.913 3.521) 7.205 1.864 ( 2.766 0.271 9.392) 9.795 1.953 ( 1.688 -6.357 2.616) 7.078 2.283 ( 4.415 5.750 -6.260) 9.579 2.372 ( 2.164 -2.348 5.692) 6.527 2.556 ( -4.454 0.428 18.352) 18.890 2.581 ( -5.915 -2.633 17.622) 18.774 2.893 ( 0.387 5.205 -2.232) 5.676 3.036 ( -1.700 -9.266 4.362) 10.381 3.647 ( -0.345 7.620 5.788) 9.575 3.765 ( -0.377 -4.473 4.154) 6.116 3.845 ( -3.311 1.951 9.083) 9.862 3.882 ( -3.030 -1.586 11.739) 12.227 4.208 ( -3.973 2.100 -3.578) 5.744 4.228 ( -2.425 -0.081 -6.736) 7.160 4.698 ( 2.118 5.273 7.936) 9.761 4.801 ( 2.271 -5.399 10.446) 11.976 5.532 ( 10.760 6.699 -6.738) 14.354 5.670 ( 8.894 -7.355 -1.882) 11.694 5.871 ( 0.811 1.684 9.325) 9.510 5.908 ( 1.659 -2.029 3.907) 4.704 6.135 ( -6.293 3.440 0.609) 7.198 6.179 ( -5.844 -1.122 2.051) 6.294 6.312 ( 2.788 3.720 -0.290) 4.658 6.404 ( 3.668 -5.630 -2.052) 7.026 6.548 ( -2.031 5.344 1.701) 5.964 6.676 ( -0.777 -7.083 -1.124) 7.213 6.987 ( -0.595 3.672 2.296) 4.371 7.025 ( -0.695 -1.024 0.600) 1.375 7.173 ( -4.666 2.493 6.797) 8.613 7.201 ( 0.624 3.581 0.618) 3.687 7.248 ( -5.614 -2.628 5.603) 8.356 7.314 ( -1.109 -5.960 -3.695) 7.099 7.496 ( 1.400 11.935 7.369) 14.096 7.677 ( 0.887 1.225 3.013) 3.371 7.718 ( 0.290 -6.106 8.991) 10.872 7.750 ( -0.901 -4.982 5.613) 7.560 7.960 ( -3.049 1.673 4.438) 5.638 8.012 ( -1.245 -3.447 4.776) 6.020 8.338 ( 0.288 1.733 -5.835) 6.094 8.367 ( -0.273 -1.030 -4.158) 4.292 8.472 ( -1.419 6.437 0.110) 6.592 8.555 ( 0.149 -1.642 -0.845) 1.852 8.791 ( -0.157 0.574 -3.922) 3.967 8.828 ( 0.337 -3.224 -3.135) 4.509 8.958 ( 0.486 0.285 -4.124) 4.162 8.977 ( -1.406 -2.063 -0.238) 2.508 9.423 ( -7.309 4.868 13.613) 16.200 9.546 ( -4.950 -7.665 10.795) 14.135 10.045 ( 1.482 2.949 2.095) 3.909 10.072 ( 0.225 0.021 0.041) 0.229 10.244 ( -4.268 3.259 13.736) 14.749 10.323 ( -2.911 -5.294 12.829) 14.180 10.677 ( 2.988 4.216 6.474) 8.283 10.756 ( 5.572 -3.629 7.253) 9.840 11.084 ( -5.225 2.350 -1.815) 6.009 11.156 ( -5.273 -5.171 -3.799) 8.305 11.353 ( -6.650 6.039 4.769) 10.170 11.424 ( -5.694 -1.377 4.454) 7.359 12.139 ( -0.930 2.713 3.244) 4.331 12.186 ( -1.183 -2.103 3.279) 4.071 12.708 ( 1.790 13.060 -5.079) 14.126 12.984 ( 0.578 -15.331 -10.119) 18.379 16.663 ( -1.799 4.600 7.220) 8.748 16.762 ( -1.518 -5.556 6.262) 8.508 17.179 ( -0.753 3.782 -0.157) 3.859 17.265 ( -1.807 -5.079 -1.065) 5.495 17.483 ( -0.192 2.307 1.726) 2.888 17.535 ( 0.452 -2.549 -1.072) 2.802 17.961 ( 2.341 2.849 -5.117) 6.307 18.019 ( 3.967 -3.227 -8.576) 9.985 19.280 ( -0.203 6.549 0.385) 6.564 19.410 ( 1.158 -6.700 0.161) 6.801 19.473 ( 1.816 12.043 -6.436) 13.775 19.673 ( 3.360 -8.509 -7.198) 11.641 23.980 ( -3.288 7.520 1.733) 8.388 24.140 ( -3.207 -8.407 2.179) 9.258 24.483 ( 4.993 14.777 -8.772) 17.895 24.787 ( 8.422 -15.987 -11.705) 21.529 26.333 ( 1.386 11.356 1.970) 11.609 26.543 ( 1.976 -9.862 4.685) 11.095 26.901 ( 1.252 19.987 -4.677) 20.565 27.286 ( 2.505 -19.394 -7.188) 20.835 28.377 ( 0.479 0.224 -4.392) 4.424 28.381 ( 0.221 -0.473 -4.301) 4.333 28.543 ( 1.508 1.029 -5.280) 5.586 28.548 ( 1.510 0.306 -5.508) 5.719 35.405 ( -5.540 4.478 19.393) 20.660 35.529 ( -8.259 -8.568 23.788) 26.599 35.965 ( -4.256 5.523 12.321) 14.157 36.070 ( -5.882 -4.881 16.049) 17.776 38.559 ( -5.634 4.003 7.459) 10.169 38.675 ( -6.332 -7.236 11.987) 15.367 39.768 ( -1.784 23.026 -16.178) 28.197 40.128 ( -1.210 -14.530 -20.217) 24.926 ======================= Grid point 112 (65/111) ======================= q-point: ( 0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -3.301 11.788 1.780) 12.370 1.861 ( -4.507 -3.356 2.760) 6.260 1.946 ( 0.808 0.490 7.438) 7.498 2.039 ( 3.675 -7.596 7.398) 11.222 2.317 ( 2.006 5.333 -1.324) 5.850 2.424 ( 1.600 -5.381 1.302) 5.763 2.539 ( -8.034 2.466 20.804) 22.438 2.568 ( -4.309 0.175 13.379) 14.057 2.884 ( 0.385 5.031 -3.085) 5.914 3.021 ( -1.398 -8.732 2.345) 9.149 3.635 ( -4.407 6.513 5.448) 9.567 3.738 ( -5.492 -3.942 4.076) 7.894 3.825 ( -2.993 2.146 9.599) 10.281 3.869 ( -2.956 -2.138 8.479) 9.231 4.126 ( -1.625 2.874 -4.863) 5.878 4.166 ( 0.186 -1.208 -7.553) 7.651 4.766 ( -0.196 5.557 9.875) 11.333 4.876 ( -0.743 -5.700 11.411) 12.777 5.721 ( 10.861 5.257 -4.795) 12.984 5.811 ( 2.574 -3.365 4.262) 6.009 5.904 ( -2.377 0.872 8.424) 8.796 5.932 ( 1.809 -2.098 -2.021) 3.430 6.064 ( -1.268 2.474 2.085) 3.474 6.113 ( -2.178 -2.118 4.203) 5.187 6.388 ( 4.811 3.580 0.489) 6.016 6.466 ( 3.603 -4.603 -2.084) 6.205 6.543 ( 1.200 4.599 1.773) 5.073 6.685 ( 2.506 -9.321 -1.151) 9.720 6.963 ( -2.055 5.638 0.192) 6.004 7.021 ( -0.832 0.427 1.993) 2.202 7.136 ( -2.810 1.584 6.524) 7.278 7.175 ( -4.142 -2.468 4.530) 6.616 7.220 ( 1.379 1.841 -1.252) 2.619 7.271 ( -1.749 -3.202 -2.792) 4.595 7.571 ( 1.610 10.000 8.331) 13.115 7.668 ( -3.456 3.320 5.539) 7.324 7.733 ( -2.598 -3.391 1.654) 4.581 7.773 ( 0.319 -8.902 9.271) 12.857 7.960 ( 0.441 3.875 5.938) 7.104 8.042 ( 1.046 -3.990 6.176) 7.427 8.299 ( -1.334 0.631 -5.779) 5.965 8.310 ( -3.119 -0.298 -5.973) 6.745 8.459 ( -0.039 6.425 0.015) 6.425 8.557 ( 0.612 -2.645 -1.040) 2.907 8.769 ( -0.222 1.760 -3.172) 3.634 8.824 ( 0.331 -3.758 -1.169) 3.950 8.949 ( 0.800 -0.189 -3.806) 3.893 8.959 ( -0.121 -1.228 -0.074) 1.236 9.383 ( -4.114 5.712 14.171) 15.823 9.524 ( -2.966 -8.732 10.911) 14.286 10.076 ( 0.485 1.629 -0.643) 1.817 10.085 ( 0.908 0.808 1.774) 2.151 10.238 ( -3.496 4.485 14.005) 15.116 10.346 ( -1.687 -7.044 13.700) 15.497 10.707 ( -3.395 6.314 4.175) 8.296 10.826 ( -4.223 -5.059 4.661) 8.072 11.033 ( 2.111 0.542 0.077) 2.181 11.074 ( -0.499 -3.806 -2.268) 4.458 11.273 ( -3.108 6.157 2.477) 7.328 11.354 ( -2.917 -2.093 2.802) 4.554 12.137 ( -1.245 2.506 3.926) 4.821 12.180 ( -1.273 -1.939 3.830) 4.478 12.722 ( 2.195 11.924 -4.939) 13.092 12.965 ( 2.846 -13.036 -8.795) 15.981 16.666 ( -1.759 4.770 7.279) 8.879 16.769 ( -1.200 -5.827 6.589) 8.878 17.160 ( -1.041 2.864 -0.331) 3.065 17.227 ( -1.313 -4.060 -1.216) 4.437 17.495 ( 0.175 2.168 1.947) 2.919 17.542 ( 0.550 -2.245 -0.800) 2.446 17.986 ( 2.608 2.752 -4.175) 5.640 18.049 ( 3.407 -3.889 -7.712) 9.285 19.272 ( -0.615 7.347 0.024) 7.373 19.420 ( -0.027 -7.814 -0.038) 7.814 19.488 ( 2.837 13.103 -6.179) 14.762 19.703 ( 3.402 -9.112 -6.915) 11.934 23.929 ( -2.604 7.316 1.597) 7.928 24.091 ( -2.819 -9.074 2.251) 9.765 24.504 ( 2.184 16.768 -10.341) 19.821 24.838 ( 3.516 -17.392 -14.264) 22.766 26.383 ( 2.336 11.748 3.109) 12.375 26.603 ( 1.397 -10.618 5.497) 12.038 26.898 ( 0.712 20.199 -4.021) 20.607 27.284 ( 0.966 -19.419 -5.981) 20.342 28.369 ( 1.038 0.012 -4.220) 4.346 28.373 ( 1.269 -0.423 -4.375) 4.575 28.544 ( 1.507 1.260 -5.588) 5.923 28.550 ( 1.657 0.491 -5.796) 6.049 35.407 ( -4.516 4.405 19.500) 20.495 35.520 ( -5.341 -7.445 24.642) 26.291 35.946 ( -4.055 5.329 11.877) 13.634 36.045 ( -5.032 -4.507 15.266) 16.694 38.508 ( -3.424 3.615 7.048) 8.630 38.626 ( -4.699 -7.721 11.189) 14.383 39.702 ( 3.044 22.687 -14.549) 27.123 40.061 ( 4.429 -14.799 -17.773) 23.547 ======================= Grid point 113 (66/111) ======================= q-point: (-0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -9.057 7.823 3.751) 12.542 1.729 ( -9.960 -5.590 4.647) 12.330 1.955 ( -3.188 7.472 5.856) 10.014 2.123 ( 0.722 -8.319 7.866) 11.472 2.346 ( 1.080 5.549 -0.755) 5.703 2.436 ( -3.989 -1.997 0.844) 4.541 2.481 ( -4.569 0.951 14.567) 15.297 2.528 ( -7.535 -2.338 19.351) 20.897 2.889 ( 1.861 4.992 -2.567) 5.914 3.012 ( 0.032 -6.681 -0.954) 6.749 3.532 ( -8.764 4.358 6.143) 11.555 3.605 ( -9.770 -2.644 5.162) 11.362 3.827 ( -2.425 1.400 10.172) 10.551 3.863 ( -2.081 -2.159 7.502) 8.079 4.096 ( 0.658 3.723 -4.528) 5.899 4.155 ( 1.984 -2.111 -6.983) 7.561 4.787 ( -2.230 4.887 8.211) 9.812 4.882 ( -4.009 -4.921 9.270) 11.235 5.786 ( -6.817 0.602 10.823) 12.805 5.797 ( -5.888 -0.401 9.592) 11.262 5.944 ( 8.498 5.122 -6.872) 12.070 5.996 ( 2.854 2.830 -1.183) 4.190 6.080 ( 2.261 -3.409 0.512) 4.123 6.126 ( 1.106 -5.374 1.511) 5.691 6.499 ( 6.693 2.222 -0.985) 7.121 6.532 ( 4.402 -1.106 0.046) 4.539 6.623 ( 5.189 2.964 3.429) 6.890 6.738 ( 1.961 -8.268 1.009) 8.557 6.927 ( -0.957 5.702 -2.813) 6.429 7.000 ( -2.264 -0.684 1.099) 2.607 7.122 ( -1.985 1.015 6.785) 7.142 7.135 ( -1.834 -1.851 3.055) 4.016 7.226 ( -1.964 1.288 0.290) 2.367 7.239 ( 1.645 0.105 -3.916) 4.249 7.578 ( -4.238 4.660 4.970) 8.023 7.650 ( -3.631 -1.627 7.197) 8.224 7.722 ( 2.186 1.828 5.410) 6.114 7.821 ( 0.120 -6.808 8.767) 11.100 8.015 ( 1.859 4.896 3.529) 6.315 8.104 ( 2.255 -3.237 5.185) 6.515 8.192 ( -5.423 1.308 -6.911) 8.882 8.227 ( -3.145 -1.614 -3.835) 5.215 8.468 ( 0.897 6.438 -0.058) 6.500 8.569 ( 1.277 -3.322 -1.610) 3.906 8.752 ( 0.098 2.864 -3.047) 4.183 8.828 ( 0.470 -4.265 -0.046) 4.291 8.952 ( 1.655 0.188 -4.077) 4.404 8.969 ( 0.976 -0.856 -0.272) 1.326 9.409 ( -0.961 5.542 15.355) 16.353 9.546 ( -0.719 -8.793 12.006) 14.899 10.079 ( -0.482 0.997 2.167) 2.433 10.089 ( -1.130 0.340 1.086) 1.604 10.267 ( -0.727 5.650 14.158) 15.261 10.392 ( -0.920 -7.185 12.881) 14.778 10.617 ( -5.989 3.173 1.530) 6.948 10.694 ( -8.564 -4.220 0.225) 9.550 11.051 ( -2.678 1.336 4.068) 5.051 11.087 ( -0.928 -2.945 2.348) 3.879 11.301 ( 5.665 6.083 0.875) 8.358 11.387 ( 6.042 -2.718 1.036) 6.706 12.129 ( -1.743 2.528 4.048) 5.080 12.176 ( -1.224 -2.325 3.816) 4.633 12.742 ( 2.461 13.343 -4.758) 14.378 13.003 ( 5.154 -13.659 -8.533) 16.910 16.668 ( -1.837 5.206 7.257) 9.118 16.780 ( -1.264 -6.259 6.786) 9.318 17.138 ( -0.888 3.085 -0.624) 3.270 17.209 ( 0.212 -4.084 -1.402) 4.323 17.503 ( -0.262 2.267 1.444) 2.700 17.545 ( 0.128 -1.703 -0.391) 1.752 18.017 ( 2.710 2.105 -4.052) 5.310 18.070 ( 2.680 -3.351 -7.681) 8.798 19.258 ( -0.846 7.333 -0.318) 7.389 19.408 ( -1.125 -8.089 -0.407) 8.177 19.517 ( 3.311 12.943 -5.794) 14.562 19.731 ( 3.011 -9.128 -6.688) 11.710 23.901 ( -1.120 7.031 1.682) 7.315 24.059 ( -1.695 -9.207 2.615) 9.720 24.466 ( -0.371 16.148 -10.694) 19.372 24.780 ( -1.724 -16.179 -14.266) 21.639 26.446 ( 2.139 11.834 4.028) 12.683 26.649 ( 0.642 -6.342 4.626) 7.876 26.884 ( -0.384 16.552 -3.395) 16.901 27.263 ( 0.334 -20.071 -7.790) 21.533 28.375 ( 1.713 0.161 -4.049) 4.399 28.383 ( 1.895 -0.635 -3.981) 4.455 28.544 ( 1.520 1.320 -5.695) 6.040 28.552 ( 1.582 0.467 -5.970) 6.193 35.428 ( -3.797 5.605 19.894) 21.015 35.571 ( -2.787 -9.419 25.592) 27.412 35.933 ( -3.439 5.333 11.613) 13.233 36.034 ( -3.938 -4.787 14.925) 16.161 38.500 ( -1.109 3.693 7.438) 8.378 38.612 ( -2.446 -7.054 10.569) 12.940 39.742 ( 8.877 23.950 -14.391) 29.317 40.120 ( 10.852 -15.479 -17.356) 25.663 ======================= Grid point 114 (67/111) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -12.096 7.336 7.363) 15.948 1.583 ( -7.388 -9.014 7.618) 13.924 1.888 ( -7.289 14.468 7.533) 17.866 2.143 ( -3.409 -10.486 9.749) 14.718 2.309 ( -2.788 3.393 -10.132) 11.042 2.334 ( -5.594 0.743 0.832) 5.704 2.440 ( -6.953 4.569 21.792) 23.326 2.555 ( -1.721 -6.448 18.459) 19.628 2.922 ( 2.271 4.166 -2.433) 5.331 3.008 ( 0.661 -3.637 -3.625) 5.177 3.398 ( -8.181 1.399 9.667) 12.741 3.441 ( -10.241 -2.700 8.290) 13.450 3.826 ( -3.130 1.146 10.417) 10.937 3.857 ( -2.386 -1.719 6.839) 7.445 4.089 ( 0.386 4.269 -3.530) 5.553 4.154 ( 1.067 -2.240 -5.747) 6.260 4.776 ( -2.103 2.598 4.873) 5.909 4.825 ( -5.548 -2.678 5.974) 8.581 5.697 ( -7.867 0.026 11.384) 13.837 5.705 ( -7.795 -0.667 10.451) 13.055 6.011 ( 0.969 5.287 -5.796) 7.905 6.058 ( 4.235 6.043 2.564) 7.812 6.135 ( 0.963 -7.515 -6.861) 10.221 6.173 ( 5.928 -5.312 2.550) 8.358 6.592 ( 2.447 3.067 -3.638) 5.351 6.633 ( 3.458 -0.275 0.911) 3.586 6.750 ( 3.660 -0.735 4.969) 6.215 6.751 ( 1.654 -0.392 3.423) 3.821 6.907 ( 1.042 1.384 -3.917) 4.283 6.952 ( -1.269 -2.062 -2.772) 3.680 7.130 ( -1.068 1.431 8.954) 9.130 7.151 ( 1.300 0.001 2.055) 2.432 7.198 ( -1.758 1.584 3.676) 4.372 7.238 ( 0.498 -1.467 -4.431) 4.694 7.516 ( -4.460 3.886 4.977) 7.731 7.606 ( -3.787 -4.494 6.033) 8.422 7.818 ( 3.208 1.359 6.493) 7.368 7.872 ( 0.754 -4.024 7.198) 8.281 8.013 ( -2.408 2.699 -4.510) 5.781 8.040 ( -5.749 0.595 -6.241) 8.506 8.183 ( 3.000 -0.358 4.197) 5.171 8.195 ( 1.005 -0.990 3.276) 3.567 8.489 ( 1.399 5.500 -0.571) 5.704 8.583 ( 1.081 -3.244 -2.562) 4.272 8.744 ( 0.859 3.554 -3.442) 5.022 8.839 ( 0.712 -4.568 -0.598) 4.661 8.969 ( 2.244 0.615 -4.378) 4.958 8.989 ( 1.207 -0.481 -0.370) 1.351 9.494 ( 1.257 4.471 15.956) 16.618 9.611 ( 0.559 -8.006 12.669) 14.997 10.067 ( -1.386 1.633 3.004) 3.689 10.092 ( 0.226 -0.905 3.325) 3.453 10.349 ( 1.299 3.732 15.065) 15.575 10.401 ( -3.976 -0.738 4.707) 6.206 10.534 ( -6.949 -2.665 1.353) 7.564 10.556 ( -2.971 -5.216 10.103) 11.751 10.998 ( -3.699 2.541 1.742) 4.814 11.050 ( -2.928 -3.145 0.676) 4.350 11.470 ( 9.956 6.968 3.669) 12.694 11.558 ( 9.417 -2.558 2.759) 10.141 12.112 ( -1.842 3.022 3.573) 5.029 12.171 ( -0.955 -3.115 3.310) 4.645 12.763 ( 1.757 14.364 -4.570) 15.176 13.045 ( 3.097 -14.993 -9.991) 18.281 16.667 ( -2.091 5.580 7.097) 9.267 16.786 ( -1.721 -6.603 6.628) 9.513 17.124 ( -0.076 4.460 -0.984) 4.568 17.222 ( 1.822 -5.323 -1.475) 5.817 17.500 ( -0.408 2.988 0.409) 3.043 17.546 ( 0.245 -1.640 -0.034) 1.658 18.042 ( 2.027 1.164 -4.856) 5.389 18.070 ( 1.480 -1.704 -8.327) 8.628 19.237 ( -1.072 6.366 -0.356) 6.465 19.373 ( -2.249 -7.511 -0.590) 7.863 19.555 ( 3.598 11.670 -5.656) 13.459 19.748 ( 2.194 -8.282 -6.666) 10.856 23.905 ( 0.575 6.707 1.842) 6.979 24.053 ( -0.431 -8.453 2.920) 8.953 24.392 ( -1.715 12.857 -9.502) 16.079 24.645 ( -4.914 -13.177 -11.815) 18.367 26.498 ( 0.768 12.168 4.748) 13.084 26.675 ( 0.420 1.934 1.911) 2.751 26.847 ( -1.827 9.206 -2.581) 9.734 27.210 ( -0.970 -20.366 -11.688) 23.502 28.392 ( 2.101 0.391 -3.811) 4.369 28.404 ( 2.149 -0.807 -3.506) 4.191 28.545 ( 1.504 1.005 -5.491) 5.781 28.551 ( 1.474 0.359 -6.006) 6.195 35.458 ( -3.751 7.551 20.280) 21.963 35.660 ( -1.808 -13.772 25.292) 28.855 35.933 ( -2.628 5.700 11.759) 13.329 36.049 ( -2.394 -6.289 15.907) 17.272 38.542 ( 1.217 3.943 8.586) 9.526 38.639 ( -0.335 -5.554 10.316) 11.721 39.900 ( 15.584 26.033 -16.235) 34.412 40.295 ( 16.639 -15.537 -19.236) 29.804 ======================= Grid point 115 (68/111) ======================= q-point: (-0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -9.353 12.711 10.814) 19.131 1.523 ( -3.537 -14.339 8.468) 17.024 1.760 ( -9.980 19.855 10.228) 24.463 2.089 ( -7.063 -11.899 10.380) 17.298 2.204 ( -3.089 1.869 -8.934) 9.636 2.221 ( -3.826 -2.036 -4.139) 5.993 2.448 ( -5.547 9.680 25.916) 28.216 2.613 ( -1.728 -6.722 16.940) 18.307 2.925 ( -0.196 2.791 -3.842) 4.753 3.008 ( 1.084 -4.338 -3.796) 5.865 3.325 ( -6.455 0.607 14.098) 15.518 3.346 ( -3.376 -1.251 12.848) 13.343 3.816 ( -3.194 0.904 10.392) 10.910 3.842 ( -2.478 -1.459 6.104) 6.748 4.072 ( -0.681 4.305 -1.283) 4.543 4.137 ( -0.182 -2.298 -3.457) 4.155 4.742 ( -4.724 0.185 2.457) 5.328 4.757 ( -1.604 -0.901 1.032) 2.109 5.608 ( -7.328 -0.365 11.757) 13.859 5.620 ( -6.539 -1.337 10.731) 12.637 5.978 ( 0.132 4.886 -12.004) 12.961 6.092 ( -0.602 -6.968 -10.279) 12.433 6.149 ( 2.274 8.363 7.610) 11.534 6.299 ( 4.668 -6.585 3.947) 8.985 6.538 ( -3.876 3.403 -3.070) 6.002 6.601 ( -4.640 -3.381 -0.757) 5.791 6.836 ( 4.580 4.352 3.982) 7.468 6.849 ( 2.039 3.415 -2.445) 4.669 6.938 ( 1.025 -2.485 0.713) 2.781 6.949 ( 3.877 -3.984 -1.062) 5.660 7.154 ( -0.186 1.892 2.509) 3.148 7.184 ( 0.758 2.631 7.030) 7.544 7.200 ( -0.074 -2.663 -1.916) 3.282 7.236 ( 0.036 -2.819 7.184) 7.718 7.465 ( -3.282 3.751 5.538) 7.451 7.562 ( -4.091 -5.501 5.973) 9.092 7.843 ( -2.950 0.435 -3.883) 4.896 7.845 ( -4.606 0.416 -5.089) 6.876 7.980 ( 2.087 0.377 3.324) 3.944 7.993 ( 1.645 -0.933 5.457) 5.775 8.240 ( 1.479 2.130 2.168) 3.379 8.271 ( 3.446 -1.223 2.963) 4.706 8.516 ( 1.749 3.522 -0.891) 4.031 8.584 ( 0.831 -2.063 -3.753) 4.362 8.751 ( 1.802 3.984 -3.881) 5.846 8.852 ( 1.434 -4.332 -1.852) 4.925 8.988 ( 1.858 0.643 -4.730) 5.122 9.008 ( 0.979 -0.516 -0.776) 1.351 9.603 ( 1.467 2.287 14.443) 14.696 9.684 ( 0.258 -6.574 12.197) 13.858 10.077 ( 0.892 2.799 3.069) 4.248 10.127 ( 1.488 -1.972 3.357) 4.168 10.320 ( -5.173 2.270 3.458) 6.624 10.391 ( -4.202 -5.018 1.259) 6.665 10.496 ( 0.656 2.029 18.071) 18.196 10.593 ( -2.142 -6.395 15.901) 17.272 10.943 ( -2.012 2.386 0.369) 3.143 10.996 ( -2.285 -3.339 -0.301) 4.057 11.701 ( 10.483 4.848 5.961) 12.997 11.743 ( 7.585 0.113 3.854) 8.509 12.108 ( 0.352 4.160 3.207) 5.264 12.184 ( 1.012 -3.417 2.830) 4.551 12.746 ( -1.310 11.937 -4.569) 12.848 12.989 ( -3.588 -13.420 -11.806) 18.230 16.660 ( -2.258 5.673 6.951) 9.252 16.781 ( -2.145 -6.714 6.300) 9.454 17.127 ( 0.945 6.236 -1.362) 6.453 17.261 ( 2.892 -7.331 -1.439) 8.011 17.499 ( 0.428 3.886 -0.226) 3.916 17.554 ( 0.678 -1.652 -0.380) 1.825 18.035 ( 0.353 0.649 -8.720) 8.751 18.047 ( 0.537 -0.414 -6.524) 6.559 19.216 ( -0.883 4.695 0.069) 4.778 19.321 ( -2.794 -5.969 -0.088) 6.592 19.594 ( 3.429 9.396 -6.222) 11.780 19.744 ( 0.892 -6.256 -7.002) 9.432 23.940 ( 2.029 6.292 1.807) 6.854 24.071 ( 0.752 -6.596 2.711) 7.171 24.313 ( -1.930 7.902 -6.788) 10.594 24.491 ( -5.295 -9.986 -7.926) 13.805 26.525 ( -0.395 12.732 4.673) 13.568 26.689 ( 1.490 13.110 -3.695) 13.702 26.789 ( -3.352 -2.376 0.067) 4.109 27.107 ( -2.567 -18.186 -13.885) 23.024 28.413 ( 1.954 0.812 -3.844) 4.387 28.428 ( 2.077 -0.888 -3.070) 3.812 28.544 ( 1.155 0.699 -5.252) 5.423 28.551 ( 1.647 -0.073 -5.618) 5.855 35.484 ( -4.449 9.270 20.408) 22.852 35.738 ( -3.148 -16.889 22.529) 28.332 35.949 ( -2.099 6.247 12.209) 13.874 36.104 ( -1.166 -11.175 18.285) 21.462 38.628 ( 2.527 3.472 9.861) 10.755 38.698 ( 0.769 -3.572 10.439) 11.060 40.162 ( 20.736 26.701 -22.277) 40.487 40.537 ( 18.703 -13.591 -23.843) 33.212 ======================= Grid point 116 (69/111) ======================= q-point: (-0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -5.973 17.497 11.111) 21.570 1.508 ( -2.601 -17.220 6.891) 18.729 1.651 ( -6.185 23.175 12.981) 27.274 2.016 ( -3.917 -10.501 6.090) 12.755 2.097 ( -3.259 2.508 -7.973) 8.971 2.154 ( -2.652 -7.007 0.384) 7.502 2.476 ( -5.727 10.824 27.416) 30.026 2.657 ( -2.195 -7.084 15.327) 17.027 2.899 ( -0.578 2.702 -2.622) 3.809 3.000 ( 0.561 -7.169 -3.922) 8.191 3.336 ( -1.030 4.848 16.636) 17.358 3.395 ( 0.480 -1.628 16.073) 16.162 3.814 ( -2.529 -0.129 9.990) 10.306 3.824 ( -2.151 -0.969 4.686) 5.246 4.064 ( 0.012 4.005 2.286) 4.612 4.125 ( 0.140 -2.198 0.067) 2.203 4.678 ( -2.165 1.688 -0.274) 2.759 4.730 ( -0.825 -3.142 -2.263) 3.959 5.535 ( -6.386 -0.022 10.938) 12.665 5.559 ( -5.463 -2.218 10.210) 11.790 5.894 ( -1.231 5.118 -15.692) 16.552 6.008 ( -1.763 -6.438 -13.349) 14.925 6.210 ( -0.817 8.858 8.903) 12.586 6.353 ( -0.893 -4.741 1.964) 5.209 6.498 ( -0.078 0.422 0.543) 0.693 6.525 ( -1.694 -2.778 2.347) 4.012 6.815 ( -2.609 4.278 -5.144) 7.181 6.885 ( -2.649 0.535 -3.470) 4.398 6.934 ( 1.550 1.802 2.222) 3.254 7.037 ( 2.296 -5.286 1.956) 6.086 7.167 ( 0.401 1.111 2.704) 2.951 7.179 ( -0.415 -0.527 -1.073) 1.265 7.263 ( 2.397 0.869 9.698) 10.027 7.300 ( 1.291 -3.202 10.855) 11.391 7.455 ( -0.544 0.892 5.204) 5.308 7.513 ( -3.702 -4.488 5.091) 7.731 7.725 ( -4.347 1.584 -4.077) 6.167 7.753 ( -3.302 -1.148 -4.696) 5.854 8.056 ( 2.713 0.817 4.164) 5.036 8.070 ( 2.641 -0.390 4.827) 5.516 8.263 ( 0.377 3.657 0.903) 3.786 8.325 ( 1.174 -2.601 -0.201) 2.861 8.541 ( 1.132 2.476 -1.069) 2.924 8.585 ( 1.565 -1.117 -4.222) 4.639 8.777 ( 3.011 4.449 -3.886) 6.630 8.879 ( 2.848 -4.191 -3.516) 6.167 8.987 ( 0.658 0.435 -5.313) 5.371 9.011 ( -0.251 -1.063 -1.549) 1.895 9.683 ( -0.578 0.711 12.803) 12.836 9.740 ( -0.821 -5.374 11.511) 12.730 10.125 ( 2.798 3.650 0.883) 4.683 10.158 ( -0.304 0.634 -0.190) 0.728 10.264 ( -3.715 1.470 9.316) 10.137 10.323 ( -2.696 -4.944 2.616) 6.209 10.559 ( -4.953 -2.743 14.609) 15.668 10.590 ( -6.286 -4.137 11.950) 14.121 10.962 ( 3.063 0.789 5.301) 6.173 10.998 ( 2.514 -3.128 5.021) 6.428 11.832 ( 1.588 3.985 2.002) 4.734 11.898 ( 3.026 -2.860 5.389) 6.810 12.192 ( 6.018 3.488 2.833) 7.511 12.236 ( 2.174 -1.195 2.016) 3.197 12.677 ( -2.648 6.974 -3.858) 8.398 12.811 ( -6.384 -6.786 -10.389) 13.955 16.654 ( -2.068 5.517 7.008) 9.155 16.771 ( -2.069 -6.600 6.197) 9.287 17.144 ( 1.542 7.525 -1.522) 7.831 17.308 ( 2.331 -9.175 -1.269) 9.551 17.516 ( 1.434 4.173 -0.408) 4.432 17.567 ( 0.902 -0.891 -1.212) 1.754 17.986 ( 0.004 1.491 -9.960) 10.071 18.016 ( -0.331 -1.366 -6.973) 7.113 19.209 ( 0.173 2.876 0.665) 2.957 19.273 ( -2.164 -3.605 0.817) 4.283 19.618 ( 2.369 6.541 -7.160) 9.983 19.712 ( -0.261 -3.504 -7.497) 8.280 23.996 ( 2.748 6.093 1.456) 6.841 24.111 ( 2.361 -4.022 1.746) 4.980 24.256 ( -1.324 3.173 -3.129) 4.649 24.380 ( -2.555 -8.099 -3.942) 9.362 26.520 ( -2.522 12.239 2.329) 12.711 26.667 ( -1.050 16.214 -10.968) 19.603 26.757 ( 0.325 -6.768 3.947) 7.841 27.006 ( 0.011 -13.923 -10.959) 17.719 28.425 ( 1.293 1.440 -3.899) 4.352 28.450 ( 1.656 -1.189 -3.189) 3.785 28.538 ( 0.995 0.942 -4.880) 5.069 28.555 ( 1.525 -0.716 -5.056) 5.329 35.491 ( -5.512 9.937 20.337) 23.297 35.764 ( -5.337 -17.116 20.333) 27.109 35.971 ( -2.266 6.663 12.492) 14.338 36.170 ( -2.491 -17.004 19.224) 25.786 38.721 ( 1.324 2.314 10.375) 10.712 38.763 ( -0.015 -1.933 11.003) 11.172 40.405 ( 16.601 24.542 -32.259) 43.801 40.723 ( 13.368 -10.539 -29.638) 34.179 ======================= Grid point 135 (70/111) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 2.515 0.000 20.439) 20.593 1.271 ( -0.613 0.000 12.993) 13.007 1.643 ( -0.810 0.000 -9.415) 9.450 1.782 ( -0.091 0.000 -11.948) 11.949 2.181 ( 0.358 0.000 9.667) 9.673 2.512 ( -0.207 0.000 -3.558) 3.564 2.791 ( -2.553 0.000 3.145) 4.051 2.807 ( 1.442 0.000 -2.802) 3.152 3.114 ( -6.882 0.000 25.939) 26.837 3.397 ( -3.914 0.000 13.314) 13.877 3.450 ( 3.825 0.000 16.100) 16.548 3.755 ( 1.446 0.000 -3.307) 3.609 3.768 ( 2.775 0.000 6.248) 6.837 4.009 ( -2.938 0.000 -6.910) 7.508 4.089 ( 6.046 0.000 9.103) 10.928 4.259 ( 2.562 0.000 12.682) 12.938 4.631 ( -3.886 0.000 -6.927) 7.943 4.772 ( -1.458 0.000 6.982) 7.133 5.188 ( -3.432 0.000 -15.118) 15.503 5.635 ( -2.328 0.000 -18.229) 18.377 5.893 ( -1.547 0.000 11.101) 11.209 5.911 ( -1.087 0.000 8.579) 8.647 6.219 ( 2.092 0.000 8.812) 9.057 6.375 ( -3.697 0.000 -5.523) 6.647 6.417 ( 1.191 0.000 -1.264) 1.737 6.454 ( -0.556 0.000 -4.137) 4.174 6.572 ( -4.968 0.000 -1.468) 5.180 6.605 ( -0.113 0.000 -6.630) 6.631 7.082 ( -4.827 0.000 2.484) 5.429 7.168 ( 3.549 0.000 -0.713) 3.620 7.187 ( -3.043 0.000 3.050) 4.308 7.210 ( 2.125 0.000 0.143) 2.130 7.381 ( 1.342 0.000 0.741) 1.532 7.424 ( -3.683 0.000 -1.547) 3.994 7.661 ( -0.673 0.000 6.335) 6.370 7.749 ( 2.987 0.000 8.838) 9.329 7.829 ( 5.655 0.000 5.427) 7.837 7.838 ( -4.317 0.000 5.342) 6.868 8.059 ( 0.274 0.000 -1.034) 1.070 8.085 ( -2.411 0.000 -1.223) 2.704 8.305 ( -1.323 0.000 4.124) 4.331 8.392 ( -0.436 0.000 3.839) 3.864 8.395 ( -0.442 0.000 -0.039) 0.444 8.603 ( 1.771 0.000 0.776) 1.933 8.770 ( 1.639 0.000 -7.010) 7.199 8.801 ( 1.978 0.000 -6.028) 6.344 8.887 ( 0.358 0.000 -1.660) 1.698 9.002 ( 1.014 0.000 -3.417) 3.565 9.858 ( -0.626 0.000 2.573) 2.648 9.940 ( -0.829 0.000 -2.927) 3.042 10.039 ( -4.465 0.000 5.031) 6.727 10.177 ( 0.958 0.000 -0.694) 1.183 10.360 ( 5.882 0.000 10.500) 12.036 10.545 ( -11.917 0.000 -1.060) 11.964 10.569 ( 2.141 0.000 6.219) 6.577 10.727 ( -5.570 0.000 -0.312) 5.579 11.264 ( 0.588 0.000 12.853) 12.866 11.540 ( -2.047 0.000 11.128) 11.315 11.607 ( -2.355 0.000 -4.826) 5.370 11.945 ( -14.209 0.000 -6.450) 15.604 12.175 ( -5.039 0.000 7.257) 8.835 12.328 ( 3.197 0.000 2.816) 4.260 12.463 ( -4.149 0.000 -1.512) 4.416 12.683 ( 24.055 0.000 -16.851) 29.370 16.730 ( -2.732 0.000 11.137) 11.467 17.004 ( 1.619 0.000 1.539) 2.234 17.013 ( -2.221 0.000 2.342) 3.227 17.200 ( 4.647 0.000 -12.404) 13.246 17.482 ( 0.288 0.000 3.557) 3.568 17.707 ( -0.688 0.000 -6.477) 6.514 17.801 ( -1.228 0.000 2.521) 2.804 17.957 ( -0.882 0.000 -2.544) 2.693 19.243 ( 3.970 0.000 1.457) 4.229 19.327 ( -2.490 0.000 -2.659) 3.643 19.339 ( -2.740 0.000 3.483) 4.431 19.558 ( 1.727 0.000 -7.592) 7.786 23.934 ( 1.008 0.000 1.595) 1.887 24.023 ( 0.558 0.000 -2.366) 2.431 24.473 ( 0.622 0.000 3.434) 3.490 24.581 ( 2.501 0.000 -1.991) 3.196 26.058 ( 3.453 0.000 1.698) 3.847 26.142 ( -4.251 0.000 -2.146) 4.762 26.980 ( -4.987 0.000 3.428) 6.052 27.152 ( 7.524 0.000 -6.068) 9.666 28.328 ( -0.016 0.000 -0.984) 0.984 28.415 ( 0.718 0.000 -4.642) 4.697 28.445 ( 0.056 0.000 -1.325) 1.327 28.487 ( 1.224 0.000 -3.589) 3.792 35.644 ( -3.935 0.000 13.905) 14.451 35.921 ( 0.096 0.000 0.751) 0.758 36.454 ( -2.605 0.000 20.602) 20.766 37.249 ( -7.709 0.000 -19.982) 21.417 38.857 ( -6.694 0.000 3.505) 7.556 38.908 ( 2.741 0.000 0.235) 2.752 39.214 ( 0.397 0.000 22.843) 22.847 40.295 ( 3.659 0.000 -31.513) 31.725 ======================= Grid point 136 (71/111) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 2.144 0.000 11.201) 11.404 1.384 ( 9.407 0.000 14.762) 17.505 1.638 ( 5.864 0.000 -8.194) 10.076 1.763 ( 4.882 0.000 -12.689) 13.596 2.228 ( -0.894 0.000 9.687) 9.728 2.497 ( 0.575 0.000 -3.095) 3.148 2.754 ( -2.628 0.000 2.527) 3.646 2.803 ( -0.270 0.000 -3.385) 3.396 3.134 ( -4.754 0.000 24.902) 25.352 3.416 ( -0.813 0.000 12.187) 12.215 3.584 ( 1.201 0.000 15.800) 15.846 3.779 ( 2.578 0.000 -2.623) 3.678 3.851 ( 3.414 0.000 2.662) 4.329 3.899 ( -3.859 0.000 -6.820) 7.836 4.215 ( 1.737 0.000 5.074) 5.363 4.333 ( -2.269 0.000 1.700) 2.835 4.550 ( 0.004 0.000 3.623) 3.623 4.832 ( 5.027 0.000 1.532) 5.255 5.096 ( -0.475 0.000 -2.463) 2.508 5.547 ( 2.977 0.000 -17.753) 18.001 5.935 ( 0.044 0.000 11.192) 11.193 5.943 ( -0.340 0.000 9.954) 9.959 6.274 ( -1.877 0.000 -0.031) 1.877 6.329 ( 1.625 0.000 4.867) 5.131 6.378 ( -3.163 0.000 -3.317) 4.583 6.429 ( -0.919 0.000 -1.107) 1.439 6.471 ( -4.502 0.000 -0.716) 4.559 6.614 ( 3.355 0.000 -4.072) 5.276 6.990 ( -5.984 0.000 2.824) 6.617 7.136 ( -2.631 0.000 -0.308) 2.648 7.160 ( -3.094 0.000 1.217) 3.325 7.263 ( 3.147 0.000 -0.693) 3.223 7.391 ( 0.105 0.000 -0.039) 0.112 7.396 ( -1.231 0.000 2.871) 3.124 7.666 ( -1.626 0.000 5.488) 5.723 7.728 ( -7.957 0.000 3.506) 8.695 7.842 ( 1.531 0.000 3.948) 4.234 7.940 ( 3.158 0.000 5.313) 6.180 8.050 ( -0.206 0.000 -2.942) 2.950 8.074 ( 1.375 0.000 1.765) 2.238 8.297 ( -1.596 0.000 3.791) 4.113 8.403 ( 0.761 0.000 1.555) 1.731 8.407 ( -0.293 0.000 4.389) 4.398 8.604 ( -1.984 0.000 1.278) 2.360 8.773 ( 2.814 0.000 -9.005) 9.434 8.790 ( 0.528 0.000 -7.250) 7.270 8.877 ( -1.269 0.000 0.206) 1.285 9.009 ( 1.798 0.000 -4.607) 4.946 9.825 ( -4.737 0.000 4.668) 6.651 9.897 ( -2.224 0.000 -1.918) 2.937 9.990 ( -2.787 0.000 5.076) 5.791 10.208 ( 1.764 0.000 0.958) 2.008 10.301 ( -11.808 0.000 2.205) 12.013 10.544 ( 6.563 0.000 13.418) 14.937 10.654 ( -2.463 0.000 1.303) 2.786 10.668 ( 4.653 0.000 5.688) 7.349 11.321 ( -1.577 0.000 12.033) 12.136 11.482 ( -9.725 0.000 11.327) 14.929 11.511 ( -5.560 0.000 -5.003) 7.480 11.687 ( -10.232 0.000 0.027) 10.232 12.128 ( -1.805 0.000 2.755) 3.294 12.376 ( -4.152 0.000 0.651) 4.202 12.388 ( 1.527 0.000 4.683) 4.925 12.978 ( 15.752 0.000 -24.231) 28.901 16.730 ( -2.941 0.000 10.466) 10.871 16.983 ( -1.797 0.000 1.708) 2.479 17.045 ( 1.755 0.000 1.220) 2.138 17.214 ( 3.375 0.000 -12.584) 13.029 17.508 ( 0.362 0.000 3.507) 3.526 17.664 ( -1.410 0.000 -0.740) 1.592 17.801 ( 1.448 0.000 -2.418) 2.818 17.927 ( -1.215 0.000 -1.070) 1.619 19.236 ( -4.432 0.000 -2.654) 5.166 19.251 ( -2.702 0.000 1.634) 3.158 19.396 ( 5.111 0.000 2.983) 5.918 19.593 ( 4.863 0.000 -6.695) 8.275 23.941 ( -1.173 0.000 1.619) 1.999 24.015 ( 0.176 0.000 -3.448) 3.452 24.499 ( 0.369 0.000 2.768) 2.792 24.656 ( 6.989 0.000 -5.268) 8.752 26.065 ( -2.425 0.000 -2.138) 3.233 26.162 ( 5.890 0.000 2.525) 6.408 26.910 ( -3.838 0.000 2.877) 4.796 27.294 ( 10.075 0.000 -8.258) 13.027 28.320 ( -0.405 0.000 -0.666) 0.779 28.400 ( 0.137 0.000 -4.404) 4.406 28.434 ( -0.368 0.000 -1.526) 1.570 28.485 ( 0.428 0.000 -3.547) 3.572 35.636 ( -4.104 0.000 13.651) 14.255 35.926 ( -0.084 0.000 1.015) 1.018 36.496 ( -4.593 0.000 22.664) 23.125 36.908 ( -18.432 0.000 -6.884) 19.676 38.757 ( -4.827 0.000 3.321) 5.859 38.942 ( 0.295 0.000 0.581) 0.652 39.293 ( -4.276 0.000 21.560) 21.980 40.168 ( 0.265 0.000 -30.747) 30.748 ======================= Grid point 137 (72/111) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 1.562 0.000 8.526) 8.667 1.602 ( 8.613 0.000 1.487) 8.740 1.797 ( 11.993 0.000 -2.607) 12.274 1.842 ( 9.094 0.000 -10.813) 14.128 2.238 ( -3.230 0.000 10.208) 10.706 2.507 ( 1.992 0.000 -2.393) 3.113 2.720 ( -2.237 0.000 2.925) 3.682 2.764 ( -1.840 0.000 -3.475) 3.932 3.167 ( -5.311 0.000 24.778) 25.341 3.486 ( 1.560 0.000 11.444) 11.550 3.634 ( -4.441 0.000 14.189) 14.868 3.814 ( -0.870 0.000 -6.779) 6.835 3.824 ( 3.706 0.000 -3.790) 5.300 3.925 ( 3.679 0.000 -1.194) 3.868 4.186 ( -5.700 0.000 0.165) 5.702 4.195 ( -6.931 0.000 -8.765) 11.174 4.669 ( 4.212 0.000 15.703) 16.258 4.967 ( 10.515 0.000 -7.440) 12.881 5.155 ( 2.432 0.000 14.262) 14.468 5.571 ( 8.313 0.000 -16.308) 18.304 6.002 ( 0.647 0.000 11.037) 11.056 6.004 ( 1.279 0.000 10.585) 10.662 6.226 ( -1.336 0.000 -4.838) 5.019 6.307 ( -1.621 0.000 -3.529) 3.883 6.314 ( -6.972 0.000 8.261) 10.810 6.407 ( -1.626 0.000 2.653) 3.111 6.476 ( 4.685 0.000 1.794) 5.017 6.653 ( 1.336 0.000 -1.710) 2.170 6.890 ( -4.711 0.000 0.410) 4.729 7.091 ( -1.274 0.000 -2.655) 2.945 7.123 ( -1.208 0.000 1.841) 2.202 7.308 ( 1.722 0.000 0.113) 1.726 7.362 ( -4.371 0.000 6.059) 7.471 7.397 ( 0.237 0.000 0.579) 0.626 7.569 ( -9.033 0.000 0.842) 9.072 7.665 ( -0.464 0.000 2.322) 2.367 7.854 ( -0.760 0.000 -1.554) 1.730 7.999 ( 1.460 0.000 -0.797) 1.663 8.054 ( 0.556 0.000 4.620) 4.653 8.124 ( 1.132 0.000 5.975) 6.081 8.282 ( -1.866 0.000 3.933) 4.353 8.418 ( -1.278 0.000 5.054) 5.213 8.423 ( -0.460 0.000 3.571) 3.601 8.568 ( -1.565 0.000 0.439) 1.626 8.762 ( 0.902 0.000 -7.304) 7.359 8.778 ( 2.422 0.000 -9.606) 9.907 8.832 ( -3.356 0.000 0.382) 3.378 9.017 ( 1.521 0.000 -5.473) 5.680 9.735 ( -7.368 0.000 8.325) 11.118 9.846 ( -1.875 0.000 -1.423) 2.354 9.987 ( -0.630 0.000 5.776) 5.810 10.154 ( -4.921 0.000 4.359) 6.573 10.237 ( 0.472 0.000 0.339) 0.581 10.644 ( 0.225 0.000 3.041) 3.049 10.731 ( 5.011 0.000 14.566) 15.404 10.799 ( 5.930 0.000 5.778) 8.280 11.293 ( -14.220 0.000 7.397) 16.029 11.313 ( -4.812 0.000 8.976) 10.184 11.356 ( -7.034 0.000 -5.337) 8.830 11.546 ( -5.725 0.000 2.891) 6.414 12.130 ( -0.108 0.000 3.371) 3.373 12.326 ( -2.098 0.000 3.884) 4.414 12.432 ( 0.841 0.000 3.300) 3.405 13.051 ( 5.518 0.000 -24.065) 24.690 16.726 ( -2.575 0.000 9.108) 9.465 16.967 ( -0.723 0.000 2.265) 2.377 17.078 ( 0.970 0.000 0.660) 1.173 17.204 ( 2.230 0.000 -12.539) 12.735 17.528 ( -0.208 0.000 3.955) 3.961 17.653 ( -0.610 0.000 3.642) 3.693 17.829 ( 3.866 0.000 -7.194) 8.167 17.904 ( -0.618 0.000 -0.719) 0.948 19.153 ( -2.810 0.000 -1.613) 3.240 19.203 ( -2.920 0.000 1.398) 3.238 19.504 ( 4.261 0.000 2.623) 5.004 19.657 ( 4.895 0.000 -5.998) 7.742 23.910 ( -2.700 0.000 1.726) 3.205 23.998 ( 0.215 0.000 -4.435) 4.441 24.511 ( -0.689 0.000 2.885) 2.966 24.779 ( 9.378 0.000 -10.615) 14.164 26.031 ( -0.150 0.000 -1.219) 1.229 26.287 ( 5.227 0.000 1.137) 5.349 26.874 ( -1.397 0.000 4.836) 5.034 27.433 ( 8.758 0.000 -9.585) 12.983 28.308 ( -0.379 0.000 -0.469) 0.603 28.377 ( -0.200 0.000 -4.084) 4.089 28.418 ( -0.415 0.000 -1.893) 1.938 28.468 ( -0.274 0.000 -3.631) 3.641 35.625 ( -4.067 0.000 13.514) 14.113 35.928 ( -0.271 0.000 0.971) 1.008 36.502 ( -6.505 0.000 21.978) 22.920 36.547 ( -17.717 0.000 7.020) 19.057 38.702 ( -2.196 0.000 0.516) 2.256 38.920 ( -2.358 0.000 -1.099) 2.602 39.276 ( -8.312 0.000 21.593) 23.137 40.021 ( 0.525 0.000 -27.719) 27.724 ======================= Grid point 138 (73/111) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.599 0.000 6.797) 6.824 1.752 ( 8.369 0.000 -6.723) 10.735 1.974 ( 8.614 0.000 -7.972) 11.737 1.983 ( 7.182 0.000 -2.360) 7.560 2.221 ( -3.780 0.000 11.150) 11.773 2.552 ( 4.096 0.000 -3.001) 5.078 2.701 ( -1.490 0.000 3.769) 4.053 2.704 ( -2.794 0.000 -1.993) 3.432 3.177 ( -6.865 0.000 26.269) 27.151 3.562 ( -8.607 0.000 10.362) 13.470 3.574 ( 0.641 0.000 12.054) 12.071 3.800 ( 2.194 0.000 -5.158) 5.605 3.873 ( 3.173 0.000 -4.601) 5.589 3.966 ( 1.952 0.000 -9.425) 9.625 4.039 ( -4.155 0.000 -7.876) 8.905 4.041 ( -7.983 0.000 3.176) 8.592 4.817 ( 1.776 0.000 17.584) 17.674 5.160 ( 13.795 0.000 -9.760) 16.899 5.277 ( 0.469 0.000 18.553) 18.559 5.687 ( 11.335 0.000 -14.724) 18.581 6.041 ( -2.436 0.000 8.893) 9.220 6.075 ( -0.287 0.000 5.290) 5.298 6.154 ( -4.336 0.000 5.412) 6.935 6.274 ( 0.709 0.000 3.499) 3.570 6.315 ( 3.927 0.000 -0.019) 3.927 6.387 ( -2.696 0.000 4.044) 4.860 6.594 ( 6.288 0.000 1.422) 6.446 6.630 ( -2.794 0.000 0.845) 2.919 6.838 ( -0.401 0.000 -1.622) 1.671 7.058 ( -0.153 0.000 -4.985) 4.988 7.102 ( -2.552 0.000 -0.559) 2.613 7.306 ( -4.866 0.000 8.700) 9.968 7.316 ( -1.919 0.000 -3.406) 3.909 7.408 ( -4.247 0.000 3.425) 5.456 7.444 ( 1.830 0.000 4.027) 4.423 7.661 ( -0.635 0.000 -1.367) 1.507 7.810 ( -1.832 0.000 -4.844) 5.178 8.019 ( 1.583 0.000 -0.370) 1.626 8.094 ( -0.277 0.000 7.993) 7.998 8.153 ( -2.027 0.000 7.928) 8.183 8.274 ( -0.755 0.000 3.561) 3.641 8.402 ( -3.011 0.000 4.668) 5.555 8.419 ( -1.698 0.000 3.918) 4.270 8.550 ( -0.282 0.000 -1.867) 1.888 8.739 ( -3.035 0.000 -2.157) 3.724 8.758 ( 2.167 0.000 -6.198) 6.566 8.800 ( 1.963 0.000 -6.220) 6.522 9.008 ( 0.297 0.000 -4.943) 4.952 9.649 ( -6.432 0.000 11.714) 13.364 9.821 ( 0.146 0.000 -1.235) 1.244 10.000 ( -0.851 0.000 3.200) 3.311 10.154 ( 1.327 0.000 7.920) 8.030 10.220 ( -1.929 0.000 -1.489) 2.437 10.692 ( 2.446 0.000 5.179) 5.727 10.862 ( -1.053 0.000 16.056) 16.091 10.945 ( 5.041 0.000 4.999) 7.099 11.058 ( -9.189 0.000 -0.590) 9.208 11.207 ( -5.214 0.000 -3.333) 6.188 11.243 ( -5.819 0.000 5.883) 8.275 11.461 ( -5.650 0.000 3.483) 6.637 12.149 ( 0.099 0.000 4.736) 4.737 12.325 ( -1.469 0.000 7.593) 7.734 12.452 ( 0.269 0.000 0.346) 0.438 12.996 ( 1.968 0.000 -20.890) 20.982 16.722 ( -2.335 0.000 7.900) 8.238 16.979 ( 0.387 0.000 3.359) 3.381 17.089 ( 0.015 0.000 0.433) 0.434 17.172 ( 1.077 0.000 -12.423) 12.470 17.543 ( -0.570 0.000 4.907) 4.940 17.666 ( -0.974 0.000 6.431) 6.504 17.873 ( 5.350 0.000 -11.043) 12.271 17.900 ( 0.840 0.000 -1.555) 1.768 19.112 ( -0.861 0.000 -0.619) 1.060 19.156 ( -2.426 0.000 0.923) 2.595 19.580 ( 2.279 0.000 2.434) 3.334 19.716 ( 4.179 0.000 -5.394) 6.823 23.863 ( -2.974 0.000 1.820) 3.486 23.982 ( 0.817 0.000 -5.186) 5.250 24.498 ( -2.526 0.000 4.145) 4.854 24.885 ( 8.037 0.000 -15.483) 17.445 26.045 ( 1.824 0.000 -0.023) 1.824 26.345 ( 0.852 0.000 -2.477) 2.619 26.921 ( 2.555 0.000 8.979) 9.336 27.525 ( 5.592 0.000 -9.405) 10.942 28.302 ( -0.006 0.000 -0.433) 0.433 28.355 ( -0.036 0.000 -3.537) 3.537 28.401 ( -0.159 0.000 -2.396) 2.402 28.443 ( -0.184 0.000 -3.986) 3.990 35.617 ( -3.893 0.000 13.495) 14.046 35.924 ( -0.440 0.000 0.391) 0.588 36.328 ( -10.663 0.000 15.907) 19.150 36.470 ( -7.461 0.000 18.925) 20.342 38.668 ( -1.129 0.000 -1.822) 2.143 38.850 ( -3.211 0.000 -3.801) 4.976 39.211 ( -9.240 0.000 21.411) 23.320 39.927 ( 3.584 0.000 -23.905) 24.172 ======================= Grid point 139 (74/111) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -2.815 0.000 6.912) 7.464 1.839 ( 4.310 0.000 -9.641) 10.560 2.035 ( 0.166 0.000 -3.518) 3.522 2.061 ( 2.824 0.000 -2.862) 4.021 2.216 ( -2.169 0.000 8.873) 9.135 2.604 ( 2.142 0.000 -8.420) 8.688 2.666 ( 0.307 0.000 4.315) 4.326 2.702 ( -0.473 0.000 4.486) 4.511 3.178 ( -7.275 0.000 28.109) 29.035 3.429 ( -10.627 0.000 13.262) 16.994 3.620 ( -1.483 0.000 8.380) 8.511 3.780 ( -6.668 0.000 0.816) 6.718 3.888 ( 0.982 0.000 -5.763) 5.846 3.889 ( 2.554 0.000 -9.702) 10.032 3.975 ( 0.975 0.000 -5.085) 5.178 4.000 ( -0.397 0.000 -1.622) 1.670 4.897 ( -2.731 0.000 16.575) 16.798 5.323 ( -4.066 0.000 16.797) 17.282 5.388 ( 13.448 0.000 -11.233) 17.522 5.827 ( 9.228 0.000 -11.750) 14.941 6.014 ( -3.831 0.000 6.512) 7.556 6.017 ( -4.617 0.000 3.511) 5.800 6.173 ( 1.265 0.000 4.629) 4.798 6.325 ( -5.390 0.000 3.968) 6.693 6.365 ( 5.519 0.000 5.777) 7.989 6.432 ( 6.478 0.000 0.489) 6.497 6.608 ( -0.292 0.000 5.285) 5.293 6.730 ( 7.502 0.000 -0.840) 7.549 6.837 ( 0.570 0.000 -0.944) 1.102 7.008 ( -5.722 0.000 -3.073) 6.495 7.038 ( 1.384 0.000 -6.539) 6.684 7.201 ( -4.934 0.000 -8.032) 9.426 7.274 ( -3.400 0.000 10.428) 10.969 7.360 ( -2.732 0.000 5.828) 6.436 7.595 ( 7.725 0.000 6.577) 10.145 7.615 ( -2.655 0.000 -4.014) 4.813 7.751 ( -1.206 0.000 -3.807) 3.993 8.044 ( -0.861 0.000 2.207) 2.369 8.121 ( -0.063 0.000 5.996) 5.997 8.133 ( -4.018 0.000 7.571) 8.571 8.280 ( -0.860 0.000 3.278) 3.389 8.352 ( -4.341 0.000 4.637) 6.352 8.406 ( -1.339 0.000 3.477) 3.726 8.534 ( -0.075 0.000 -2.193) 2.194 8.687 ( -1.054 0.000 -1.234) 1.623 8.774 ( 2.252 0.000 -5.304) 5.763 8.819 ( 3.222 0.000 -6.740) 7.470 8.986 ( -0.093 0.000 -3.517) 3.518 9.614 ( -3.863 0.000 13.548) 14.088 9.838 ( 2.132 0.000 -1.205) 2.449 9.997 ( -0.325 0.000 1.521) 1.555 10.155 ( -3.313 0.000 -2.951) 4.436 10.264 ( 4.720 0.000 11.583) 12.508 10.745 ( -11.789 0.000 4.145) 12.496 10.784 ( 3.852 0.000 6.743) 7.766 10.970 ( -5.268 0.000 5.171) 7.382 11.037 ( 2.355 0.000 0.944) 2.537 11.163 ( -5.191 0.000 5.026) 7.225 11.224 ( 7.856 0.000 1.538) 8.005 11.349 ( -7.198 0.000 1.627) 7.379 12.183 ( 0.317 0.000 6.533) 6.541 12.335 ( -1.881 0.000 9.089) 9.282 12.435 ( -1.909 0.000 -2.059) 2.808 12.960 ( 5.349 0.000 -18.785) 19.532 16.716 ( -2.335 0.000 7.712) 8.058 17.009 ( 0.625 0.000 3.793) 3.844 17.084 ( -1.106 0.000 0.860) 1.401 17.126 ( 1.119 0.000 -12.207) 12.258 17.551 ( -1.478 0.000 5.533) 5.727 17.675 ( -1.719 0.000 7.440) 7.636 17.914 ( 4.836 0.000 -12.881) 13.759 17.919 ( 2.252 0.000 -2.791) 3.586 19.111 ( 0.908 0.000 -0.229) 0.936 19.122 ( -1.401 0.000 0.392) 1.455 19.616 ( 0.227 0.000 2.158) 2.170 19.762 ( 3.312 0.000 -5.288) 6.240 23.821 ( -2.299 0.000 2.090) 3.107 23.978 ( 1.584 0.000 -5.722) 5.937 24.460 ( -3.972 0.000 6.404) 7.535 24.918 ( 3.793 0.000 -17.237) 17.649 26.097 ( 3.208 0.000 0.966) 3.350 26.306 ( -2.549 0.000 -4.512) 5.183 27.038 ( 3.405 0.000 11.203) 11.709 27.548 ( 1.846 0.000 -10.016) 10.185 28.304 ( 0.448 0.000 -0.583) 0.735 28.347 ( 1.047 0.000 -2.902) 3.085 28.389 ( 0.351 0.000 -2.843) 2.865 28.423 ( 0.480 0.000 -4.552) 4.578 35.613 ( -3.608 0.000 13.586) 14.057 35.915 ( -0.591 0.000 -0.045) 0.593 36.302 ( -1.621 0.000 19.977) 20.043 36.415 ( -7.029 0.000 15.042) 16.603 38.638 ( -0.890 0.000 -2.407) 2.567 38.775 ( -1.837 0.000 -5.164) 5.481 39.154 ( -7.425 0.000 20.363) 21.675 39.920 ( 7.710 0.000 -21.785) 23.109 ======================= Grid point 140 (75/111) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -4.394 0.000 7.878) 9.021 1.794 ( -5.944 0.000 -3.944) 7.134 1.985 ( -1.575 0.000 -7.351) 7.518 2.064 ( -1.708 0.000 1.837) 2.508 2.204 ( -3.249 0.000 5.671) 6.536 2.580 ( 0.239 0.000 -5.059) 5.064 2.722 ( 2.550 0.000 0.783) 2.667 2.729 ( 0.727 0.000 4.833) 4.887 3.179 ( -8.014 0.000 29.707) 30.769 3.301 ( -10.359 0.000 16.880) 19.805 3.621 ( -1.888 0.000 6.320) 6.596 3.638 ( -6.890 0.000 2.900) 7.475 3.853 ( -1.107 0.000 -7.013) 7.100 3.932 ( 2.316 0.000 -1.379) 2.695 3.975 ( 1.301 0.000 -8.061) 8.165 4.003 ( 2.960 0.000 -1.272) 3.222 4.883 ( -6.060 0.000 13.055) 14.393 5.267 ( -9.642 0.000 15.302) 18.087 5.558 ( 10.058 0.000 -15.550) 18.519 5.909 ( 4.057 0.000 -6.188) 7.399 5.962 ( -3.820 0.000 6.827) 7.823 5.971 ( -3.955 0.000 6.561) 7.661 6.231 ( 3.498 0.000 -3.250) 4.774 6.253 ( -1.890 0.000 -0.273) 1.910 6.515 ( 6.736 0.000 5.358) 8.607 6.516 ( -0.073 0.000 5.478) 5.478 6.669 ( 3.881 0.000 -0.982) 4.003 6.856 ( 4.764 0.000 -6.997) 8.465 6.865 ( 2.578 0.000 5.601) 6.166 6.878 ( -4.116 0.000 0.962) 4.227 7.053 ( 3.566 0.000 -6.352) 7.284 7.069 ( -3.933 0.000 -9.679) 10.448 7.279 ( -2.026 0.000 11.965) 12.135 7.364 ( -0.293 0.000 7.947) 7.952 7.536 ( -2.991 0.000 -3.480) 4.588 7.674 ( 1.283 0.000 -7.384) 7.495 7.825 ( 6.129 0.000 9.809) 11.566 7.970 ( -5.570 0.000 -4.585) 7.214 8.069 ( -6.309 0.000 5.396) 8.302 8.166 ( 0.002 0.000 9.750) 9.750 8.270 ( -1.335 0.000 2.998) 3.282 8.308 ( -2.961 0.000 7.666) 8.218 8.398 ( -0.361 0.000 -1.369) 1.416 8.539 ( 0.329 0.000 3.279) 3.296 8.684 ( 1.883 0.000 -3.838) 4.275 8.784 ( 1.400 0.000 -5.197) 5.382 8.850 ( 3.180 0.000 -6.090) 6.870 8.973 ( 0.349 0.000 -2.443) 2.468 9.635 ( -1.107 0.000 12.884) 12.931 9.882 ( 2.939 0.000 -1.868) 3.483 10.009 ( 0.689 0.000 2.264) 2.366 10.082 ( -2.275 0.000 -2.750) 3.570 10.457 ( 8.697 0.000 14.683) 17.065 10.555 ( -8.565 0.000 -0.680) 8.592 10.847 ( -7.803 0.000 2.144) 8.092 10.902 ( 4.620 0.000 7.330) 8.665 11.091 ( -5.716 0.000 6.514) 8.666 11.116 ( 3.375 0.000 5.418) 6.384 11.218 ( -5.783 0.000 -1.260) 5.919 11.411 ( 9.615 0.000 0.853) 9.652 12.210 ( -2.231 0.000 9.378) 9.640 12.365 ( 1.194 0.000 7.554) 7.648 12.366 ( -3.400 0.000 -2.786) 4.396 12.996 ( 7.518 0.000 -20.256) 21.606 16.712 ( -2.383 0.000 8.460) 8.789 17.035 ( 0.081 0.000 3.557) 3.557 17.042 ( -2.199 0.000 -2.545) 3.363 17.112 ( 2.344 0.000 -8.096) 8.428 17.539 ( -2.727 0.000 5.618) 6.245 17.681 ( -1.484 0.000 7.628) 7.771 17.920 ( 2.539 0.000 -13.150) 13.392 17.953 ( 2.802 0.000 -3.902) 4.804 19.108 ( -0.173 0.000 -0.166) 0.240 19.143 ( 2.529 0.000 -0.414) 2.563 19.612 ( -1.751 0.000 1.883) 2.571 19.787 ( 2.051 0.000 -5.858) 6.206 23.800 ( -1.015 0.000 2.505) 2.702 23.984 ( 1.955 0.000 -5.644) 5.973 24.420 ( -3.840 0.000 8.395) 9.231 24.861 ( -0.831 0.000 -14.912) 14.935 26.170 ( 3.370 0.000 1.681) 3.766 26.218 ( -3.873 0.000 -4.627) 6.034 27.139 ( 0.774 0.000 11.119) 11.146 27.492 ( -1.798 0.000 -12.440) 12.570 28.312 ( 0.693 0.000 -1.023) 1.235 28.367 ( 2.452 0.000 -2.587) 3.564 28.388 ( 1.135 0.000 -2.776) 2.999 28.415 ( 1.125 0.000 -5.024) 5.148 35.616 ( -3.281 0.000 13.792) 14.177 35.906 ( -0.301 0.000 0.100) 0.317 36.362 ( -5.408 0.000 12.168) 13.316 36.461 ( 7.621 0.000 19.294) 20.745 38.615 ( -0.473 0.000 -0.571) 0.741 38.735 ( 0.371 0.000 -4.840) 4.854 39.137 ( -4.532 0.000 18.292) 18.845 39.998 ( 11.630 0.000 -22.129) 24.999 ======================= Grid point 141 (76/111) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -6.215 0.000 9.388) 11.259 1.586 ( -15.083 0.000 5.778) 16.152 1.915 ( -0.976 0.000 -11.184) 11.227 2.028 ( -2.174 0.000 -0.200) 2.184 2.154 ( -5.105 0.000 8.021) 9.508 2.564 ( 0.375 0.000 -4.085) 4.102 2.760 ( 1.444 0.000 -0.694) 1.602 2.771 ( 0.959 0.000 4.459) 4.561 3.168 ( -8.924 0.000 30.687) 31.958 3.213 ( -7.806 0.000 18.774) 20.332 3.574 ( -2.363 0.000 7.589) 7.948 3.604 ( -4.322 0.000 7.868) 8.977 3.791 ( -0.575 0.000 -8.222) 8.242 3.898 ( -1.991 0.000 -5.017) 5.397 4.023 ( 4.660 0.000 -3.345) 5.737 4.058 ( 1.943 0.000 3.037) 3.606 4.820 ( -5.263 0.000 7.298) 8.998 5.125 ( -12.024 0.000 13.020) 17.723 5.598 ( 3.339 0.000 -19.344) 19.630 5.899 ( -3.894 0.000 7.867) 8.778 5.926 ( -4.489 0.000 8.141) 9.297 5.974 ( 2.467 0.000 -2.793) 3.726 6.225 ( -1.722 0.000 -7.518) 7.713 6.275 ( 4.533 0.000 -2.297) 5.082 6.491 ( -4.146 0.000 2.898) 5.058 6.666 ( 5.770 0.000 3.584) 6.792 6.705 ( 2.061 0.000 -4.767) 5.193 6.760 ( -3.254 0.000 -5.851) 6.695 6.910 ( -1.303 0.000 -3.523) 3.756 7.011 ( 4.396 0.000 -6.232) 7.627 7.012 ( 6.996 0.000 10.247) 12.408 7.102 ( 4.078 0.000 -4.868) 6.350 7.311 ( -1.402 0.000 13.368) 13.442 7.423 ( 1.574 0.000 8.826) 8.965 7.478 ( -1.735 0.000 -0.823) 1.921 7.667 ( 1.734 0.000 -6.791) 7.009 7.820 ( -5.631 0.000 -8.270) 10.005 7.934 ( -3.875 0.000 2.765) 4.761 7.988 ( 0.424 0.000 7.792) 7.804 8.205 ( -1.602 0.000 10.726) 10.845 8.269 ( -1.816 0.000 6.895) 7.130 8.320 ( 0.345 0.000 7.604) 7.612 8.381 ( 0.501 0.000 -4.562) 4.590 8.561 ( -0.858 0.000 5.460) 5.527 8.713 ( 3.501 0.000 -6.143) 7.070 8.778 ( 0.877 0.000 -5.268) 5.340 8.874 ( 2.317 0.000 -5.576) 6.038 8.974 ( 0.907 0.000 -2.153) 2.336 9.693 ( 1.190 0.000 9.141) 9.218 9.921 ( 2.387 0.000 -3.693) 4.398 10.046 ( 1.207 0.000 4.392) 4.554 10.058 ( 0.834 0.000 -0.442) 0.943 10.405 ( -6.287 0.000 -2.457) 6.751 10.709 ( -7.680 0.000 3.147) 8.299 10.738 ( 10.917 0.000 14.699) 18.310 10.979 ( -5.402 0.000 2.409) 5.915 11.069 ( 6.609 0.000 12.099) 13.787 11.138 ( -1.931 0.000 -0.979) 2.165 11.221 ( 4.602 0.000 6.055) 7.605 11.574 ( 6.740 0.000 -0.827) 6.790 12.202 ( -3.371 0.000 11.220) 11.716 12.293 ( -2.580 0.000 -2.276) 3.441 12.451 ( 3.516 0.000 5.608) 6.620 12.995 ( 2.983 0.000 -24.230) 24.413 16.711 ( -2.452 0.000 9.672) 9.978 16.993 ( -1.620 0.000 -1.700) 2.349 17.048 ( -0.585 0.000 3.347) 3.398 17.120 ( 2.801 0.000 -8.642) 9.085 17.509 ( -3.032 0.000 5.114) 5.945 17.703 ( -0.089 0.000 7.687) 7.688 17.880 ( 0.312 0.000 -12.520) 12.524 17.982 ( 2.338 0.000 -4.588) 5.149 19.111 ( 0.670 0.000 -0.619) 0.912 19.201 ( 3.695 0.000 -0.961) 3.818 19.568 ( -3.689 0.000 1.866) 4.134 19.776 ( 0.030 0.000 -6.799) 6.799 23.808 ( 0.480 0.000 2.751) 2.792 23.994 ( 1.768 0.000 -4.430) 4.770 24.403 ( -2.326 0.000 8.526) 8.837 24.752 ( -3.490 0.000 -9.971) 10.564 26.121 ( -3.796 0.000 -3.589) 5.224 26.234 ( 2.093 0.000 2.164) 3.010 27.173 ( -2.763 0.000 9.646) 10.034 27.359 ( -4.594 0.000 -14.282) 15.003 28.319 ( 0.744 0.000 -1.576) 1.742 28.405 ( 1.729 0.000 -2.103) 2.722 28.407 ( 2.670 0.000 -2.596) 3.724 28.415 ( 1.902 0.000 -5.588) 5.903 35.626 ( -3.095 0.000 14.060) 14.396 35.904 ( 0.075 0.000 0.207) 0.221 36.336 ( -3.359 0.000 11.498) 11.979 36.774 ( 15.818 0.000 12.117) 19.925 38.627 ( 1.284 0.000 3.828) 4.038 38.740 ( 2.294 0.000 -3.759) 4.404 39.156 ( -2.917 0.000 15.645) 15.915 40.130 ( 13.854 0.000 -24.327) 27.996 ======================= Grid point 142 (77/111) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -16.831 0.000 13.650) 21.670 1.320 ( -7.362 0.000 11.689) 13.814 1.831 ( -1.762 0.000 -11.432) 11.567 1.970 ( -2.524 0.000 -6.563) 7.032 2.114 ( -3.683 0.000 11.865) 12.424 2.550 ( 0.033 0.000 -3.103) 3.103 2.776 ( 0.996 0.000 -1.812) 2.068 2.805 ( 0.045 0.000 4.495) 4.495 3.153 ( -8.723 0.000 30.214) 31.448 3.204 ( -2.697 0.000 18.618) 18.812 3.525 ( -7.667 0.000 9.287) 12.043 3.611 ( 0.334 0.000 12.236) 12.240 3.762 ( 1.226 0.000 -6.873) 6.982 3.852 ( 1.182 0.000 -5.988) 6.104 4.084 ( 2.318 0.000 -1.099) 2.565 4.106 ( 0.379 0.000 7.844) 7.853 4.766 ( -2.501 0.000 0.653) 2.584 4.956 ( -11.320 0.000 10.930) 15.736 5.508 ( -1.353 0.000 -21.528) 21.570 5.877 ( -3.678 0.000 12.175) 12.718 5.891 ( -3.849 0.000 10.004) 10.719 5.964 ( -0.400 0.000 -14.908) 14.913 6.139 ( -2.723 0.000 0.338) 2.744 6.368 ( 5.593 0.000 -4.464) 7.156 6.427 ( -2.105 0.000 0.757) 2.237 6.629 ( -5.026 0.000 -7.307) 8.869 6.706 ( 0.314 0.000 -5.024) 5.034 6.743 ( -2.059 0.000 1.346) 2.460 6.930 ( 6.752 0.000 -3.150) 7.451 7.088 ( 4.849 0.000 -3.035) 5.720 7.140 ( 2.199 0.000 -2.473) 3.309 7.174 ( 2.884 0.000 7.274) 7.825 7.360 ( -1.056 0.000 11.799) 11.847 7.475 ( 2.542 0.000 2.264) 3.405 7.502 ( 2.002 0.000 7.478) 7.742 7.648 ( -1.243 0.000 -4.022) 4.210 7.706 ( -1.903 0.000 -5.558) 5.875 7.862 ( -2.749 0.000 4.770) 5.506 8.048 ( 1.122 0.000 2.725) 2.947 8.203 ( -3.422 0.000 6.921) 7.721 8.274 ( -1.663 0.000 9.346) 9.492 8.372 ( 0.674 0.000 5.539) 5.580 8.386 ( 1.926 0.000 -2.518) 3.170 8.555 ( -1.893 0.000 3.953) 4.383 8.748 ( 3.352 0.000 -6.692) 7.485 8.771 ( 1.343 0.000 -4.986) 5.164 8.883 ( 1.586 0.000 -5.109) 5.349 8.985 ( 1.374 0.000 -2.397) 2.763 9.766 ( 2.444 0.000 4.956) 5.526 9.942 ( 2.117 0.000 -4.418) 4.899 10.087 ( -0.054 0.000 5.605) 5.606 10.103 ( 3.256 0.000 1.412) 3.549 10.288 ( -4.584 0.000 -2.033) 5.014 10.593 ( -6.144 0.000 4.817) 7.807 10.845 ( -6.605 0.000 4.868) 8.205 10.923 ( 0.109 0.000 1.939) 1.942 11.126 ( 0.084 0.000 4.865) 4.866 11.349 ( 5.130 0.000 6.500) 8.280 11.441 ( 24.689 0.000 10.987) 27.023 11.654 ( 2.449 0.000 -2.197) 3.290 12.207 ( -2.567 0.000 12.801) 13.056 12.247 ( -1.292 0.000 -1.558) 2.024 12.528 ( 1.797 0.000 2.448) 3.037 12.837 ( -6.404 0.000 -25.386) 26.181 16.715 ( -2.490 0.000 10.737) 11.022 16.968 ( -0.502 0.000 0.006) 0.502 17.048 ( -1.121 0.000 3.442) 3.620 17.135 ( 3.836 0.000 -10.237) 10.932 17.480 ( -2.225 0.000 4.182) 4.738 17.754 ( 1.124 0.000 7.082) 7.171 17.815 ( -0.467 0.000 -11.342) 11.351 17.993 ( 1.243 0.000 -4.657) 4.820 19.126 ( 1.240 0.000 -0.436) 1.314 19.270 ( 4.041 0.000 -1.663) 4.369 19.492 ( -5.132 0.000 2.345) 5.642 19.717 ( -2.348 0.000 -7.579) 7.934 23.843 ( 1.690 0.000 2.535) 3.047 24.006 ( 1.375 0.000 -2.723) 3.051 24.414 ( -0.660 0.000 6.835) 6.867 24.644 ( -3.423 0.000 -4.953) 6.021 26.045 ( -2.370 0.000 -1.861) 3.013 26.263 ( -0.358 0.000 1.684) 1.722 27.137 ( -5.138 0.000 7.454) 9.053 27.194 ( -4.536 0.000 -12.387) 13.192 28.325 ( 0.742 0.000 -1.657) 1.816 28.417 ( 1.493 0.000 -4.885) 5.108 28.428 ( 1.532 0.000 -1.529) 2.165 28.449 ( 2.756 0.000 -3.789) 4.685 35.638 ( -3.206 0.000 14.231) 14.587 35.909 ( 0.227 0.000 0.276) 0.357 36.350 ( -1.820 0.000 13.278) 13.402 37.139 ( 17.898 0.000 -3.758) 18.289 38.719 ( 4.978 0.000 9.461) 10.690 38.781 ( 3.531 0.000 -2.476) 4.312 39.164 ( -4.448 0.000 13.744) 14.446 40.263 ( 12.974 0.000 -27.402) 30.318 ======================= Grid point 143 (78/111) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -10.021 0.000 19.888) 22.270 1.259 ( -5.085 0.000 13.389) 14.322 1.732 ( -2.533 0.000 -10.592) 10.890 1.871 ( -2.908 0.000 -9.668) 10.096 2.131 ( -0.794 0.000 10.567) 10.597 2.533 ( -0.149 0.000 -3.178) 3.181 2.788 ( 1.461 0.000 -2.112) 2.568 2.813 ( -1.552 0.000 4.311) 4.582 3.132 ( -8.635 0.000 27.692) 29.007 3.297 ( 2.406 0.000 17.463) 17.628 3.435 ( -6.622 0.000 11.695) 13.440 3.686 ( 1.239 0.000 10.516) 10.589 3.754 ( 1.028 0.000 -5.157) 5.259 3.916 ( 6.820 0.000 0.456) 6.835 4.088 ( -1.431 0.000 -1.470) 2.051 4.163 ( 0.816 0.000 11.388) 11.417 4.717 ( -2.032 0.000 -4.478) 4.918 4.820 ( -7.511 0.000 8.975) 11.703 5.350 ( -3.512 0.000 -20.201) 20.504 5.800 ( -5.661 0.000 -13.052) 14.227 5.880 ( -2.788 0.000 10.799) 11.153 5.894 ( -0.631 0.000 3.850) 3.901 6.149 ( 0.783 0.000 6.929) 6.973 6.394 ( 1.387 0.000 -2.701) 3.037 6.455 ( 2.527 0.000 -2.515) 3.565 6.492 ( -5.212 0.000 -6.237) 8.128 6.663 ( -1.466 0.000 -6.683) 6.842 6.672 ( -4.403 0.000 -1.599) 4.684 7.065 ( 6.956 0.000 -0.820) 7.004 7.141 ( -1.415 0.000 -0.520) 1.508 7.157 ( 3.652 0.000 -1.714) 4.034 7.211 ( -1.720 0.000 6.249) 6.481 7.363 ( -0.768 0.000 2.385) 2.505 7.517 ( -3.290 0.000 -2.412) 4.079 7.603 ( 4.818 0.000 6.502) 8.092 7.646 ( 1.884 0.000 8.575) 8.779 7.702 ( 3.080 0.000 1.821) 3.578 7.862 ( -1.396 0.000 6.039) 6.199 8.062 ( 0.144 0.000 -0.567) 0.585 8.149 ( -4.140 0.000 2.277) 4.725 8.297 ( -0.894 0.000 7.797) 7.848 8.389 ( -0.930 0.000 3.363) 3.489 8.406 ( 0.186 0.000 -0.601) 0.629 8.557 ( 1.138 0.000 1.970) 2.275 8.769 ( 2.226 0.000 -6.423) 6.798 8.783 ( 2.370 0.000 -4.932) 5.472 8.886 ( 1.121 0.000 -3.944) 4.101 8.998 ( 1.181 0.000 -2.753) 2.995 9.830 ( 1.909 0.000 2.783) 3.375 9.954 ( 1.157 0.000 -3.925) 4.092 10.088 ( -2.858 0.000 5.356) 6.071 10.173 ( 2.158 0.000 -2.251) 3.119 10.236 ( 0.602 0.000 5.885) 5.916 10.537 ( -2.301 0.000 6.186) 6.600 10.724 ( -7.370 0.000 1.299) 7.483 10.859 ( -5.898 0.000 -2.284) 6.325 11.183 ( 1.102 0.000 11.026) 11.081 11.472 ( 3.441 0.000 7.714) 8.447 11.656 ( -0.546 0.000 -3.116) 3.164 12.014 ( 27.676 0.000 -1.896) 27.741 12.204 ( -3.339 0.000 -2.644) 4.260 12.215 ( -3.844 0.000 12.332) 12.917 12.532 ( -1.771 0.000 -1.028) 2.048 12.552 ( -7.492 0.000 -15.495) 17.211 16.723 ( -2.508 0.000 11.206) 11.483 16.973 ( 0.739 0.000 1.183) 1.395 17.038 ( -1.764 0.000 3.222) 3.673 17.165 ( 4.971 0.000 -11.537) 12.562 17.469 ( -0.930 0.000 3.579) 3.698 17.754 ( -0.203 0.000 -9.454) 9.456 17.800 ( -0.130 0.000 5.015) 5.017 17.983 ( 0.032 0.000 -3.968) 3.968 19.163 ( 2.821 0.000 0.804) 2.933 19.330 ( 2.806 0.000 -2.214) 3.574 19.405 ( -5.068 0.000 3.022) 5.901 19.619 ( -3.090 0.000 -7.942) 8.522 23.893 ( 2.077 0.000 1.989) 2.876 24.018 ( 0.993 0.000 -1.899) 2.143 24.442 ( 0.328 0.000 4.811) 4.822 24.580 ( -1.255 0.000 -1.974) 2.339 26.018 ( 0.238 0.000 0.039) 0.241 26.230 ( -3.434 0.000 -0.502) 3.471 27.062 ( -5.658 0.000 5.198) 7.683 27.100 ( 0.827 0.000 -7.536) 7.582 28.329 ( 0.484 0.000 -1.363) 1.446 28.420 ( 1.269 0.000 -4.836) 5.000 28.444 ( 0.797 0.000 -1.299) 1.524 28.475 ( 1.936 0.000 -3.761) 4.230 35.645 ( -3.568 0.000 14.162) 14.604 35.915 ( 0.205 0.000 0.452) 0.496 36.396 ( -1.508 0.000 16.841) 16.909 37.348 ( 8.389 0.000 -19.326) 21.068 38.845 ( 3.810 0.000 -1.081) 3.960 38.880 ( 4.464 0.000 6.798) 8.133 39.131 ( -5.659 0.000 19.002) 19.827 40.331 ( 8.915 0.000 -30.163) 31.453 ======================= Grid point 144 (79/111) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.158 6.390 18.463) 19.538 1.447 ( 1.717 14.732 8.905) 17.299 1.694 ( -1.597 3.974 -7.482) 8.621 1.799 ( -0.927 2.067 -10.107) 10.358 2.093 ( 0.211 -7.448 10.932) 13.229 2.528 ( -0.379 0.848 -3.297) 3.425 2.619 ( 0.896 -12.384 1.348) 12.490 2.816 ( -1.330 -2.794 -3.787) 4.891 3.114 ( -5.571 0.484 24.721) 25.346 3.354 ( 0.555 -6.615 17.781) 18.980 3.503 ( -1.822 7.716 8.297) 11.476 3.738 ( 0.899 -0.840 -2.047) 2.388 3.852 ( 3.462 5.222 9.823) 11.651 3.988 ( -2.618 -1.722 -1.119) 3.328 4.116 ( 6.002 3.261 5.326) 8.662 4.280 ( 2.256 1.488 10.241) 10.592 4.632 ( -3.349 0.223 -5.026) 6.044 4.755 ( -1.235 -2.000 8.181) 8.512 5.200 ( -3.493 1.808 -17.051) 17.499 5.564 ( -2.592 -6.774 -17.711) 19.138 5.865 ( -0.881 -2.095 10.784) 11.021 5.892 ( -0.465 -1.916 7.976) 8.217 6.242 ( 1.174 1.716 4.393) 4.860 6.339 ( -3.778 -1.742 -4.865) 6.402 6.445 ( 0.149 0.932 -3.882) 3.995 6.502 ( -0.831 4.293 -1.113) 4.512 6.578 ( -3.242 2.918 -0.295) 4.372 6.708 ( -1.237 7.364 -3.655) 8.314 7.055 ( -2.151 -3.026 2.664) 4.570 7.118 ( 1.134 -3.823 0.034) 3.988 7.195 ( -1.738 1.025 2.801) 3.452 7.212 ( 2.293 0.421 0.152) 2.336 7.395 ( -3.275 1.199 1.674) 3.869 7.465 ( -0.329 3.724 -0.298) 3.750 7.651 ( -0.489 -1.211 7.026) 7.146 7.721 ( 2.396 -3.130 8.781) 9.625 7.760 ( -2.509 -5.922 6.100) 8.864 7.802 ( 3.258 -3.110 4.336) 6.252 8.051 ( -0.066 -0.414 -1.981) 2.025 8.101 ( -1.816 0.378 -3.366) 3.843 8.301 ( -1.074 0.439 4.809) 4.947 8.394 ( -0.239 0.207 4.561) 4.572 8.440 ( -0.327 3.859 -0.877) 3.971 8.592 ( 1.620 -1.020 0.366) 1.949 8.751 ( 2.260 -1.325 -5.272) 5.887 8.809 ( 1.052 0.184 -7.762) 7.835 8.868 ( 0.701 -1.417 -1.511) 2.187 8.981 ( 0.505 -2.226 -4.030) 4.632 9.853 ( -1.843 -0.050 3.918) 4.330 9.971 ( -0.451 0.959 -2.119) 2.370 10.006 ( -1.961 -1.324 4.258) 4.872 10.164 ( 0.816 -1.732 -2.329) 3.015 10.386 ( 2.706 2.340 9.700) 10.339 10.533 ( -4.597 -0.646 3.849) 6.030 10.559 ( -3.971 -1.392 2.528) 4.909 10.675 ( -4.920 -4.126 1.141) 6.522 11.283 ( 1.551 1.884 13.828) 14.042 11.491 ( 2.003 -4.566 12.385) 13.351 11.666 ( -4.019 5.600 -3.061) 7.542 11.931 ( -12.871 -1.766 -4.396) 13.715 12.200 ( -5.147 2.246 5.276) 7.705 12.320 ( 0.990 -0.955 3.340) 3.612 12.485 ( -1.587 2.318 -3.466) 4.462 12.667 ( 19.058 -1.703 -15.636) 24.710 16.752 ( -2.631 2.295 10.802) 11.353 16.972 ( -2.004 -3.189 4.259) 5.686 17.048 ( 1.550 3.684 0.442) 4.022 17.227 ( 4.474 2.040 -12.763) 13.677 17.505 ( -0.067 2.095 2.509) 3.270 17.678 ( -2.308 -4.139 1.302) 4.915 17.758 ( 1.188 -1.814 -4.194) 4.721 17.927 ( -0.807 -3.175 -3.879) 5.077 19.249 ( 3.107 0.666 1.789) 3.647 19.307 ( -2.199 -1.022 1.612) 2.912 19.396 ( -1.798 4.294 -2.301) 5.193 19.553 ( 1.452 -0.591 -7.423) 7.587 23.972 ( 0.976 3.953 1.737) 4.427 24.062 ( 1.097 4.038 -2.423) 4.835 24.401 ( 0.586 -6.908 3.075) 7.584 24.498 ( 2.660 -7.682 -1.794) 8.325 26.200 ( 1.489 12.890 -0.474) 12.984 26.241 ( -2.971 9.832 -1.773) 10.423 26.927 ( -4.524 -5.340 3.124) 7.664 27.088 ( 7.134 -6.699 -5.879) 11.417 28.341 ( 0.072 1.242 -1.141) 1.689 28.417 ( 0.089 -0.140 -3.764) 3.767 28.441 ( 0.789 -0.079 -2.083) 2.229 28.484 ( 1.128 -0.345 -3.698) 3.881 35.683 ( -4.330 4.421 14.617) 15.873 35.969 ( 0.057 4.980 1.177) 5.118 36.357 ( -3.143 -9.672 18.028) 20.698 36.884 ( -5.744 -29.086 -5.331) 30.123 38.889 ( -2.821 4.880 7.890) 9.696 39.120 ( -5.385 3.652 13.735) 15.198 39.356 ( 4.213 22.726 -7.014) 24.154 40.255 ( 3.594 -4.360 -31.457) 31.961 ======================= Grid point 145 (80/111) ======================= q-point: ( 0.11 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 6.352 4.581 15.220) 17.116 1.551 ( 3.634 13.088 7.524) 15.528 1.689 ( 5.676 4.229 -6.406) 9.547 1.770 ( 4.146 0.773 -11.077) 11.852 2.145 ( -0.847 -7.089 11.017) 13.128 2.504 ( -0.265 0.411 -3.109) 3.147 2.641 ( 0.790 -10.230 0.540) 10.275 2.772 ( -1.007 -3.248 -4.043) 5.283 3.144 ( -4.639 1.233 25.004) 25.460 3.443 ( -1.384 -4.462 18.748) 19.321 3.527 ( 1.235 2.609 4.264) 5.149 3.743 ( 1.375 -2.375 -4.531) 5.297 3.931 ( -1.414 2.991 -0.323) 3.325 3.958 ( 1.944 6.698 5.700) 9.007 4.216 ( 1.161 0.499 2.908) 3.170 4.334 ( -2.252 -0.158 -0.199) 2.266 4.583 ( 0.870 3.333 5.600) 6.575 4.828 ( 4.746 -1.079 6.686) 8.270 5.094 ( -0.041 0.777 -8.145) 8.182 5.474 ( 2.767 -7.068 -17.151) 18.755 5.920 ( 0.698 -1.131 11.347) 11.424 5.935 ( 0.478 -0.953 9.451) 9.511 6.247 ( -2.638 -1.825 -6.399) 7.158 6.304 ( 2.467 -1.078 5.235) 5.887 6.383 ( -3.904 -0.506 -3.858) 5.511 6.466 ( -2.390 1.233 0.449) 2.727 6.534 ( -3.413 8.011 3.792) 9.498 6.688 ( 1.130 5.429 -3.142) 6.374 6.996 ( -4.331 0.719 1.897) 4.782 7.117 ( -1.931 -2.269 -0.247) 2.989 7.167 ( -1.132 0.212 0.974) 1.508 7.268 ( 2.453 1.583 1.593) 3.326 7.348 ( -1.714 -1.137 1.917) 2.811 7.458 ( -1.600 3.644 1.454) 4.237 7.658 ( -4.515 -3.546 4.887) 7.539 7.677 ( -3.671 -2.015 4.468) 6.123 7.811 ( 1.238 -2.617 5.904) 6.576 7.904 ( 3.456 -4.135 5.245) 7.520 8.047 ( 0.743 -1.039 -2.243) 2.581 8.062 ( 0.012 -0.945 -2.136) 2.336 8.303 ( -1.437 1.132 4.725) 5.067 8.414 ( -0.274 0.289 4.268) 4.287 8.439 ( 0.356 3.486 0.119) 3.506 8.597 ( -1.455 -0.679 1.150) 1.975 8.755 ( 1.311 -1.411 -7.280) 7.530 8.788 ( 1.236 -0.361 -7.816) 7.922 8.869 ( -0.319 -0.721 -0.356) 0.865 8.979 ( 1.696 -2.858 -5.039) 6.036 9.800 ( -5.474 -0.967 4.788) 7.337 9.930 ( -3.588 -0.732 1.025) 3.803 9.990 ( -1.409 1.880 2.902) 3.735 10.143 ( -2.400 -3.404 -0.644) 4.215 10.374 ( -5.557 4.594 3.603) 8.060 10.526 ( 3.985 -1.584 11.896) 12.646 10.616 ( -0.443 -2.456 2.273) 3.376 10.650 ( 4.113 -2.235 5.734) 7.403 11.336 ( -3.721 1.731 10.749) 11.506 11.487 ( -7.609 -1.613 4.230) 8.854 11.561 ( -6.221 6.132 3.187) 9.298 11.703 ( -8.138 1.441 2.556) 8.651 12.147 ( -1.984 1.913 2.494) 3.717 12.320 ( -2.284 -3.143 3.721) 5.380 12.461 ( 0.415 4.912 -0.871) 5.006 12.901 ( 13.256 -7.478 -21.107) 26.022 16.753 ( -2.817 2.351 10.190) 10.830 16.954 ( -1.830 -2.668 3.541) 4.797 17.082 ( 1.645 3.440 0.155) 3.816 17.233 ( 2.872 1.401 -12.526) 12.928 17.515 ( -0.294 0.710 2.631) 2.741 17.646 ( -2.030 -2.355 3.342) 4.564 17.773 ( 2.910 -1.746 -5.759) 6.684 17.897 ( -0.514 -2.958 -2.521) 3.921 19.240 ( -2.485 1.356 0.541) 2.882 19.309 ( -2.191 4.403 -2.194) 5.385 19.385 ( 3.613 -0.827 2.772) 4.629 19.575 ( 3.884 -1.963 -6.675) 7.968 23.980 ( -1.099 4.080 1.654) 4.538 24.068 ( 1.151 5.423 -3.940) 6.801 24.423 ( 0.202 -7.291 2.373) 7.670 24.572 ( 6.685 -7.914 -5.157) 11.572 26.153 ( -2.515 8.917 -0.653) 9.288 26.298 ( 5.646 12.230 0.791) 13.493 26.861 ( -3.677 -4.660 2.207) 6.333 27.217 ( 9.154 -7.839 -7.580) 14.238 28.333 ( -0.343 1.256 -0.877) 1.570 28.394 ( -0.631 -0.579 -3.124) 3.239 28.441 ( 0.478 0.571 -2.610) 2.715 28.480 ( 0.429 -0.465 -3.716) 3.770 35.671 ( -4.511 3.948 14.439) 15.634 35.974 ( -0.300 4.936 1.556) 5.184 36.365 ( -6.241 -12.875 18.837) 23.655 36.696 ( -11.098 -17.702 1.123) 20.923 38.813 ( -7.805 6.306 7.089) 12.286 39.108 ( -1.897 7.042 9.203) 11.742 39.362 ( -3.033 12.068 2.891) 12.775 40.128 ( 0.090 -4.492 -30.177) 30.509 ======================= Grid point 146 (81/111) ======================= q-point: ( 0.22 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 2.886 8.142 8.729) 12.281 1.662 ( 6.446 5.875 1.670) 8.880 1.817 ( 9.092 1.539 -5.546) 10.760 1.872 ( 10.401 2.985 -6.029) 12.387 2.172 ( -1.941 -5.300 11.062) 12.418 2.493 ( 0.758 -1.353 -2.588) 3.017 2.651 ( 0.080 -6.605 0.256) 6.610 2.733 ( -1.055 -3.413 -4.152) 5.477 3.176 ( -5.559 1.437 25.448) 26.087 3.493 ( -3.038 -4.782 17.534) 18.426 3.577 ( 1.275 1.198 4.456) 4.787 3.757 ( 3.350 -3.270 -6.689) 8.164 3.893 ( -1.744 5.040 -1.330) 5.496 4.015 ( 1.612 6.037 0.712) 6.289 4.178 ( -5.194 -0.482 -1.284) 5.372 4.207 ( -6.087 0.758 -7.836) 9.951 4.709 ( 4.220 4.012 15.617) 16.668 4.986 ( 9.523 0.862 -0.225) 9.565 5.128 ( 3.361 -1.402 6.360) 7.329 5.498 ( 8.263 -7.029 -15.662) 19.052 5.999 ( 1.488 0.094 11.069) 11.169 6.012 ( 2.141 0.223 10.286) 10.509 6.174 ( -1.856 -2.185 -5.791) 6.462 6.282 ( -4.508 -0.189 0.370) 4.527 6.368 ( -1.068 -1.888 4.573) 5.062 6.439 ( -0.033 -1.591 5.124) 5.365 6.477 ( -2.255 7.734 -1.374) 8.173 6.701 ( 0.320 2.793 -0.396) 2.839 6.924 ( -3.133 3.620 -0.037) 4.788 7.069 ( -1.987 -0.764 -2.419) 3.222 7.156 ( -0.576 1.017 0.893) 1.471 7.318 ( 1.394 1.849 2.247) 3.227 7.339 ( -1.156 -2.402 2.941) 3.970 7.424 ( -2.319 3.570 3.771) 5.687 7.524 ( -8.401 -4.169 1.615) 9.517 7.675 ( -0.389 0.984 1.955) 2.223 7.831 ( -0.657 -2.183 0.069) 2.281 7.975 ( 1.679 -3.270 2.634) 4.522 8.041 ( 0.186 -0.962 1.046) 1.433 8.107 ( 2.425 -2.137 4.922) 5.888 8.289 ( -2.221 1.042 4.055) 4.739 8.419 ( -1.525 -0.249 4.043) 4.328 8.444 ( -0.742 2.359 2.147) 3.275 8.570 ( -1.301 0.216 0.813) 1.549 8.731 ( 0.342 -1.812 -6.429) 6.688 8.784 ( 2.283 -0.464 -8.167) 8.492 8.844 ( -1.887 1.071 -0.971) 2.377 8.987 ( 1.660 -3.001 -5.601) 6.568 9.710 ( -6.554 -1.204 7.347) 9.918 9.853 ( -4.719 -2.084 2.821) 5.880 9.990 ( -0.015 1.803 2.723) 3.266 10.099 ( -1.464 -2.031 1.386) 2.862 10.334 ( -1.691 6.160 3.211) 7.150 10.581 ( -0.358 -4.797 4.935) 6.891 10.723 ( 5.086 -1.186 11.908) 13.003 10.783 ( 6.255 -1.863 5.832) 8.753 11.224 ( -10.472 -2.227 2.750) 11.054 11.307 ( -8.846 -2.608 -3.926) 10.024 11.471 ( -7.276 8.970 9.211) 14.773 11.607 ( -6.252 4.958 7.727) 11.107 12.146 ( 0.054 1.649 2.908) 3.344 12.301 ( -1.268 -2.249 4.213) 4.941 12.474 ( 0.769 4.128 0.138) 4.202 12.964 ( 5.172 -8.544 -21.193) 23.429 16.749 ( -2.600 2.342 8.984) 9.642 16.943 ( -1.083 -2.349 3.824) 4.617 17.107 ( 0.876 2.729 -0.370) 2.890 17.215 ( 1.770 0.789 -11.956) 12.112 17.523 ( -0.447 -0.240 3.746) 3.781 17.634 ( -1.486 -2.218 5.275) 5.912 17.810 ( 4.540 -1.200 -8.079) 9.345 17.885 ( 0.464 -1.910 -2.205) 2.954 19.200 ( -1.435 4.332 -0.717) 4.619 19.250 ( -2.673 4.975 -0.522) 5.672 19.476 ( 3.510 -2.870 2.696) 5.275 19.622 ( 4.250 -3.697 -6.181) 8.363 23.950 ( -2.753 4.219 1.847) 5.366 24.066 ( 1.123 6.861 -5.323) 8.756 24.430 ( -0.803 -7.752 2.318) 8.131 24.686 ( 8.643 -8.932 -10.291) 16.137 26.127 ( -0.062 9.494 0.318) 9.500 26.421 ( 5.861 12.449 0.630) 13.774 26.817 ( -1.969 -5.527 3.744) 6.960 27.343 ( 7.813 -9.229 -8.600) 14.839 28.321 ( -0.392 1.092 -0.734) 1.373 28.364 ( -0.841 -0.891 -2.668) 2.936 28.434 ( 0.367 1.163 -3.101) 3.333 28.464 ( -0.044 -0.279 -3.807) 3.818 35.658 ( -4.387 3.546 14.323) 15.394 35.973 ( -0.637 4.579 1.761) 4.947 36.290 ( -10.529 -15.063 16.250) 24.532 36.530 ( -8.586 -6.487 10.965) 15.364 38.704 ( -6.462 4.116 5.864) 9.648 39.118 ( -1.679 8.676 7.346) 11.492 39.271 ( -8.279 5.432 5.975) 11.565 39.981 ( 0.254 -4.451 -26.553) 26.925 ======================= Grid point 147 (82/111) ======================= q-point: ( 0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -0.528 8.908 5.764) 10.624 1.791 ( 6.865 3.285 -4.703) 8.946 1.971 ( 8.079 0.519 -3.061) 8.655 2.026 ( 7.144 3.343 -4.772) 9.219 2.190 ( -1.970 -2.304 11.173) 11.577 2.515 ( 2.980 -3.745 -2.340) 5.327 2.644 ( -0.992 -4.405 -1.373) 4.719 2.692 ( -1.033 -2.527 -1.958) 3.360 3.184 ( -7.226 1.265 26.443) 27.442 3.486 ( -6.851 -6.883 16.255) 18.935 3.625 ( 0.727 4.512 5.562) 7.199 3.799 ( 3.696 -2.387 -5.732) 7.226 3.858 ( 0.034 1.955 -3.567) 4.068 4.017 ( -0.026 3.535 -9.348) 9.994 4.037 ( -6.754 1.071 -1.812) 7.074 4.081 ( -4.029 1.941 -1.270) 4.649 4.855 ( 1.631 3.886 17.410) 17.913 5.181 ( 9.703 0.082 0.701) 9.729 5.242 ( 4.321 -1.303 7.262) 8.550 5.619 ( 11.622 -6.620 -14.359) 19.623 6.057 ( -2.702 1.911 7.519) 8.215 6.083 ( 0.031 0.467 2.584) 2.626 6.142 ( -0.262 -0.270 10.601) 10.608 6.232 ( -0.286 -2.561 -0.135) 2.581 6.347 ( -0.169 0.542 4.409) 4.446 6.420 ( -2.956 2.270 0.757) 3.804 6.527 ( 4.226 -2.143 2.919) 5.565 6.685 ( -0.745 0.918 -1.120) 1.628 6.891 ( -0.169 4.979 -1.388) 5.172 7.017 ( -1.877 -0.821 -3.020) 3.649 7.141 ( -1.144 1.489 -1.368) 2.323 7.301 ( -3.671 -2.723 -5.512) 7.160 7.315 ( -3.702 0.436 7.738) 8.589 7.393 ( -4.530 -1.464 4.086) 6.274 7.471 ( 3.701 5.183 7.614) 9.927 7.669 ( -0.573 0.821 -1.743) 2.010 7.795 ( -1.647 -1.476 -4.232) 4.775 8.008 ( 1.271 -1.641 1.337) 2.469 8.066 ( -0.525 -1.938 7.970) 8.219 8.169 ( 0.248 -0.032 6.708) 6.712 8.268 ( -1.336 -0.320 2.601) 2.942 8.390 ( -3.551 -1.318 3.768) 5.342 8.432 ( -1.718 1.669 3.501) 4.242 8.561 ( 0.164 0.984 -0.843) 1.306 8.705 ( -0.479 -1.479 -4.731) 4.980 8.788 ( 2.180 -0.929 -7.138) 7.521 8.806 ( -0.394 2.759 -2.505) 3.747 8.981 ( 0.610 -2.669 -4.919) 5.630 9.638 ( -5.452 -0.520 10.766) 12.079 9.797 ( -2.412 -3.268 2.545) 4.793 10.004 ( 0.402 1.426 0.365) 1.526 10.112 ( 1.231 -1.989 3.622) 4.312 10.314 ( -2.036 6.469 2.955) 7.398 10.616 ( 1.254 -6.029 5.667) 8.369 10.845 ( -1.395 -1.691 13.671) 13.846 10.948 ( 7.650 -0.968 5.153) 9.274 11.035 ( -6.411 -0.289 -1.843) 6.677 11.135 ( -6.625 -5.144 -4.663) 9.596 11.358 ( -8.569 8.404 7.939) 14.390 11.516 ( -7.022 4.266 5.867) 10.096 12.168 ( 0.240 1.865 4.563) 4.936 12.311 ( -1.129 -1.514 7.271) 7.512 12.486 ( 0.823 3.571 -1.789) 4.078 12.924 ( 2.318 -7.115 -18.690) 20.132 16.744 ( -2.320 2.326 7.982) 8.632 16.952 ( -0.264 -2.612 4.706) 5.389 17.113 ( 0.089 2.113 -0.648) 2.212 17.181 ( 0.849 0.648 -11.377) 11.427 17.536 ( -0.548 -0.401 4.890) 4.937 17.639 ( -1.240 -2.634 6.612) 7.225 17.861 ( 5.213 -0.900 -9.614) 10.973 17.890 ( 1.517 -1.045 -3.267) 3.751 19.180 ( -0.433 6.024 -0.631) 6.072 19.205 ( -1.668 5.474 -0.385) 5.736 19.539 ( 1.647 -4.202 2.451) 5.136 19.672 ( 3.996 -4.643 -5.752) 8.403 23.901 ( -3.127 4.204 2.202) 5.684 24.060 ( 1.395 7.650 -6.268) 9.988 24.413 ( -2.400 -7.934 3.312) 8.926 24.780 ( 7.303 -10.125 -14.793) 19.357 26.150 ( 1.857 10.317 1.478) 10.586 26.488 ( 1.170 13.837 -3.207) 14.252 26.850 ( 2.416 -7.308 8.431) 11.416 27.423 ( 4.800 -10.346 -8.425) 14.179 28.313 ( -0.018 0.832 -0.699) 1.087 28.339 ( -0.425 -0.976 -2.218) 2.460 28.424 ( 0.406 1.645 -3.571) 3.952 28.444 ( 0.182 0.243 -4.134) 4.146 35.649 ( -4.047 3.419 14.282) 15.233 35.968 ( -0.713 4.294 1.324) 4.550 36.180 ( -8.489 -11.611 17.550) 22.691 36.452 ( -6.779 -4.508 13.370) 15.654 38.628 ( -4.332 1.811 5.240) 7.036 39.101 ( -1.760 18.927 -9.846) 21.407 39.143 ( -9.002 -6.880 20.796) 23.682 39.885 ( 2.965 -4.734 -22.863) 23.536 ======================= Grid point 148 (83/111) ======================= q-point: (-0.56 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -2.724 8.691 5.979) 10.895 1.858 ( 2.514 1.204 -6.581) 7.147 2.044 ( 0.300 1.207 -0.229) 1.264 2.100 ( 2.932 4.279 -4.723) 7.016 2.208 ( -1.264 -0.925 8.066) 8.217 2.575 ( 3.628 -6.196 -1.927) 7.435 2.597 ( -1.703 -2.467 -3.094) 4.308 2.693 ( 1.274 -1.849 0.930) 2.430 3.175 ( -7.747 0.506 27.933) 28.992 3.402 ( -9.891 -3.949 15.767) 19.026 3.639 ( -2.478 3.377 6.326) 7.587 3.805 ( -3.823 0.057 -0.104) 3.825 3.864 ( 2.420 -0.367 -4.543) 5.161 3.906 ( -0.569 1.720 -6.606) 6.850 3.996 ( 1.225 1.717 -5.651) 6.032 4.025 ( -1.630 1.738 -2.282) 3.299 4.930 ( -2.942 3.426 16.316) 16.930 5.270 ( -4.489 -5.213 17.095) 18.427 5.419 ( 13.730 3.236 -12.328) 18.734 5.773 ( 10.709 -5.497 -12.765) 17.546 6.008 ( -3.508 0.933 4.473) 5.761 6.055 ( -4.752 2.685 5.631) 7.842 6.172 ( -1.935 0.163 7.291) 7.545 6.297 ( 3.427 -4.585 7.474) 9.414 6.361 ( -2.205 2.389 -0.126) 3.254 6.437 ( 6.462 -0.787 0.900) 6.572 6.600 ( 1.397 -0.876 5.771) 6.002 6.714 ( 5.313 -1.692 -4.053) 6.893 6.875 ( -1.132 1.202 -2.285) 2.819 6.979 ( -0.925 2.908 -0.254) 3.062 7.101 ( -0.831 2.555 -5.302) 5.944 7.174 ( -4.701 -2.695 -7.347) 9.129 7.291 ( -3.115 1.366 9.677) 10.257 7.356 ( -2.582 -0.420 5.614) 6.194 7.589 ( 0.984 1.280 2.182) 2.714 7.654 ( 2.962 2.848 -0.281) 4.118 7.743 ( -0.820 -0.560 -2.270) 2.478 8.035 ( -0.703 0.072 3.892) 3.955 8.088 ( -0.984 -3.540 6.227) 7.230 8.173 ( -3.208 2.931 6.271) 7.629 8.266 ( -0.264 -1.909 1.030) 2.185 8.331 ( -4.411 -1.911 5.812) 7.543 8.423 ( -1.022 1.819 3.726) 4.270 8.560 ( 0.235 2.188 -1.362) 2.588 8.669 ( -0.583 -1.164 -3.436) 3.674 8.796 ( 2.665 -0.616 -8.382) 8.817 8.809 ( 1.557 1.514 -1.917) 2.897 8.968 ( 0.500 -1.794 -3.540) 4.000 9.613 ( -3.295 0.148 12.587) 13.012 9.786 ( 0.131 -4.671 1.752) 4.990 10.018 ( 1.233 2.002 -0.002) 2.351 10.137 ( -0.923 -1.833 -0.191) 2.061 10.322 ( 1.278 5.369 8.220) 9.900 10.660 ( -2.390 -6.119 4.708) 8.082 10.768 ( -4.568 -2.287 4.920) 7.092 10.945 ( -7.658 -3.066 0.081) 8.250 11.070 ( 4.657 2.730 2.925) 6.140 11.151 ( 6.925 -3.735 5.286) 9.479 11.239 ( -6.709 5.708 5.347) 10.304 11.400 ( -6.235 2.914 2.036) 7.178 12.199 ( -0.165 1.593 6.651) 6.841 12.321 ( -2.124 -1.394 8.684) 9.048 12.479 ( -0.120 4.524 -3.828) 5.928 12.901 ( 5.144 -5.945 -17.061) 18.785 16.741 ( -2.211 2.550 7.872) 8.565 16.976 ( -0.071 -3.139 5.143) 6.026 17.105 ( -0.843 1.690 -0.505) 1.955 17.139 ( 1.106 1.081 -10.766) 10.876 17.545 ( -1.356 -0.308 5.326) 5.505 17.649 ( -1.452 -2.539 7.154) 7.729 17.903 ( 4.200 -0.869 -11.265) 12.053 17.911 ( 2.668 -0.845 -3.709) 4.647 19.163 ( -1.317 4.774 0.732) 5.006 19.195 ( 1.381 7.746 -2.029) 8.125 19.565 ( -0.112 -5.125 2.167) 5.565 19.714 ( 3.338 -5.003 -5.718) 8.299 23.859 ( -2.421 4.202 2.750) 5.575 24.058 ( 1.861 7.834 -6.980) 10.656 24.375 ( -3.725 -7.948 5.470) 10.342 24.806 ( 3.483 -10.703 -16.437) 19.922 26.208 ( 3.005 10.842 2.382) 11.500 26.449 ( -2.300 13.709 -5.048) 14.788 26.965 ( 3.516 -7.333 10.479) 13.264 27.438 ( 1.356 -11.024 -8.988) 14.288 28.313 ( 0.378 0.634 -0.810) 1.096 28.331 ( 0.757 -0.922 -1.787) 2.149 28.415 ( 0.700 1.861 -3.919) 4.395 28.431 ( 0.762 0.776 -4.636) 4.762 35.648 ( -3.599 3.666 14.332) 15.225 35.958 ( -0.748 4.415 0.471) 4.503 36.164 ( -2.947 -11.020 19.857) 22.900 36.397 ( -5.212 -4.090 11.502) 13.274 38.590 ( -2.477 1.289 5.705) 6.351 38.980 ( -4.803 8.481 -3.857) 10.482 39.135 ( -2.364 3.693 12.228) 12.990 39.869 ( 7.073 -5.598 -21.301) 23.133 ======================= Grid point 149 (84/111) ======================= q-point: (-0.44 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -4.507 8.155 7.326) 11.853 1.803 ( -5.959 0.633 -1.799) 6.257 2.026 ( -0.733 3.068 -2.819) 4.231 2.083 ( -3.119 2.859 1.799) 4.597 2.201 ( -2.513 0.250 0.755) 2.636 2.562 ( -1.115 -3.507 0.873) 3.782 2.619 ( 2.148 -5.616 -4.001) 7.222 2.744 ( 3.200 -1.551 0.755) 3.635 3.173 ( -7.499 -0.180 28.878) 29.836 3.285 ( -10.416 -2.024 17.282) 20.280 3.601 ( -4.511 0.951 6.386) 7.877 3.698 ( -5.865 2.484 4.103) 7.576 3.867 ( -0.295 1.417 -5.617) 5.800 3.931 ( 3.830 -0.275 -2.668) 4.676 3.968 ( -0.877 0.890 -4.366) 4.542 4.034 ( 3.297 1.612 -3.450) 5.037 4.912 ( -6.143 2.966 12.800) 14.504 5.214 ( -9.320 -5.042 14.524) 17.979 5.585 ( 9.919 2.805 -15.388) 18.521 5.883 ( 6.229 -3.309 -9.387) 11.742 5.976 ( -4.617 0.728 7.060) 8.467 5.983 ( -3.970 2.017 6.281) 7.699 6.160 ( -1.343 -2.949 1.772) 3.693 6.327 ( -0.693 2.657 3.408) 4.376 6.411 ( 4.610 -4.605 0.216) 6.519 6.567 ( 5.567 0.096 3.790) 6.735 6.670 ( 3.137 0.609 -0.830) 3.301 6.803 ( 4.446 -4.020 -5.614) 8.213 6.834 ( -0.714 0.015 3.416) 3.489 6.962 ( -1.607 3.266 0.011) 3.640 7.059 ( -1.426 0.379 -7.800) 7.938 7.090 ( 1.845 2.475 -5.320) 6.151 7.295 ( -2.007 1.433 11.257) 11.524 7.355 ( -0.730 -0.736 7.872) 7.939 7.542 ( -2.426 1.052 -2.882) 3.911 7.670 ( 0.694 -0.576 -7.266) 7.322 7.838 ( 5.461 1.503 9.764) 11.288 7.977 ( -5.230 1.047 -3.794) 6.546 8.079 ( -5.275 -0.178 4.912) 7.210 8.136 ( -1.771 -2.304 7.950) 8.465 8.267 ( -0.437 -0.409 4.289) 4.330 8.303 ( -2.617 -0.459 8.387) 8.798 8.426 ( -0.034 2.466 0.565) 2.530 8.559 ( -0.142 2.042 1.157) 2.351 8.659 ( 1.514 -2.148 -4.251) 4.998 8.805 ( 2.565 0.206 -8.270) 8.661 8.831 ( 1.621 -0.163 -2.405) 2.905 8.967 ( 0.964 -0.703 -2.578) 2.841 9.637 ( -0.747 0.393 11.678) 11.708 9.815 ( 1.991 -5.306 1.154) 5.783 10.049 ( 1.049 2.522 0.511) 2.779 10.091 ( -1.449 0.580 -2.055) 2.581 10.449 ( 5.880 0.164 12.796) 14.083 10.544 ( -7.034 -0.636 0.040) 7.063 10.789 ( -8.058 -5.137 0.615) 9.576 10.821 ( 3.213 -6.643 7.269) 10.358 11.126 ( -6.502 2.675 6.274) 9.423 11.181 ( -1.300 1.530 4.340) 4.782 11.226 ( 2.349 4.562 2.784) 5.838 11.425 ( 8.698 0.670 0.685) 8.751 12.214 ( -2.572 0.648 8.557) 8.959 12.316 ( -2.476 -2.058 6.247) 7.028 12.463 ( 1.237 6.795 -3.043) 7.547 12.936 ( 6.865 -5.992 -18.287) 20.431 16.739 ( -2.270 2.843 8.504) 9.249 16.996 ( -0.650 -3.403 5.025) 6.103 17.069 ( -1.383 2.057 -3.048) 3.929 17.128 ( 2.254 1.194 -7.732) 8.142 17.535 ( -2.443 -0.101 5.275) 5.814 17.656 ( -1.469 -2.521 7.104) 7.680 17.909 ( 2.372 -0.676 -11.561) 11.821 17.944 ( 2.874 -0.865 -4.697) 5.574 19.147 ( -0.625 4.342 0.426) 4.408 19.226 ( 2.815 7.849 -2.319) 8.655 19.557 ( -1.797 -5.452 1.934) 6.057 19.739 ( 2.301 -4.942 -6.180) 8.240 23.840 ( -1.121 4.308 3.297) 5.539 24.059 ( 1.912 7.555 -7.121) 10.557 24.335 ( -3.561 -8.036 7.729) 11.705 24.752 ( -0.635 -10.378 -14.390) 17.753 26.282 ( 2.964 10.952 2.965) 11.727 26.366 ( -3.309 14.192 -5.229) 15.482 27.065 ( 0.933 -7.559 10.276) 12.790 27.382 ( -1.851 -10.990 -11.161) 15.772 28.319 ( 0.703 0.538 -1.142) 1.445 28.348 ( 1.819 -1.008 -1.565) 2.603 28.415 ( 1.440 1.692 -4.021) 4.594 28.426 ( 1.187 1.026 -4.947) 5.190 35.655 ( -3.210 4.178 14.484) 15.413 35.948 ( -0.457 4.347 0.408) 4.390 36.237 ( -1.139 -11.402 16.978) 20.483 36.400 ( 1.147 -6.448 11.709) 13.416 38.594 ( -0.429 2.418 7.463) 7.856 38.897 ( -2.362 6.644 -1.165) 7.147 39.170 ( 0.808 7.424 7.420) 10.527 39.939 ( 11.382 -6.319 -21.931) 25.504 ======================= Grid point 150 (85/111) ======================= q-point: (-0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -8.006 6.170 10.112) 14.298 1.643 ( -9.963 6.094 3.656) 12.238 1.983 ( -0.938 5.791 -8.898) 10.657 2.031 ( -4.167 -0.836 7.831) 8.910 2.122 ( -5.140 -0.256 -0.533) 5.174 2.555 ( 0.077 -3.094 -0.660) 3.165 2.619 ( -0.755 -7.519 -0.498) 7.574 2.808 ( 3.375 -1.385 -1.712) 4.029 3.158 ( -9.584 -0.644 26.281) 27.982 3.214 ( -5.881 -0.436 21.454) 22.250 3.561 ( -2.839 0.163 8.514) 8.977 3.622 ( -6.011 0.420 8.705) 10.587 3.822 ( -0.279 3.016 -7.382) 7.979 3.924 ( -0.914 2.680 -3.039) 4.154 4.001 ( 3.313 -1.216 -1.268) 3.751 4.084 ( 2.576 1.307 0.484) 2.929 4.845 ( -5.653 2.377 7.267) 9.508 5.076 ( -11.487 -4.569 12.131) 17.320 5.626 ( 3.430 2.998 -18.873) 19.415 5.890 ( -4.088 -1.060 6.119) 7.435 5.910 ( -4.234 -0.905 5.414) 6.933 5.976 ( 1.062 -1.988 -5.477) 5.922 6.159 ( 0.722 -1.795 0.545) 2.010 6.343 ( 1.727 3.623 -0.264) 4.023 6.471 ( -0.017 -2.061 1.401) 2.492 6.650 ( 1.150 0.070 -2.616) 2.858 6.708 ( 3.794 -1.090 -3.187) 5.073 6.773 ( -0.477 1.207 -2.924) 3.199 6.896 ( -1.441 -1.407 -5.598) 5.950 6.972 ( 6.458 -2.108 5.826) 8.949 7.054 ( 3.204 2.717 -1.547) 4.477 7.125 ( 3.084 1.670 -3.020) 4.629 7.324 ( -1.335 1.223 12.584) 12.713 7.404 ( 0.805 -1.567 8.923) 9.095 7.496 ( -1.197 1.827 -0.312) 2.206 7.657 ( 1.400 -1.075 -6.517) 6.752 7.835 ( -5.585 1.640 -6.668) 8.851 7.950 ( -3.657 1.477 2.014) 4.428 7.981 ( -0.397 -0.839 7.755) 7.810 8.165 ( -1.262 -3.725 10.093) 10.833 8.279 ( -1.740 1.125 5.859) 6.215 8.318 ( 0.237 -0.107 8.442) 8.446 8.424 ( 0.744 3.701 -3.363) 5.056 8.562 ( -1.096 0.260 3.867) 4.028 8.677 ( 2.589 -2.889 -5.119) 6.423 8.811 ( 2.522 1.493 -8.380) 8.878 8.844 ( 1.151 -1.579 -2.723) 3.352 8.977 ( 1.312 0.048 -2.362) 2.702 9.695 ( 1.365 0.319 8.125) 8.245 9.870 ( 2.924 -5.021 1.030) 5.901 10.024 ( -1.425 1.436 -1.395) 2.458 10.115 ( 2.261 1.516 0.650) 2.799 10.419 ( -5.280 1.543 -0.616) 5.535 10.636 ( -3.838 -6.155 4.172) 8.368 10.690 ( 6.139 -3.933 13.675) 15.497 10.920 ( 2.529 -7.150 6.894) 10.250 11.017 ( -7.293 1.332 5.496) 9.228 11.109 ( -2.946 -2.180 -0.022) 3.665 11.402 ( 10.394 11.241 6.517) 16.639 11.603 ( 8.033 2.349 0.993) 8.428 12.195 ( -3.565 -0.237 8.835) 9.530 12.287 ( -2.475 -0.998 2.634) 3.750 12.505 ( 3.176 5.453 -0.117) 6.311 12.937 ( 2.771 -5.740 -21.459) 22.386 16.739 ( -2.440 2.925 9.474) 10.212 16.997 ( -1.507 -2.130 3.749) 4.567 17.037 ( -0.721 1.429 -1.125) 1.957 17.138 ( 3.111 1.388 -8.730) 9.371 17.512 ( -2.408 0.378 4.870) 5.446 17.668 ( -0.870 -3.497 6.835) 7.727 17.877 ( 0.476 0.163 -11.463) 11.474 17.970 ( 2.249 -1.227 -5.134) 5.737 19.144 ( 0.103 3.613 0.233) 3.622 19.276 ( 3.598 7.079 -2.812) 8.424 19.517 ( -3.321 -5.045 1.990) 6.359 19.735 ( 0.575 -4.285 -6.931) 8.169 23.850 ( 0.307 4.381 3.498) 5.615 24.057 ( 1.210 6.391 -5.559) 8.557 24.323 ( -1.847 -7.747 7.930) 11.239 24.651 ( -3.072 -9.489 -9.838) 14.009 26.276 ( -3.111 14.867 -4.527) 15.849 26.345 ( 1.659 10.850 3.056) 11.393 27.099 ( -2.410 -7.549 8.983) 11.979 27.260 ( -4.188 -10.100 -13.018) 17.001 28.327 ( 0.889 0.754 -1.649) 2.019 28.380 ( 2.084 -1.233 -1.393) 2.793 28.424 ( 1.604 0.822 -5.416) 5.708 28.432 ( 2.003 1.150 -3.579) 4.259 35.669 ( -3.103 4.669 14.680) 15.714 35.946 ( 0.010 4.286 0.485) 4.313 36.263 ( -2.627 -7.586 11.963) 14.407 36.575 ( 9.225 -17.130 11.428) 22.564 38.654 ( 2.061 4.208 9.883) 10.938 38.881 ( 0.634 6.566 2.132) 6.933 39.236 ( 3.263 11.559 2.164) 12.204 40.072 ( 14.110 -6.255 -24.228) 28.726 ======================= Grid point 151 (86/111) ======================= q-point: (-0.22 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -12.111 4.960 14.557) 19.575 1.492 ( -7.908 13.380 6.674) 16.915 1.901 ( -2.459 6.136 -9.907) 11.910 1.995 ( -2.526 2.002 -5.017) 5.963 2.029 ( -5.224 -6.492 12.025) 14.630 2.555 ( 1.046 -0.584 -3.882) 4.063 2.597 ( -1.967 -11.483 3.784) 12.250 2.850 ( 2.251 -1.537 -3.562) 4.485 3.114 ( -7.921 -1.471 25.701) 26.934 3.232 ( -4.004 -0.207 20.168) 20.563 3.540 ( -5.709 2.059 11.208) 12.745 3.605 ( 0.003 -0.019 13.307) 13.307 3.788 ( 0.337 2.527 -7.140) 7.581 3.911 ( 1.665 5.278 -2.343) 6.010 4.039 ( 0.414 -2.763 1.404) 3.127 4.138 ( 1.758 1.207 4.434) 4.921 4.778 ( -3.535 0.967 1.116) 3.831 4.915 ( -10.620 -3.784 10.282) 15.259 5.537 ( -1.610 3.089 -21.319) 21.602 5.845 ( -4.430 -2.538 8.875) 10.239 5.864 ( -4.979 -2.195 11.501) 12.723 5.916 ( -0.433 -5.346 -18.614) 19.371 6.186 ( 0.340 4.885 4.780) 6.842 6.395 ( 3.997 2.874 -3.368) 5.965 6.438 ( -2.220 0.376 0.797) 2.389 6.618 ( -3.502 -1.762 -4.875) 6.256 6.690 ( 0.555 -0.623 -6.322) 6.377 6.803 ( -1.045 5.537 1.344) 5.793 6.901 ( 6.004 -3.214 -4.414) 8.116 7.080 ( 4.078 -0.188 -1.634) 4.397 7.132 ( 1.904 -1.135 0.259) 2.231 7.177 ( 2.723 0.022 4.079) 4.905 7.375 ( -0.103 1.301 12.369) 12.438 7.454 ( 0.901 -1.358 5.858) 6.080 7.511 ( 1.784 0.608 4.519) 4.896 7.637 ( -0.899 -1.130 -4.432) 4.661 7.726 ( -2.337 2.039 -4.694) 5.626 7.857 ( -4.491 -0.923 4.693) 6.561 8.040 ( 1.179 -0.501 2.514) 2.822 8.174 ( -2.280 -2.805 6.804) 7.704 8.280 ( -1.490 0.932 7.617) 7.818 8.367 ( 0.379 -0.290 5.928) 5.947 8.430 ( 1.784 3.972 -3.522) 5.601 8.553 ( -1.512 -0.283 3.405) 3.736 8.700 ( 2.381 -2.927 -4.513) 5.883 8.818 ( 2.680 2.118 -8.683) 9.331 8.851 ( 1.035 -2.113 -2.581) 3.492 8.990 ( 1.222 0.030 -2.787) 3.043 9.766 ( 2.491 0.131 4.603) 5.236 9.932 ( 2.862 -4.064 0.905) 5.052 10.005 ( -0.219 0.222 -0.130) 0.338 10.150 ( 1.203 -0.518 -1.224) 1.793 10.340 ( -3.058 4.940 2.045) 6.160 10.545 ( -5.015 -4.263 4.856) 8.180 10.836 ( -4.761 -1.412 6.260) 7.991 10.918 ( -2.961 -1.716 0.505) 3.459 11.031 ( 5.579 -9.191 9.968) 14.662 11.126 ( 4.484 -6.735 7.967) 11.355 11.675 ( 11.242 8.963 2.897) 14.667 11.740 ( 9.184 9.037 3.523) 13.357 12.179 ( -2.553 -1.615 7.963) 8.517 12.263 ( -1.241 0.361 2.712) 3.004 12.553 ( 1.413 2.615 -0.779) 3.072 12.802 ( -5.281 -3.482 -22.401) 23.277 16.741 ( -2.553 2.730 10.357) 11.010 16.986 ( -1.141 -0.558 2.981) 3.241 17.025 ( -0.658 0.217 1.183) 1.370 17.160 ( 4.275 1.966 -10.627) 11.622 17.497 ( -1.408 1.311 3.905) 4.353 17.692 ( -0.290 -5.673 6.220) 8.423 17.820 ( -0.339 0.958 -10.375) 10.424 17.976 ( 1.121 -1.837 -5.324) 5.743 19.153 ( 0.726 2.890 0.457) 3.014 19.331 ( 3.472 5.350 -3.256) 7.161 19.455 ( -4.032 -3.394 2.327) 5.761 19.689 ( -1.527 -2.955 -7.586) 8.283 23.884 ( 1.446 4.275 3.126) 5.490 24.052 ( 0.669 4.683 -3.081) 5.645 24.340 ( -0.194 -7.117 6.128) 9.394 24.551 ( -3.119 -8.628 -4.944) 10.422 26.207 ( -1.630 15.355 -3.836) 15.910 26.370 ( -0.861 10.446 2.519) 10.780 27.069 ( -4.685 -7.072 7.046) 11.027 27.112 ( -3.793 -8.553 -11.678) 14.964 28.336 ( 0.874 1.037 -1.784) 2.241 28.410 ( 1.681 -1.174 -1.219) 2.386 28.427 ( 1.540 0.636 -5.274) 5.531 28.456 ( 2.185 0.309 -3.670) 4.282 35.682 ( -3.369 4.888 14.810) 15.955 35.952 ( 0.264 4.444 0.592) 4.491 36.281 ( -1.819 -6.986 12.491) 14.428 36.807 ( 9.513 -27.104 3.506) 28.938 38.760 ( 3.173 4.385 9.361) 10.813 38.952 ( 3.706 6.206 10.054) 12.383 39.301 ( 4.005 18.354 -5.900) 19.690 40.213 ( 13.501 -5.430 -27.441) 31.061 ======================= Grid point 152 (87/111) ======================= q-point: (-0.11 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -8.915 7.613 17.522) 21.082 1.418 ( -3.670 14.469 9.135) 17.500 1.793 ( -3.616 4.838 -8.756) 10.638 1.890 ( -3.426 2.243 -8.084) 9.062 2.041 ( -1.049 -7.482 11.511) 13.769 2.549 ( 0.390 1.149 -4.431) 4.594 2.596 ( -0.176 -13.370 3.975) 13.950 2.852 ( -0.096 -2.121 -3.891) 4.433 3.107 ( -6.694 -1.115 25.402) 26.293 3.269 ( -1.351 -3.721 16.830) 17.289 3.506 ( -4.187 6.903 12.991) 15.295 3.701 ( 2.052 0.639 12.014) 12.205 3.768 ( 1.304 1.866 -3.543) 4.211 3.979 ( 5.430 5.710 1.773) 8.077 4.033 ( -1.620 -3.851 0.880) 4.269 4.198 ( 1.298 1.800 8.240) 8.534 4.714 ( -2.735 -0.415 -3.486) 4.450 4.791 ( -6.839 -2.826 8.893) 11.569 5.372 ( -3.866 2.566 -20.541) 21.059 5.729 ( -5.524 -6.529 -13.451) 15.940 5.844 ( -2.437 -2.601 9.996) 10.612 5.872 ( -0.672 -2.116 3.480) 4.128 6.211 ( -0.137 5.121 4.878) 7.074 6.413 ( -1.291 0.475 0.131) 1.382 6.438 ( 2.085 0.442 -5.642) 6.031 6.528 ( -2.369 2.358 -2.024) 3.907 6.651 ( -1.554 0.444 -6.813) 7.002 6.760 ( -2.430 6.739 -1.740) 7.372 7.008 ( 4.920 -5.002 0.526) 7.036 7.129 ( -0.953 -1.575 0.077) 1.843 7.146 ( 3.395 -0.113 -1.734) 3.814 7.218 ( -1.080 0.497 4.991) 5.130 7.408 ( -0.729 3.702 5.247) 6.462 7.505 ( -1.361 -1.290 0.406) 1.918 7.591 ( 4.408 -1.315 5.299) 7.017 7.622 ( 0.693 -2.009 7.231) 7.537 7.703 ( 1.385 0.299 0.845) 1.650 7.817 ( -3.372 -4.219 6.252) 8.262 8.056 ( 0.541 -0.174 -1.355) 1.469 8.149 ( -2.446 -0.450 1.617) 2.967 8.294 ( -1.022 0.233 6.466) 6.550 8.384 ( -0.895 -0.313 4.126) 4.233 8.447 ( 0.740 3.543 -1.497) 3.916 8.555 ( 0.852 -0.213 1.472) 1.714 8.726 ( 2.518 -2.336 -3.894) 5.193 8.821 ( 2.056 1.398 -8.659) 9.009 8.860 ( 1.061 -1.772 -2.107) 2.950 8.992 ( 0.558 -0.977 -3.434) 3.614 9.830 ( 1.780 0.166 3.514) 3.943 9.974 ( 1.438 -0.072 -2.245) 2.667 10.010 ( -0.544 -3.196 3.997) 5.147 10.156 ( 1.099 -1.839 -3.212) 3.861 10.326 ( -0.543 6.311 5.986) 8.715 10.507 ( -1.760 -2.571 6.521) 7.227 10.724 ( -7.354 -0.240 1.112) 7.441 10.802 ( -7.614 -5.342 -1.310) 9.392 11.169 ( 3.059 -1.190 12.150) 12.586 11.328 ( 7.946 -10.139 11.353) 17.170 11.727 ( -0.690 6.657 -1.921) 6.963 12.073 ( 9.719 0.700 2.584) 10.081 12.176 ( 3.847 1.131 2.362) 4.654 12.260 ( -1.433 2.077 3.821) 4.579 12.544 ( -1.411 1.175 -2.642) 3.218 12.561 ( -5.305 0.833 -15.971) 16.850 16.746 ( -2.537 2.438 10.819) 11.377 16.983 ( -1.326 -2.134 4.254) 4.941 17.025 ( 0.325 2.103 0.866) 2.297 17.195 ( 5.167 2.267 -12.064) 13.318 17.496 ( -0.537 2.251 2.954) 3.752 17.706 ( -1.310 -6.650 3.469) 7.614 17.772 ( 0.257 0.309 -7.187) 7.198 17.960 ( -0.062 -2.608 -4.944) 5.590 19.183 ( 2.156 2.035 1.327) 3.248 19.352 ( -1.423 -0.392 -0.164) 1.485 19.410 ( -0.104 2.656 -0.664) 2.739 19.608 ( -2.353 -1.265 -7.821) 8.265 23.932 ( 1.875 4.054 2.359) 5.051 24.054 ( 0.787 3.690 -1.856) 4.205 24.371 ( 0.520 -6.810 4.279) 8.060 24.492 ( -1.036 -8.049 -1.778) 8.307 26.180 ( 0.576 15.063 -2.742) 15.322 26.329 ( -3.992 9.705 0.098) 10.495 27.001 ( -5.174 -6.303 4.921) 9.524 27.033 ( 1.338 -6.971 -7.332) 10.205 28.341 ( 0.560 1.180 -1.513) 1.999 28.427 ( 1.059 0.384 -4.687) 4.820 28.431 ( 1.161 -0.819 -1.416) 2.006 28.475 ( 1.729 -0.139 -3.737) 4.120 35.688 ( -3.873 4.779 14.780) 16.009 35.961 ( 0.262 4.748 0.819) 4.825 36.318 ( -1.783 -7.848 15.160) 17.164 36.935 ( 3.259 -32.419 -4.147) 32.845 38.852 ( 1.821 4.132 7.270) 8.558 39.093 ( 0.566 -0.488 20.907) 20.920 39.323 ( 4.670 28.823 -16.234) 33.408 40.290 ( 9.238 -4.576 -30.293) 32.000 ======================= Grid point 153 (88/111) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.473 11.949 13.028) 17.684 1.594 ( 1.368 -5.840 3.755) 7.077 1.794 ( -2.072 7.818 -2.762) 8.546 1.852 ( -1.805 1.185 -8.039) 8.324 2.039 ( -0.598 7.123 12.504) 14.402 2.314 ( -0.757 -16.924 9.145) 19.251 2.599 ( 2.089 4.888 -10.662) 11.913 2.718 ( 0.678 -6.746 -8.658) 10.996 3.146 ( -4.035 3.103 22.943) 23.500 3.231 ( -1.881 -5.751 19.990) 20.886 3.641 ( -1.305 5.809 3.035) 6.683 3.713 ( 0.038 -2.147 -1.731) 2.758 3.918 ( 2.515 2.159 11.753) 12.211 3.955 ( -0.230 -1.849 9.140) 9.328 4.209 ( 4.078 5.487 2.439) 7.258 4.283 ( 2.670 -1.799 5.869) 6.694 4.648 ( -2.071 1.728 0.895) 2.842 4.700 ( -1.159 -3.364 7.035) 7.884 5.273 ( -3.420 5.916 -18.655) 19.867 5.413 ( -3.066 -8.328 -18.024) 20.091 5.839 ( -0.196 -0.329 9.713) 9.720 5.853 ( -0.049 -1.700 8.397) 8.567 6.271 ( -0.507 1.480 -2.452) 2.909 6.304 ( -2.366 -1.992 -4.815) 5.723 6.493 ( -2.449 3.298 -0.835) 4.192 6.534 ( -2.286 -0.514 -1.778) 2.941 6.686 ( -0.223 6.756 3.474) 7.600 6.783 ( -1.234 -1.637 -0.620) 2.142 7.012 ( 0.466 0.535 2.860) 2.947 7.054 ( -1.714 -2.896 0.549) 3.410 7.223 ( -0.343 1.228 0.823) 1.518 7.226 ( 2.380 0.767 -0.005) 2.501 7.446 ( -3.752 4.994 4.965) 7.980 7.540 ( 0.641 3.538 3.465) 4.993 7.587 ( -2.831 -7.790 7.427) 11.129 7.614 ( 1.248 -3.472 6.603) 7.564 7.707 ( 0.404 -0.392 6.492) 6.516 7.736 ( 0.681 -3.140 4.111) 5.217 8.054 ( -0.502 0.951 -4.361) 4.491 8.084 ( -1.135 -1.759 -5.607) 5.985 8.335 ( -0.611 2.722 5.731) 6.374 8.382 ( -0.273 -1.752 5.144) 5.441 8.518 ( 0.455 3.681 -1.838) 4.140 8.567 ( 1.264 -1.694 -0.823) 2.268 8.742 ( 2.280 0.816 -4.505) 5.115 8.781 ( 1.464 -2.701 -6.048) 6.783 8.871 ( 0.156 1.904 -3.757) 4.214 8.924 ( -0.004 -3.334 -4.655) 5.726 9.866 ( -2.508 1.594 5.747) 6.470 9.916 ( -2.322 -3.602 5.895) 7.289 10.052 ( 1.120 3.381 -3.970) 5.334 10.115 ( 0.883 -3.152 -4.130) 5.270 10.432 ( -0.609 2.732 8.507) 8.956 10.496 ( 0.213 -3.689 6.688) 7.641 10.560 ( -5.842 2.411 2.533) 6.809 10.611 ( -4.477 -2.730 2.023) 5.621 11.331 ( 3.697 3.131 15.338) 16.085 11.401 ( 4.688 -4.366 15.095) 16.398 11.781 ( -6.387 5.857 -2.140) 8.927 11.876 ( -9.742 -4.009 -2.415) 10.808 12.246 ( -3.956 2.465 3.838) 6.038 12.290 ( -2.044 -2.087 3.750) 4.754 12.547 ( 3.243 3.908 -7.682) 9.209 12.619 ( 10.064 -3.381 -12.194) 16.168 16.813 ( -2.442 4.047 9.565) 10.669 16.897 ( -2.254 -4.471 7.235) 8.799 17.142 ( 2.076 5.754 -2.536) 6.622 17.232 ( 3.313 -2.525 -9.351) 10.237 17.543 ( -0.324 1.671 1.456) 2.240 17.585 ( -1.218 -3.693 4.350) 5.834 17.772 ( 1.125 2.749 -8.026) 8.558 17.848 ( -0.135 -4.714 -6.160) 7.758 19.266 ( 1.366 1.041 2.270) 2.847 19.287 ( -0.582 -1.113 2.317) 2.636 19.477 ( -0.631 3.761 -5.284) 6.516 19.530 ( 0.598 -1.901 -6.788) 7.075 24.080 ( 1.005 7.191 2.058) 7.547 24.166 ( 2.483 5.816 -1.949) 6.617 24.248 ( 0.207 -7.516 2.074) 7.800 24.333 ( 2.448 -8.881 -2.020) 9.431 26.433 ( -5.115 10.490 -0.556) 11.684 26.473 ( 0.421 9.798 -3.450) 10.396 26.814 ( -0.987 -3.840 1.260) 4.161 26.913 ( 5.998 -10.674 -4.625) 13.088 28.370 ( 0.111 1.674 -1.438) 2.210 28.400 ( -0.108 -1.423 -1.870) 2.353 28.453 ( 1.150 1.058 -3.735) 4.049 28.472 ( 1.061 -0.901 -3.853) 4.097 35.826 ( -5.309 10.956 15.795) 19.942 36.061 ( -3.650 -5.957 10.855) 12.909 36.160 ( -1.648 0.847 7.462) 7.688 36.402 ( -1.693 -19.337 3.600) 19.742 39.000 ( -3.187 5.977 14.298) 15.821 39.095 ( -3.850 -3.763 18.783) 19.539 39.814 ( 3.152 20.933 -26.553) 33.959 40.114 ( 3.390 -11.110 -30.713) 32.836 ======================= Grid point 154 (89/111) ======================= q-point: ( 0.11 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 5.733 9.857 13.071) 17.345 1.691 ( 6.412 -6.285 4.423) 10.009 1.764 ( 0.211 6.173 -2.351) 6.608 1.799 ( 0.940 1.237 -7.549) 7.708 2.106 ( 1.240 7.698 10.362) 12.968 2.360 ( 0.681 -14.904 8.153) 17.001 2.578 ( 1.776 4.080 -11.314) 12.158 2.683 ( 0.109 -5.879 -8.189) 10.081 3.192 ( -3.694 4.153 23.881) 24.519 3.303 ( -1.935 -7.332 20.825) 22.163 3.629 ( 0.299 4.943 -1.609) 5.207 3.698 ( 0.778 -2.647 -5.301) 5.976 3.988 ( -0.045 3.131 7.487) 8.116 4.029 ( 0.935 -0.023 11.633) 11.671 4.254 ( 0.010 3.501 -2.914) 4.555 4.315 ( -1.522 -2.172 -2.883) 3.917 4.668 ( 2.304 5.293 9.423) 11.051 4.769 ( 3.512 -4.899 11.691) 13.153 5.161 ( 1.370 6.337 -15.128) 16.459 5.313 ( 2.281 -9.006 -16.471) 18.910 5.905 ( 1.603 -0.218 10.849) 10.969 5.913 ( 1.498 -1.010 9.716) 9.883 6.235 ( -1.319 0.613 -6.795) 6.949 6.265 ( 1.059 -2.290 -3.985) 4.717 6.415 ( -5.307 2.971 2.042) 6.416 6.463 ( -4.559 -1.527 2.786) 5.557 6.684 ( -2.681 6.590 3.053) 7.742 6.751 ( -1.652 0.145 -0.031) 1.658 7.014 ( -1.221 1.135 1.406) 2.181 7.054 ( 0.751 -3.288 2.415) 4.148 7.196 ( -1.543 3.300 -1.385) 3.897 7.263 ( 1.152 -2.826 -0.990) 3.209 7.408 ( -3.077 6.478 6.065) 9.393 7.536 ( -5.491 -7.020 5.114) 10.275 7.548 ( -0.730 6.660 2.627) 7.197 7.666 ( 0.835 -2.373 4.781) 5.403 7.764 ( 0.468 -1.811 7.396) 7.629 7.789 ( 2.079 -5.975 6.335) 8.953 8.028 ( 0.486 -0.299 -3.418) 3.465 8.039 ( -0.247 -1.251 -5.097) 5.254 8.346 ( -1.309 3.053 5.000) 6.003 8.399 ( -0.704 -2.038 4.345) 4.850 8.517 ( 0.210 4.125 -1.473) 4.385 8.576 ( -0.165 -1.909 -0.392) 1.955 8.741 ( 0.391 0.395 -5.413) 5.441 8.768 ( 0.574 -1.800 -5.392) 5.714 8.868 ( 1.213 1.245 -3.252) 3.687 8.916 ( 1.551 -3.363 -5.240) 6.416 9.806 ( -6.119 1.616 5.632) 8.472 9.862 ( -5.848 -4.180 5.553) 9.083 10.052 ( 0.098 3.153 -1.460) 3.476 10.099 ( -0.750 -1.944 -1.824) 2.770 10.448 ( -2.654 3.330 5.358) 6.844 10.497 ( -0.777 -1.717 7.439) 7.674 10.586 ( 1.641 -0.529 4.565) 4.880 10.602 ( 4.021 -2.178 6.361) 7.835 11.383 ( -6.315 2.996 7.771) 10.452 11.442 ( -7.421 -2.967 5.032) 9.444 11.673 ( -4.440 4.636 5.755) 8.621 11.720 ( -4.785 -0.363 6.196) 7.837 12.196 ( -2.310 3.117 2.572) 4.655 12.258 ( -2.413 -3.366 3.444) 5.387 12.574 ( 3.006 7.197 -7.214) 10.624 12.733 ( 7.764 -9.275 -14.507) 18.888 16.813 ( -2.513 3.854 9.044) 10.148 16.889 ( -2.132 -3.930 6.636) 8.001 17.163 ( 1.438 4.687 -2.826) 5.658 17.234 ( 1.783 -1.992 -8.980) 9.369 17.536 ( -1.137 1.575 2.213) 2.945 17.582 ( -1.593 -3.411 4.844) 6.135 17.774 ( 3.178 1.827 -7.878) 8.689 17.830 ( 1.386 -3.683 -5.515) 6.775 19.281 ( 0.084 2.684 1.761) 3.211 19.331 ( 2.736 -2.150 1.845) 3.938 19.429 ( -1.373 5.103 -4.111) 6.696 19.519 ( 1.393 -3.978 -6.161) 7.464 24.092 ( -0.827 7.586 1.740) 7.827 24.208 ( 3.031 8.850 -4.567) 10.410 24.257 ( 0.048 -9.238 1.718) 9.397 24.394 ( 5.514 -10.169 -5.126) 12.652 26.360 ( -2.406 11.463 1.199) 11.774 26.492 ( 2.214 2.248 1.156) 3.361 26.808 ( 0.444 3.956 -1.974) 4.443 27.013 ( 6.763 -12.931 -5.888) 15.735 28.359 ( -0.514 1.332 -1.231) 1.885 28.380 ( -0.918 -0.890 -1.785) 2.196 28.454 ( 0.922 0.773 -3.654) 3.847 28.468 ( 0.635 -0.754 -3.907) 4.029 35.798 ( -5.813 9.774 15.904) 19.551 36.027 ( -6.298 -10.444 13.904) 18.495 36.159 ( -1.885 4.583 5.430) 7.352 36.377 ( -2.968 -14.838 5.042) 15.950 38.960 ( -8.200 8.163 14.295) 18.391 39.093 ( -6.255 -5.202 19.035) 20.701 39.704 ( -1.330 18.460 -21.134) 28.092 39.985 ( -0.537 -10.966 -27.832) 29.919 ======================= Grid point 155 (90/111) ======================= q-point: ( 0.22 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 4.919 8.303 8.819) 13.073 1.776 ( 2.288 3.758 -0.928) 4.496 1.837 ( 6.962 0.217 -4.575) 8.333 1.866 ( 8.497 -5.097 5.095) 11.142 2.181 ( 1.734 8.894 6.781) 11.318 2.400 ( -0.554 -10.731 5.632) 12.131 2.566 ( 3.004 1.129 -10.565) 11.042 2.644 ( 0.233 -5.431 -7.709) 9.433 3.233 ( -5.157 4.661 24.591) 25.554 3.351 ( -4.354 -7.573 21.132) 22.866 3.647 ( 2.588 3.655 -2.275) 5.023 3.704 ( 2.999 -2.605 -6.289) 7.438 3.996 ( -2.509 5.520 4.295) 7.431 4.074 ( -1.498 -1.329 7.510) 7.772 4.182 ( -3.805 1.787 -8.155) 9.175 4.213 ( -4.566 -0.604 -8.176) 9.384 4.810 ( 4.364 6.341 16.048) 17.799 4.933 ( 5.233 -5.928 15.687) 17.567 5.181 ( 7.509 6.672 -11.597) 15.342 5.338 ( 8.197 -9.103 -14.444) 18.938 6.003 ( 2.886 0.304 9.867) 10.285 6.010 ( 3.173 -0.351 10.298) 10.781 6.178 ( -1.654 2.442 -5.305) 6.069 6.247 ( -1.604 -4.047 -4.186) 6.040 6.351 ( -2.489 2.008 5.521) 6.380 6.405 ( -3.177 -2.674 6.073) 7.357 6.618 ( -4.115 6.410 -0.530) 7.636 6.707 ( -3.351 -2.521 0.358) 4.209 7.010 ( -0.025 4.465 1.318) 4.656 7.069 ( -0.849 -0.909 1.960) 2.321 7.162 ( -0.471 2.618 -3.041) 4.040 7.261 ( -0.402 -5.521 -2.650) 6.137 7.371 ( -3.967 2.848 5.474) 7.335 7.437 ( -6.498 -4.220 3.721) 8.595 7.570 ( 1.237 10.691 5.614) 12.138 7.693 ( 0.342 -0.196 1.552) 1.601 7.789 ( -0.706 -1.468 2.827) 3.263 7.856 ( 1.294 -8.378 5.765) 10.252 8.031 ( 1.137 0.229 -0.444) 1.242 8.056 ( 2.543 -2.430 2.134) 4.114 8.330 ( -2.700 3.130 3.902) 5.684 8.391 ( -2.310 -2.768 3.445) 4.986 8.506 ( -0.687 3.728 -0.662) 3.848 8.563 ( -0.577 -1.674 -0.653) 1.887 8.722 ( 0.401 1.187 -4.043) 4.232 8.759 ( 0.988 -2.029 -4.139) 4.714 8.869 ( 0.679 1.825 -4.183) 4.614 8.920 ( 1.566 -3.485 -5.599) 6.779 9.714 ( -6.153 1.768 6.957) 9.455 9.775 ( -5.693 -4.446 6.193) 9.515 10.045 ( -0.066 2.760 -0.334) 2.781 10.079 ( -0.562 -0.894 -0.234) 1.082 10.432 ( -1.879 4.098 5.213) 6.892 10.501 ( -1.534 -3.588 5.635) 6.854 10.706 ( 5.683 0.243 8.547) 10.266 10.737 ( 6.335 -2.535 6.609) 9.499 11.215 ( -10.363 0.990 -1.373) 10.500 11.253 ( -10.032 -2.755 -3.673) 11.033 11.625 ( -7.202 6.185 12.124) 15.399 11.675 ( -6.939 1.077 12.540) 14.372 12.190 ( 0.150 2.900 2.517) 3.842 12.249 ( -0.348 -3.121 3.562) 4.749 12.586 ( 1.992 7.800 -6.726) 10.490 12.768 ( 3.930 -10.944 -14.596) 18.662 16.809 ( -2.426 3.837 8.307) 9.467 16.884 ( -1.831 -3.764 6.478) 7.712 17.167 ( 0.615 3.273 -3.322) 4.704 17.214 ( 0.877 -1.279 -8.499) 8.640 17.531 ( -0.866 1.341 4.029) 4.334 17.576 ( -1.538 -3.247 5.594) 6.649 17.807 ( 4.267 0.971 -7.919) 9.048 17.841 ( 2.486 -2.354 -5.354) 6.355 19.295 ( 0.319 5.398 1.507) 5.613 19.369 ( 0.529 4.424 -3.246) 5.512 19.409 ( 0.898 -1.622 1.338) 2.286 19.522 ( 2.265 -6.629 -5.982) 9.212 24.067 ( -2.620 7.916 2.052) 8.587 24.210 ( -0.981 0.383 -1.371) 1.728 24.285 ( 3.111 0.818 -4.184) 5.277 24.479 ( 6.808 -12.007 -9.461) 16.734 26.352 ( 0.285 13.061 3.037) 13.413 26.566 ( 3.452 -6.121 5.254) 8.774 26.806 ( 1.020 12.373 -4.320) 13.146 27.103 ( 5.626 -15.420 -6.555) 17.674 28.340 ( -0.768 0.765 -1.079) 1.530 28.351 ( -1.091 -0.537 -1.534) 1.957 28.452 ( 0.870 0.644 -3.898) 4.046 28.459 ( 0.571 -0.254 -4.078) 4.125 35.768 ( -5.542 8.332 16.002) 18.874 35.970 ( -7.164 -11.526 15.931) 20.927 36.144 ( -2.112 7.288 3.981) 8.568 36.342 ( -3.689 -11.645 6.668) 13.917 38.854 ( -9.366 10.272 13.301) 19.239 39.046 ( -8.571 -9.029 19.158) 22.848 39.568 ( -2.215 17.365 -17.269) 24.590 39.839 ( -0.684 -10.849 -23.169) 25.592 ======================= Grid point 156 (91/111) ======================= q-point: ( 0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.745 7.720 1.994) 8.008 1.835 ( 3.312 0.114 -1.854) 3.797 1.995 ( 7.476 1.965 2.650) 8.171 2.042 ( 6.726 -2.443 4.560) 8.485 2.227 ( -0.012 7.581 4.077) 8.608 2.401 ( -0.880 -8.677 2.103) 8.972 2.580 ( 3.108 -0.661 -8.936) 9.485 2.622 ( 1.614 -4.029 -7.009) 8.244 3.239 ( -7.262 4.533 25.032) 26.455 3.349 ( -6.811 -6.907 20.911) 23.051 3.696 ( 2.813 2.763 -0.986) 4.065 3.744 ( 3.857 -2.692 -5.126) 6.957 3.940 ( -3.820 5.605 0.141) 6.785 4.029 ( -5.936 -2.839 1.378) 6.723 4.077 ( -1.777 2.624 -7.145) 7.816 4.103 ( -2.718 0.114 -5.255) 5.918 4.957 ( 1.340 6.521 17.435) 18.662 5.089 ( 1.331 -7.018 17.797) 19.177 5.318 ( 12.361 6.850 -11.861) 18.450 5.468 ( 12.126 -8.546 -13.437) 20.016 6.095 ( 1.342 1.451 -1.251) 2.339 6.117 ( -2.516 3.836 10.403) 11.370 6.128 ( 2.836 -1.630 7.681) 8.348 6.188 ( -3.521 -2.916 4.186) 6.199 6.352 ( 0.765 1.744 2.276) 2.967 6.409 ( -0.682 -2.929 4.228) 5.189 6.555 ( -0.717 3.757 -0.851) 3.918 6.638 ( -2.674 -4.561 -1.859) 5.605 7.007 ( -1.643 6.123 -0.510) 6.360 7.045 ( -1.217 2.080 0.881) 2.566 7.146 ( 0.183 -0.098 -3.491) 3.497 7.207 ( -3.076 -5.900 -5.885) 8.883 7.327 ( -3.384 1.148 6.989) 7.849 7.359 ( -3.506 -1.982 5.357) 6.702 7.642 ( 2.574 9.948 5.613) 11.708 7.692 ( -0.206 1.314 -2.540) 2.867 7.770 ( -1.393 0.269 -0.532) 1.516 7.904 ( 0.778 -9.244 6.518) 11.338 8.068 ( 1.131 2.282 4.603) 5.260 8.130 ( 2.571 -3.523 5.559) 7.066 8.286 ( -3.524 2.372 2.992) 5.195 8.345 ( -4.095 -3.276 3.144) 6.114 8.489 ( -0.893 3.922 0.494) 4.052 8.555 ( 0.215 -2.307 -1.047) 2.543 8.711 ( 0.228 2.189 -3.518) 4.150 8.758 ( 0.803 -2.164 -3.510) 4.201 8.859 ( 0.932 2.821 -4.619) 5.492 8.919 ( 1.199 -3.482 -4.912) 6.139 9.650 ( -4.593 2.049 8.998) 10.308 9.714 ( -3.880 -4.453 6.405) 8.712 10.047 ( 0.540 2.393 -0.890) 2.610 10.082 ( 0.747 -1.459 0.715) 1.788 10.423 ( -1.698 4.841 5.287) 7.367 10.510 ( -0.409 -4.877 5.958) 7.710 10.835 ( 0.866 1.772 7.488) 7.743 10.903 ( 6.516 -3.923 6.407) 9.945 11.039 ( -4.608 0.299 -1.257) 4.786 11.056 ( -7.029 -2.208 -4.897) 8.847 11.506 ( -10.183 6.227 9.250) 15.101 11.567 ( -9.561 0.081 8.690) 12.920 12.215 ( 0.234 2.895 4.832) 5.638 12.270 ( -0.432 -2.707 6.176) 6.757 12.589 ( 2.137 7.351 -7.021) 10.387 12.756 ( 2.747 -9.671 -13.333) 16.698 16.806 ( -2.077 4.045 7.857) 9.077 16.887 ( -1.335 -4.122 6.752) 8.023 17.156 ( 0.036 2.147 -3.365) 3.992 17.184 ( 0.320 -0.625 -7.791) 7.822 17.542 ( -0.593 1.204 5.103) 5.276 17.582 ( -0.995 -2.922 6.102) 6.838 17.852 ( 4.352 0.087 -7.856) 8.982 17.866 ( 2.871 -1.275 -5.631) 6.447 19.299 ( -0.879 6.778 1.716) 7.047 19.362 ( 1.583 9.330 -4.864) 10.640 19.434 ( 0.197 -6.115 2.339) 6.550 19.545 ( 3.176 -8.462 -5.957) 10.825 24.021 ( -3.240 8.122 2.813) 9.186 24.176 ( -2.097 -4.330 0.883) 4.891 24.314 ( 2.674 6.696 -7.581) 10.462 24.546 ( 5.673 -13.646 -12.949) 19.649 26.394 ( 1.900 14.299 4.327) 15.059 26.656 ( 2.022 -12.660 6.760) 14.493 26.810 ( 2.097 18.765 -4.610) 19.436 27.157 ( 3.311 -16.956 -6.496) 18.457 28.323 ( -0.301 0.247 -0.965) 1.040 28.327 ( -0.561 -0.265 -1.192) 1.344 28.448 ( 0.895 0.707 -4.318) 4.466 28.451 ( 0.812 0.275 -4.412) 4.494 35.751 ( -4.625 7.462 16.099) 18.337 35.928 ( -5.587 -10.610 17.162) 20.936 36.119 ( -2.297 8.080 3.338) 9.039 36.302 ( -3.981 -9.993 6.860) 12.758 38.755 ( -7.514 10.249 12.830) 18.058 38.967 ( -8.993 -11.057 17.710) 22.733 39.459 ( -0.159 17.552 -15.369) 23.330 39.736 ( 1.478 -11.242 -19.975) 22.969 ======================= Grid point 157 (92/111) ======================= q-point: (-0.56 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -2.195 8.131 2.504) 8.787 1.855 ( -0.658 -2.087 -1.820) 2.846 2.091 ( 0.356 3.786 5.137) 6.391 2.164 ( 2.747 -2.713 4.531) 5.953 2.227 ( -0.207 7.562 -1.116) 7.647 2.402 ( 0.200 -10.159 0.626) 10.180 2.590 ( 2.751 1.152 -8.375) 8.890 2.638 ( 3.089 -3.411 -5.330) 7.042 3.214 ( -8.412 3.590 25.719) 27.297 3.303 ( -8.827 -5.491 20.828) 23.278 3.715 ( -2.047 3.565 2.169) 4.647 3.772 ( -0.470 -2.644 -1.586) 3.118 3.891 ( 0.239 2.690 -2.161) 3.458 3.929 ( -2.790 -0.414 -1.432) 3.163 4.028 ( 0.001 1.543 -5.211) 5.435 4.044 ( -1.165 0.079 -4.051) 4.215 5.022 ( -3.486 6.044 15.992) 17.448 5.149 ( -4.148 -7.010 16.348) 18.265 5.509 ( 13.214 6.143 -13.055) 19.565 5.642 ( 12.299 -7.539 -13.319) 19.634 6.052 ( -3.296 3.369 4.550) 6.552 6.098 ( -5.361 0.303 7.067) 8.875 6.174 ( -2.568 0.607 7.178) 7.648 6.217 ( 0.937 -3.330 7.051) 7.854 6.402 ( 0.305 1.477 0.770) 1.694 6.417 ( 5.084 -0.676 -0.391) 5.143 6.589 ( 2.654 0.249 3.137) 4.117 6.635 ( 4.453 -4.714 -2.957) 7.127 6.944 ( -3.173 5.493 -2.387) 6.778 7.028 ( -2.144 -1.232 -0.740) 2.581 7.115 ( -0.621 0.169 -6.471) 6.503 7.134 ( -0.641 -0.780 -3.356) 3.505 7.313 ( -2.307 1.109 8.378) 8.761 7.339 ( -2.140 -1.411 6.280) 6.783 7.644 ( -1.730 3.171 -4.128) 5.485 7.685 ( -0.104 -0.941 -5.779) 5.856 7.788 ( 2.151 7.223 9.142) 11.848 7.955 ( 0.498 -8.532 8.307) 11.919 8.095 ( -1.156 4.478 2.607) 5.309 8.195 ( 0.488 -5.013 2.456) 5.604 8.228 ( -3.720 2.673 5.268) 6.981 8.284 ( -3.735 -2.967 6.959) 8.436 8.481 ( -0.290 4.113 1.007) 4.244 8.557 ( 0.352 -3.051 -0.823) 3.179 8.690 ( -0.335 3.353 -3.994) 5.226 8.754 ( 0.808 -2.930 -4.246) 5.222 8.865 ( 1.866 3.219 -4.144) 5.569 8.923 ( 1.660 -2.856 -3.934) 5.137 9.631 ( -2.397 2.016 10.023) 10.500 9.694 ( -1.503 -4.483 6.083) 7.704 10.060 ( 1.178 2.127 -0.692) 2.528 10.098 ( 0.321 -2.024 -0.345) 2.078 10.434 ( -0.067 5.948 7.177) 9.321 10.545 ( 0.422 -5.923 6.742) 8.984 10.755 ( -6.807 2.278 -0.589) 7.202 10.849 ( -8.232 -6.386 -2.540) 10.724 11.103 ( 6.528 1.090 6.199) 9.069 11.119 ( 6.961 -0.464 7.269) 10.075 11.353 ( -8.597 5.356 4.762) 11.193 11.419 ( -7.975 -1.259 3.330) 8.734 12.239 ( -1.051 2.445 7.058) 7.543 12.285 ( -1.834 -2.272 7.867) 8.392 12.597 ( 2.665 7.663 -8.000) 11.394 12.756 ( 4.416 -8.625 -12.861) 16.102 16.809 ( -1.825 4.475 7.891) 9.254 16.899 ( -1.072 -4.705 6.979) 8.485 17.137 ( -0.355 1.467 -3.048) 3.401 17.152 ( 0.540 0.010 -7.037) 7.058 17.553 ( -1.096 1.305 5.092) 5.370 17.594 ( -1.119 -2.852 6.000) 6.737 17.890 ( 3.638 -0.353 -8.417) 9.177 17.894 ( 3.138 -0.720 -5.569) 6.433 19.284 ( -1.338 7.595 1.354) 7.830 19.378 ( 2.408 9.886 -4.869) 11.280 19.440 ( -0.656 -6.943 1.935) 7.237 19.577 ( 3.196 -9.174 -6.033) 11.436 23.979 ( -2.663 8.240 3.874) 9.486 24.146 ( -1.841 -6.940 2.935) 7.756 24.307 ( 1.033 9.651 -8.902) 13.170 24.559 ( 2.870 -14.290 -14.242) 20.378 26.462 ( 2.541 14.673 5.022) 15.716 26.690 ( -0.554 -1.590 1.358) 2.163 26.849 ( 2.551 7.540 1.016) 8.024 27.161 ( 0.549 -17.371 -6.926) 18.709 28.319 ( 0.277 0.056 -0.847) 0.893 28.321 ( 0.568 -0.156 -1.004) 1.164 28.443 ( 1.005 0.880 -4.692) 4.878 28.446 ( 1.079 0.493 -4.826) 4.969 35.755 ( -3.484 7.683 16.168) 18.237 35.934 ( -2.992 -10.648 17.526) 20.724 36.093 ( -2.016 7.798 3.175) 8.657 36.262 ( -3.371 -9.055 6.016) 11.382 38.701 ( -4.775 9.272 13.034) 16.692 38.893 ( -7.078 -9.812 15.523) 19.681 39.415 ( 3.500 17.444 -14.236) 22.786 39.701 ( 5.484 -12.167 -19.285) 23.453 ======================= Grid point 158 (93/111) ======================= q-point: (-0.44 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -5.796 6.923 5.630) 10.640 1.794 ( -5.131 -2.461 2.187) 6.097 2.087 ( -3.308 5.127 6.736) 9.088 2.164 ( -2.192 0.559 0.308) 2.283 2.230 ( 0.314 5.249 -4.748) 7.085 2.396 ( -1.758 -10.608 1.678) 10.883 2.604 ( 2.658 2.319 -7.404) 8.201 2.679 ( 3.523 -4.668 -4.177) 7.187 3.186 ( -7.872 1.673 25.871) 27.093 3.232 ( -9.135 -2.990 20.985) 23.081 3.647 ( -5.839 3.182 5.404) 8.569 3.701 ( -6.234 -1.928 4.094) 7.703 3.901 ( 0.635 1.858 -2.645) 3.294 3.926 ( 2.083 -0.598 -1.464) 2.615 4.006 ( 0.655 2.626 -4.041) 4.863 4.043 ( 2.619 -0.836 -3.768) 4.664 4.991 ( -6.880 5.156 12.567) 15.227 5.101 ( -8.270 -6.275 13.201) 16.794 5.664 ( 9.614 5.514 -14.940) 18.602 5.783 ( 8.872 -6.497 -13.501) 17.412 6.000 ( -6.682 1.590 7.012) 9.816 6.017 ( -6.058 0.535 6.941) 9.228 6.152 ( -1.444 2.707 5.655) 6.433 6.250 ( 0.087 -6.637 7.171) 9.771 6.449 ( 4.706 4.817 -3.650) 7.660 6.532 ( 6.532 -3.419 -0.584) 7.396 6.686 ( 4.884 1.129 1.300) 5.178 6.726 ( 4.773 -3.317 -1.299) 5.956 6.875 ( -2.224 3.476 -1.156) 4.286 6.945 ( -3.889 -3.404 -4.906) 7.126 7.103 ( 0.877 2.452 -2.536) 3.635 7.122 ( 1.351 0.536 -3.647) 3.926 7.321 ( -1.611 1.143 9.727) 9.925 7.340 ( -1.266 -0.901 8.069) 8.218 7.588 ( -1.493 3.471 -4.060) 5.547 7.645 ( -0.177 -2.168 -6.259) 6.627 7.891 ( 2.661 4.245 10.160) 11.328 7.981 ( -3.066 -3.416 4.123) 6.170 8.055 ( -2.164 1.177 2.893) 3.799 8.103 ( -6.171 -2.197 -1.596) 6.742 8.265 ( 0.230 0.562 9.790) 9.809 8.287 ( -1.214 -1.308 9.644) 9.808 8.485 ( 0.157 3.748 0.308) 3.764 8.559 ( 0.227 -3.307 -0.916) 3.439 8.665 ( 0.155 3.760 -4.491) 5.859 8.747 ( 1.152 -4.265 -5.513) 7.065 8.883 ( 1.987 3.547 -3.726) 5.515 8.941 ( 1.989 -2.248 -3.335) 4.487 9.657 ( -0.011 1.987 8.975) 9.192 9.718 ( 0.900 -4.430 5.339) 6.996 10.080 ( 0.617 0.814 -0.712) 1.245 10.091 ( 0.108 -0.502 -1.023) 1.145 10.494 ( 0.998 4.280 8.754) 9.796 10.545 ( -3.607 0.153 3.445) 4.990 10.686 ( -6.131 -4.530 0.305) 7.630 10.697 ( 0.115 -5.219 4.688) 7.016 11.167 ( -6.668 1.446 6.127) 9.170 11.181 ( -5.995 -0.257 5.932) 8.438 11.342 ( 8.251 5.452 3.343) 10.439 11.414 ( 8.500 -2.110 1.762) 8.933 12.238 ( -2.956 1.814 7.618) 8.370 12.277 ( -2.919 -2.134 7.269) 8.118 12.615 ( 3.534 8.943 -8.358) 12.741 12.789 ( 5.394 -8.969 -13.672) 17.218 16.814 ( -1.943 4.873 8.225) 9.756 16.912 ( -1.341 -5.144 7.028) 8.812 17.112 ( -0.279 2.177 -3.583) 4.202 17.139 ( 1.436 -0.405 -5.996) 6.179 17.548 ( -1.930 1.663 4.557) 5.221 17.597 ( -1.573 -3.274 5.361) 6.476 17.906 ( 2.532 0.452 -8.608) 8.984 17.923 ( 2.865 -1.187 -6.172) 6.908 19.264 ( -1.372 7.595 1.104) 7.797 19.395 ( 0.922 3.347 -3.017) 4.599 19.436 ( 0.363 -0.922 -0.272) 1.028 19.605 ( 2.802 -9.013 -6.292) 11.343 23.961 ( -1.471 8.285 4.795) 9.685 24.137 ( -1.224 -9.020 5.073) 10.420 24.268 ( -0.177 11.060 -8.839) 14.159 24.516 ( -0.041 -13.620 -12.799) 18.690 26.536 ( 2.260 14.372 5.229) 15.460 26.664 ( -1.328 11.480 -3.611) 12.107 26.896 ( 0.280 -5.421 5.169) 7.496 27.107 ( -2.083 -16.968 -8.394) 19.045 28.327 ( 0.922 0.365 -0.948) 1.372 28.335 ( 1.339 -0.487 -1.012) 1.748 28.440 ( 1.252 0.835 -4.904) 5.130 28.443 ( 1.263 0.516 -5.011) 5.193 35.778 ( -2.689 8.850 16.118) 18.584 35.981 ( -1.225 -11.060 15.547) 19.119 36.080 ( -1.150 6.245 4.328) 7.685 36.242 ( -1.402 -9.268 5.353) 10.794 38.705 ( -1.877 8.124 13.698) 16.036 38.860 ( -4.103 -7.074 14.024) 16.234 39.453 ( 7.963 17.843 -14.557) 24.366 39.754 ( 10.394 -13.147 -20.327) 26.345 ======================= Grid point 159 (94/111) ======================= q-point: (-0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -8.849 6.789 9.709) 14.787 1.710 ( -5.115 -2.907 5.251) 7.886 2.045 ( -5.034 7.309 8.592) 12.352 2.116 ( -1.694 3.938 -4.730) 6.383 2.162 ( -4.432 3.866 -4.828) 7.609 2.354 ( -3.999 -13.476 4.642) 14.804 2.611 ( 1.820 3.729 -6.931) 8.078 2.723 ( 3.353 -6.650 -5.525) 9.274 3.159 ( -8.516 0.957 23.273) 24.801 3.189 ( -6.175 -1.875 22.001) 22.928 3.584 ( -3.879 1.794 9.017) 9.979 3.614 ( -5.505 -1.147 9.234) 10.812 3.889 ( -0.147 3.690 -3.474) 5.070 3.947 ( 0.138 -1.897 1.383) 2.351 4.020 ( 2.212 3.881 -3.326) 5.570 4.082 ( 2.382 -1.831 -0.841) 3.120 4.901 ( -7.405 3.513 7.964) 11.428 4.981 ( -9.867 -4.882 9.990) 14.866 5.711 ( 3.654 5.880 -17.631) 18.941 5.835 ( 3.475 -6.138 -12.347) 14.219 5.895 ( -6.375 -0.127 4.642) 7.887 5.911 ( -8.013 -1.971 6.303) 10.384 6.205 ( 2.987 5.274 6.786) 9.099 6.318 ( 2.759 -5.679 7.807) 10.041 6.504 ( 2.065 5.612 -5.229) 7.944 6.617 ( 1.237 -5.255 -3.369) 6.363 6.712 ( 1.165 3.296 -8.235) 8.946 6.778 ( 2.740 -2.202 -4.235) 5.504 6.880 ( 0.191 1.185 -0.124) 1.206 6.927 ( 5.079 -2.766 6.343) 8.584 7.111 ( 1.348 2.668 -2.627) 3.980 7.140 ( 1.538 -0.338 -1.942) 2.501 7.350 ( -0.877 1.362 11.200) 11.316 7.375 ( -0.017 -1.353 9.995) 10.087 7.551 ( -0.778 3.802 -1.949) 4.343 7.620 ( 0.385 -2.963 -5.134) 5.940 7.881 ( -5.634 3.048 -2.355) 6.825 7.941 ( -5.929 -2.919 2.797) 7.176 7.998 ( 0.491 3.450 5.256) 6.307 8.080 ( -0.465 -4.812 8.020) 9.364 8.308 ( -0.963 1.431 7.128) 7.334 8.319 ( 0.133 0.087 9.024) 9.026 8.490 ( 0.737 3.171 -1.171) 3.459 8.552 ( -0.443 -2.657 -0.981) 2.866 8.658 ( 1.455 2.698 -4.079) 5.102 8.745 ( 1.832 -5.206 -6.401) 8.452 8.899 ( 1.541 4.087 -3.708) 5.730 8.961 ( 1.743 -2.080 -3.324) 4.291 9.714 ( 1.600 1.882 6.432) 6.890 9.773 ( 2.025 -4.426 4.417) 6.573 10.067 ( -0.281 2.378 -1.747) 2.964 10.107 ( 1.094 -1.748 -1.081) 2.328 10.453 ( -3.898 2.139 2.449) 5.076 10.523 ( -4.639 -5.220 3.203) 7.683 10.674 ( 3.713 3.406 11.756) 12.790 10.785 ( 2.744 -7.071 9.707) 12.319 11.047 ( -6.959 1.479 2.653) 7.593 11.074 ( -5.440 -1.506 1.125) 5.756 11.570 ( 11.850 6.042 5.769) 14.499 11.629 ( 10.590 -0.372 4.220) 11.406 12.209 ( -3.548 1.792 6.556) 7.667 12.253 ( -2.742 -2.414 5.573) 6.664 12.638 ( 2.723 8.149 -8.038) 11.766 12.799 ( 2.561 -8.361 -15.226) 17.559 16.816 ( -2.321 4.972 8.724) 10.306 16.917 ( -1.949 -5.273 7.097) 9.054 17.095 ( 0.422 3.542 -3.373) 4.909 17.145 ( 2.581 -1.209 -6.703) 7.284 17.531 ( -1.865 1.979 4.018) 4.852 17.591 ( -1.578 -4.079 4.511) 6.283 17.897 ( 1.097 1.859 -8.933) 9.190 17.937 ( 1.859 -2.112 -6.671) 7.240 19.244 ( -1.195 6.694 1.230) 6.911 19.375 ( -1.904 -5.143 0.539) 5.511 19.457 ( 2.508 7.067 -4.022) 8.509 19.618 ( 1.866 -7.880 -6.724) 10.525 23.970 ( -0.245 8.145 5.098) 9.612 24.146 ( -1.268 -9.912 6.861) 12.122 24.222 ( 0.134 10.468 -7.938) 13.138 24.439 ( -1.764 -11.959 -9.307) 15.256 26.594 ( 0.553 14.583 4.630) 15.310 26.611 ( -1.136 17.154 -5.552) 18.066 26.907 ( -2.219 -11.298 6.335) 13.142 27.001 ( -3.773 -16.168 -10.116) 19.441 28.343 ( 1.267 0.847 -1.381) 2.056 28.359 ( 1.700 -0.932 -1.117) 2.237 28.440 ( 1.391 0.721 -5.119) 5.354 28.446 ( 1.543 0.208 -4.558) 4.816 35.809 ( -2.658 10.213 15.884) 19.070 36.025 ( -1.037 -6.000 9.578) 11.350 36.096 ( -0.628 0.803 7.789) 7.855 36.272 ( 1.495 -12.992 5.945) 14.366 38.766 ( 0.669 6.742 14.127) 15.667 38.880 ( -1.201 -4.490 14.093) 14.840 39.568 ( 12.092 19.372 -17.244) 28.616 39.886 ( 14.220 -13.461 -22.850) 30.092 ======================= Grid point 160 (95/111) ======================= q-point: (-0.22 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -8.503 9.604 11.768) 17.408 1.646 ( -4.418 -3.776 4.783) 7.526 1.975 ( -6.493 8.359 6.836) 12.600 2.039 ( -4.927 3.625 -4.187) 7.412 2.053 ( -2.836 4.786 -2.143) 5.962 2.308 ( -3.532 -16.431 7.620) 18.453 2.608 ( 1.916 5.084 -7.944) 9.624 2.747 ( 2.572 -8.096 -7.770) 11.513 3.121 ( -7.180 2.171 22.949) 24.144 3.184 ( -5.601 -3.840 19.963) 21.087 3.587 ( -1.768 2.217 11.805) 12.140 3.611 ( -0.638 -0.136 13.553) 13.568 3.861 ( -0.996 5.039 -2.927) 5.912 3.951 ( -0.992 -3.458 3.279) 4.867 4.049 ( 2.296 5.156 -1.278) 5.787 4.129 ( 2.198 -2.476 2.819) 4.349 4.798 ( -6.141 1.320 3.469) 7.176 4.841 ( -8.838 -3.379 7.517) 12.084 5.625 ( -2.252 6.152 -19.844) 20.898 5.760 ( -4.224 -7.428 -14.014) 16.414 5.824 ( -3.738 -0.528 8.099) 8.936 5.838 ( -2.462 -1.932 4.248) 5.276 6.296 ( 2.142 6.180 4.875) 8.158 6.400 ( 0.803 -4.068 4.027) 5.780 6.478 ( -0.004 4.846 -3.521) 5.990 6.565 ( -2.201 -3.834 -3.131) 5.418 6.709 ( 1.929 3.262 -8.035) 8.884 6.803 ( 2.675 -5.699 -7.655) 9.911 6.936 ( 2.703 6.926 4.510) 8.696 7.050 ( 3.282 -4.290 5.056) 7.399 7.129 ( 1.769 1.495 -2.203) 3.196 7.161 ( 1.716 -1.532 0.270) 2.316 7.402 ( 0.322 1.547 11.465) 11.573 7.431 ( 0.318 -1.361 10.202) 10.297 7.540 ( -0.054 2.843 1.271) 3.115 7.601 ( -0.334 -2.824 -2.717) 3.933 7.773 ( -4.329 2.551 -1.626) 5.281 7.821 ( -6.400 -2.569 2.963) 7.506 8.049 ( 1.305 2.000 2.789) 3.672 8.109 ( -0.048 -3.719 5.030) 6.256 8.317 ( -1.331 2.712 5.800) 6.540 8.358 ( -0.449 -1.137 6.101) 6.223 8.502 ( 1.520 2.794 -3.137) 4.468 8.540 ( -0.275 -1.397 0.192) 1.437 8.676 ( 2.217 1.651 -3.139) 4.182 8.754 ( 2.400 -5.201 -6.290) 8.507 8.903 ( 0.912 4.104 -4.073) 5.854 8.969 ( 0.891 -2.431 -3.924) 4.701 9.779 ( 2.286 1.616 4.553) 5.345 9.836 ( 2.138 -4.405 4.308) 6.522 10.057 ( 0.451 3.428 -2.790) 4.443 10.114 ( 0.728 -2.536 -2.813) 3.857 10.418 ( -1.843 2.564 4.844) 5.782 10.466 ( -3.043 -3.414 5.538) 7.182 10.795 ( -1.340 -0.981 9.250) 9.398 10.832 ( -4.241 -3.944 5.680) 8.112 10.986 ( 2.126 1.465 5.894) 6.435 11.035 ( 1.825 -3.684 5.904) 7.195 11.804 ( 7.265 5.474 4.132) 9.991 11.857 ( 10.934 1.167 6.573) 12.811 12.182 ( -1.610 2.413 4.286) 5.175 12.241 ( -0.543 -2.693 3.675) 4.589 12.624 ( -0.198 4.645 -7.810) 9.089 12.718 ( -2.756 -5.024 -15.554) 16.576 16.814 ( -2.587 4.746 9.276) 10.736 16.911 ( -2.350 -5.187 7.383) 9.324 17.095 ( 1.323 4.925 -3.064) 5.949 17.169 ( 3.757 -1.887 -8.127) 9.150 17.523 ( -0.833 1.910 3.477) 4.053 17.586 ( -1.112 -4.711 3.903) 6.218 17.860 ( -0.158 3.132 -8.863) 9.402 17.925 ( 0.509 -3.365 -7.036) 7.816 19.232 ( -0.754 5.256 1.652) 5.561 19.338 ( -2.437 -5.254 1.775) 6.057 19.482 ( 2.419 6.708 -5.225) 8.840 19.606 ( 0.520 -5.724 -7.170) 9.189 24.000 ( 0.734 7.709 4.531) 8.971 24.146 ( -1.528 -2.300 3.726) 4.638 24.208 ( 1.289 1.222 -2.710) 3.241 24.365 ( -1.854 -10.057 -5.203) 11.474 26.548 ( -1.075 18.923 -7.109) 20.243 26.616 ( -1.924 14.410 4.289) 15.157 26.879 ( -3.384 -13.070 3.625) 13.979 26.882 ( -2.597 -14.844 -7.740) 16.941 28.359 ( 1.204 1.361 -1.723) 2.504 28.385 ( 1.542 -1.352 -1.352) 2.456 28.443 ( 1.472 0.865 -4.801) 5.095 28.455 ( 1.697 -0.396 -4.154) 4.505 35.833 ( -3.304 11.090 15.663) 19.474 36.047 ( -0.971 -2.321 7.378) 7.796 36.123 ( -0.851 -1.347 8.410) 8.560 36.343 ( 2.197 -18.841 5.683) 19.802 38.861 ( 1.600 5.638 13.390) 14.616 38.953 ( 0.498 -3.478 16.250) 16.625 39.722 ( 13.551 21.233 -22.489) 33.767 40.045 ( 14.473 -12.715 -26.658) 32.891 ======================= Grid point 161 (96/111) ======================= q-point: (-0.11 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -6.121 12.036 12.069) 18.110 1.593 ( -2.814 -4.038 3.608) 6.103 1.873 ( -5.209 7.003 -0.113) 8.728 1.936 ( -2.833 0.077 -6.913) 7.471 2.014 ( -2.897 8.700 9.442) 13.162 2.297 ( -2.227 -17.192 9.113) 19.585 2.605 ( 2.377 5.167 -9.446) 11.027 2.743 ( 1.467 -8.098 -8.879) 12.107 3.119 ( -5.255 2.430 22.863) 23.585 3.187 ( -4.042 -4.348 19.343) 20.233 3.626 ( -0.816 4.819 10.880) 11.927 3.689 ( 1.231 -1.991 9.046) 9.344 3.840 ( 0.138 5.373 2.770) 6.047 3.942 ( -1.668 -4.967 4.669) 7.018 4.111 ( 4.024 6.477 2.112) 7.912 4.198 ( 2.595 -2.243 6.012) 6.922 4.707 ( -4.182 0.132 0.511) 4.215 4.733 ( -5.551 -2.629 6.150) 8.692 5.453 ( -4.528 5.940 -19.734) 21.100 5.587 ( -5.150 -7.805 -16.843) 19.264 5.813 ( -1.835 -0.375 8.490) 8.694 5.829 ( -1.217 -1.917 6.028) 6.442 6.303 ( -1.710 4.248 -0.419) 4.599 6.373 ( -2.543 -3.141 -2.373) 4.686 6.503 ( 1.672 3.946 -0.278) 4.294 6.549 ( 0.542 -0.611 -0.230) 0.848 6.693 ( 0.037 4.396 -4.784) 6.497 6.801 ( 0.091 -4.977 -2.590) 5.611 6.989 ( 0.782 5.080 2.804) 5.855 7.081 ( -1.132 -3.572 1.663) 4.100 7.165 ( 3.076 2.061 -0.642) 3.757 7.210 ( 1.589 -1.797 1.925) 3.076 7.471 ( -0.876 2.138 9.346) 9.627 7.482 ( 1.445 -0.408 7.107) 7.264 7.562 ( 0.913 -0.829 3.914) 4.104 7.585 ( -1.258 -2.066 4.088) 4.750 7.710 ( -1.906 0.412 1.149) 2.263 7.738 ( -3.671 -3.070 3.834) 6.132 8.071 ( 0.709 1.915 -2.158) 2.971 8.119 ( -0.392 -2.604 -0.869) 2.773 8.321 ( -1.087 2.500 5.631) 6.257 8.367 ( -0.968 -1.756 4.900) 5.294 8.515 ( 1.202 2.830 -2.668) 4.071 8.546 ( 0.845 -0.823 -0.061) 1.181 8.709 ( 2.765 1.269 -3.097) 4.341 8.771 ( 2.507 -4.324 -6.017) 7.822 8.892 ( 0.121 3.246 -4.273) 5.367 8.954 ( -0.205 -2.937 -4.553) 5.422 9.843 ( 1.530 1.439 4.825) 5.262 9.895 ( 1.149 -4.110 5.292) 6.798 10.054 ( 0.913 3.575 -4.064) 5.489 10.113 ( 1.164 -2.614 -4.102) 5.001 10.418 ( -1.471 3.003 6.566) 7.369 10.461 ( -0.964 -2.092 7.343) 7.696 10.708 ( -8.376 -1.410 0.805) 8.532 10.714 ( -6.907 -2.151 2.138) 7.543 11.155 ( 6.262 0.160 13.351) 14.748 11.191 ( 8.025 -4.144 13.169) 15.969 11.871 ( -1.582 7.815 1.321) 8.083 12.004 ( -1.790 -5.979 4.302) 7.581 12.232 ( 5.146 3.042 1.622) 6.194 12.272 ( 1.481 -0.895 2.520) 3.057 12.567 ( -1.108 1.030 -7.160) 7.319 12.575 ( -1.539 0.326 -13.133) 13.227 16.812 ( -2.542 4.382 9.634) 10.885 16.903 ( -2.371 -4.950 7.580) 9.359 17.114 ( 2.066 5.819 -2.720) 6.747 17.204 ( 4.255 -2.392 -9.197) 10.412 17.533 ( 0.071 1.711 2.615) 3.126 17.586 ( -0.963 -4.551 3.721) 5.957 17.808 ( -0.351 3.461 -8.458) 9.146 17.889 ( -0.446 -4.486 -6.858) 8.207 19.236 ( 0.272 3.403 2.128) 4.023 19.304 ( -2.074 -3.528 2.361) 4.725 19.494 ( 1.567 4.690 -5.655) 7.512 19.568 ( -0.423 -3.001 -7.246) 7.854 24.041 ( 1.367 7.201 3.268) 8.025 24.142 ( 0.330 3.104 0.445) 3.153 24.228 ( 0.876 -5.116 1.160) 5.318 24.323 ( -0.355 -8.783 -2.184) 9.058 26.499 ( -0.392 16.174 -6.642) 17.489 26.549 ( -5.793 11.494 0.244) 12.873 26.838 ( -2.721 -9.980 3.744) 11.001 26.847 ( 2.687 -11.557 -5.127) 12.925 28.370 ( 0.732 1.675 -1.690) 2.490 28.402 ( 0.881 -1.645 -1.678) 2.510 28.448 ( 1.401 1.121 -4.196) 4.563 28.467 ( 1.531 -0.782 -3.920) 4.281 35.839 ( -4.311 11.372 15.672) 19.837 36.062 ( -1.676 -2.612 8.322) 8.882 36.147 ( -1.170 -0.990 8.327) 8.467 36.396 ( 0.440 -21.470 4.107) 21.864 38.951 ( 0.472 5.587 13.238) 14.376 39.044 ( -0.705 -3.953 18.294) 18.730 39.828 ( 9.838 21.998 -27.328) 36.435 40.142 ( 9.954 -11.600 -30.101) 33.760 ======================= Grid point 180 (97/111) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.081 0.000 -9.049) 9.049 1.472 ( 0.081 0.000 9.049) 9.049 1.513 ( -0.944 0.000 -16.384) 16.412 1.513 ( 0.944 0.000 16.384) 16.412 2.376 ( 0.728 0.000 -9.667) 9.695 2.376 ( -0.728 0.000 9.667) 9.695 2.791 ( -0.943 0.000 -0.761) 1.212 2.791 ( 0.943 0.000 0.761) 1.212 3.445 ( 2.776 0.000 -8.561) 9.000 3.445 ( -2.776 0.000 8.561) 9.000 3.748 ( 1.738 0.000 -7.242) 7.448 3.748 ( -1.738 0.000 7.242) 7.448 3.803 ( -1.850 0.000 -12.712) 12.846 3.803 ( 1.850 0.000 12.712) 12.846 4.312 ( -2.411 0.000 -10.537) 10.809 4.312 ( 2.411 0.000 10.537) 10.809 4.666 ( -0.557 0.000 -13.337) 13.348 4.666 ( 0.557 0.000 13.337) 13.348 5.252 ( 0.440 0.000 -18.030) 18.035 5.252 ( -0.440 0.000 18.030) 18.035 6.036 ( 0.033 0.000 -1.039) 1.040 6.036 ( -0.033 0.000 1.039) 1.040 6.326 ( 2.717 0.000 -4.188) 4.992 6.326 ( -2.717 0.000 4.188) 4.992 6.363 ( -1.643 0.000 -5.476) 5.717 6.363 ( 1.643 0.000 5.476) 5.717 6.552 ( -2.959 0.000 -0.252) 2.970 6.552 ( 2.959 0.000 0.252) 2.970 7.133 ( 3.947 0.000 -2.544) 4.695 7.133 ( -3.947 0.000 2.544) 4.695 7.218 ( -3.920 0.000 0.080) 3.921 7.218 ( 3.920 0.000 -0.080) 3.921 7.396 ( -2.690 0.000 -1.314) 2.994 7.396 ( 2.690 0.000 1.314) 2.994 7.796 ( 2.241 0.000 -4.999) 5.479 7.796 ( -2.241 0.000 4.999) 5.479 7.885 ( -5.164 0.000 -0.086) 5.164 7.885 ( 5.164 0.000 0.086) 5.164 8.046 ( -1.809 0.000 -1.655) 2.451 8.046 ( 1.809 0.000 1.655) 2.451 8.400 ( -0.580 0.000 -1.025) 1.178 8.400 ( 0.580 0.000 1.025) 1.178 8.506 ( 3.868 0.000 -10.368) 11.066 8.506 ( -3.868 0.000 10.368) 11.066 8.707 ( 0.511 0.000 -3.117) 3.158 8.707 ( -0.511 0.000 3.117) 3.158 8.925 ( 0.462 0.000 -3.828) 3.856 8.925 ( -0.462 0.000 3.828) 3.856 9.893 ( -0.185 0.000 -1.923) 1.932 9.893 ( 0.185 0.000 1.923) 1.932 10.127 ( 3.699 0.000 -3.935) 5.401 10.127 ( -3.699 0.000 3.935) 5.401 10.497 ( -9.842 0.000 -4.283) 10.734 10.497 ( 9.842 0.000 4.283) 10.734 10.681 ( -2.927 0.000 -4.610) 5.461 10.681 ( 2.927 0.000 4.610) 5.461 11.477 ( -1.428 0.000 -8.904) 9.018 11.477 ( 1.428 0.000 8.904) 9.018 11.775 ( -3.668 0.000 -11.496) 12.067 11.775 ( 3.668 0.000 11.496) 12.067 12.335 ( 13.747 0.000 -6.703) 15.294 12.335 ( -13.747 0.000 6.703) 15.294 12.443 ( 3.955 0.000 -3.034) 4.985 12.443 ( -3.955 0.000 3.034) 4.985 16.956 ( 3.257 0.000 -12.070) 12.501 16.956 ( -3.257 0.000 12.070) 12.501 17.034 ( -2.569 0.000 0.049) 2.570 17.034 ( 2.569 0.000 -0.049) 2.570 17.567 ( 0.419 0.000 -5.988) 6.003 17.567 ( -0.419 0.000 5.988) 6.003 17.888 ( 1.471 0.000 -4.565) 4.797 17.888 ( -1.471 0.000 4.565) 4.797 19.279 ( -3.179 0.000 -2.283) 3.914 19.279 ( 3.179 0.000 2.283) 3.914 19.428 ( 2.385 0.000 -5.840) 6.308 19.428 ( -2.385 0.000 5.840) 6.308 23.975 ( -0.280 0.000 -2.514) 2.530 23.975 ( 0.280 0.000 2.514) 2.530 24.534 ( 0.804 0.000 -2.908) 3.017 24.534 ( -0.804 0.000 2.908) 3.017 26.098 ( -4.281 0.000 -2.368) 4.892 26.098 ( 4.281 0.000 2.368) 4.892 27.053 ( 6.263 0.000 -4.398) 7.653 27.053 ( -6.263 0.000 4.398) 7.653 28.344 ( 0.514 0.000 -2.530) 2.582 28.344 ( -0.514 0.000 2.530) 2.582 28.442 ( 0.634 0.000 -1.074) 1.247 28.442 ( -0.634 0.000 1.074) 1.247 35.853 ( 2.466 0.000 -7.661) 8.049 35.853 ( -2.466 0.000 7.661) 8.049 36.855 ( -1.193 0.000 -21.264) 21.298 36.855 ( 1.193 0.000 21.264) 21.298 38.900 ( -4.336 0.000 1.199) 4.499 38.900 ( 4.336 0.000 -1.199) 4.499 39.713 ( 2.601 0.000 -29.069) 29.185 39.713 ( -2.601 0.000 29.069) 29.185 ======================= Grid point 182 (98/111) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 3.448 0.000 -8.244) 8.936 1.479 ( 5.692 0.000 -15.486) 16.499 1.548 ( 3.028 0.000 8.137) 8.682 1.665 ( 6.607 0.000 11.753) 13.483 2.349 ( 2.179 0.000 -11.053) 11.266 2.408 ( -0.988 0.000 8.602) 8.659 2.766 ( -1.329 0.000 0.297) 1.361 2.802 ( -0.741 0.000 2.209) 2.330 3.456 ( -0.807 0.000 8.324) 8.363 3.485 ( 5.670 0.000 -7.419) 9.337 3.675 ( -1.126 0.000 -15.552) 15.593 3.738 ( -0.969 0.000 0.918) 1.335 3.770 ( 2.339 0.000 -7.587) 7.939 3.876 ( -1.980 0.000 10.384) 10.571 4.165 ( -4.961 0.000 -11.953) 12.942 4.317 ( -3.826 0.000 -0.305) 3.838 4.678 ( 5.977 0.000 -4.979) 7.779 4.807 ( 5.639 0.000 15.110) 16.128 5.224 ( 4.447 0.000 -12.138) 12.927 5.384 ( 2.913 0.000 22.425) 22.614 6.041 ( 1.632 0.000 -3.974) 4.296 6.053 ( 2.191 0.000 -2.025) 2.983 6.253 ( -3.158 0.000 -6.154) 6.917 6.272 ( -3.817 0.000 6.202) 7.282 6.412 ( 3.760 0.000 0.927) 3.873 6.438 ( 1.294 0.000 1.359) 1.877 6.515 ( -1.559 0.000 7.235) 7.401 6.625 ( 3.628 0.000 2.992) 4.703 7.038 ( -7.181 0.000 1.994) 7.453 7.135 ( -4.223 0.000 0.561) 4.260 7.158 ( -0.280 0.000 -1.415) 1.443 7.275 ( 2.251 0.000 0.874) 2.414 7.370 ( 0.815 0.000 -1.540) 1.742 7.456 ( 1.624 0.000 3.372) 3.743 7.731 ( -7.864 0.000 -3.065) 8.441 7.743 ( -4.002 0.000 0.378) 4.020 7.788 ( -0.695 0.000 -7.546) 7.578 7.926 ( 0.632 0.000 -3.110) 3.174 8.058 ( 2.411 0.000 0.899) 2.573 8.124 ( 3.962 0.000 3.792) 5.484 8.410 ( 1.843 0.000 -1.874) 2.628 8.433 ( 1.677 0.000 -1.367) 2.163 8.483 ( -3.422 0.000 11.383) 11.886 8.520 ( 3.147 0.000 -10.596) 11.053 8.684 ( -1.007 0.000 -2.728) 2.908 8.696 ( -2.149 0.000 3.440) 4.056 8.912 ( 0.547 0.000 -4.341) 4.375 8.925 ( -1.722 0.000 3.940) 4.300 9.863 ( -1.855 0.000 -1.495) 2.383 9.887 ( -2.105 0.000 3.053) 3.708 10.091 ( -2.236 0.000 5.073) 5.544 10.176 ( 2.924 0.000 -3.600) 4.638 10.310 ( -7.235 0.000 -1.415) 7.372 10.633 ( 0.261 0.000 -3.370) 3.380 10.699 ( 8.361 0.000 3.616) 9.109 10.788 ( 5.351 0.000 5.786) 7.881 11.377 ( -3.982 0.000 -8.491) 9.378 11.505 ( -3.253 0.000 6.082) 6.897 11.651 ( -3.758 0.000 -3.163) 4.912 11.787 ( -14.506 0.000 17.767) 22.936 12.168 ( -1.828 0.000 1.525) 2.381 12.401 ( -0.913 0.000 2.745) 2.893 12.469 ( 0.421 0.000 1.676) 1.729 12.545 ( 12.125 0.000 -18.522) 22.138 16.939 ( -4.739 0.000 11.014) 11.990 16.952 ( 2.877 0.000 -12.300) 12.632 16.998 ( -0.705 0.000 0.203) 0.734 17.077 ( 1.893 0.000 -0.922) 2.105 17.557 ( 1.897 0.000 -6.063) 6.353 17.595 ( 0.047 0.000 6.323) 6.323 17.882 ( -1.922 0.000 6.228) 6.518 17.886 ( 0.166 0.000 -3.345) 3.349 19.191 ( -3.727 0.000 -1.990) 4.225 19.288 ( -2.688 0.000 2.174) 3.457 19.481 ( 5.087 0.000 -5.007) 7.137 19.483 ( 3.787 0.000 6.081) 7.164 23.947 ( -0.909 0.000 -3.465) 3.582 23.978 ( -1.214 0.000 2.170) 2.486 24.543 ( 0.426 0.000 2.012) 2.056 24.546 ( 2.815 0.000 -5.927) 6.561 26.031 ( -1.590 0.000 -1.284) 2.044 26.207 ( 5.225 0.000 1.903) 5.561 26.982 ( -3.117 0.000 4.912) 5.817 27.165 ( 7.655 0.000 -5.757) 9.578 28.336 ( -0.068 0.000 -2.041) 2.042 28.342 ( -1.032 0.000 2.923) 3.100 28.429 ( -1.239 0.000 1.052) 1.626 28.441 ( -0.222 0.000 -1.058) 1.081 35.843 ( -2.573 0.000 7.726) 8.143 35.859 ( 2.151 0.000 -7.804) 8.095 36.698 ( -5.057 0.000 -14.267) 15.137 36.936 ( -4.844 0.000 23.087) 23.590 38.813 ( -5.237 0.000 2.352) 5.741 38.940 ( -0.406 0.000 -1.032) 1.109 39.601 ( 1.842 0.000 -28.333) 28.393 39.770 ( -6.700 0.000 28.066) 28.855 ======================= Grid point 183 (99/111) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 5.992 0.000 -8.453) 10.361 1.549 ( 5.906 0.000 -5.086) 7.794 1.669 ( 7.312 0.000 0.759) 7.351 1.852 ( 7.402 0.000 5.676) 9.328 2.350 ( 3.924 0.000 -11.897) 12.527 2.422 ( -2.017 0.000 8.812) 9.040 2.746 ( -1.004 0.000 1.014) 1.427 2.784 ( -2.453 0.000 3.398) 4.190 3.496 ( 1.433 0.000 5.220) 5.413 3.578 ( 7.713 0.000 -9.309) 12.089 3.601 ( 0.323 0.000 -9.925) 9.931 3.727 ( -0.879 0.000 1.478) 1.720 3.778 ( 3.076 0.000 -10.226) 10.678 3.809 ( -5.229 0.000 -2.634) 5.855 4.048 ( -4.314 0.000 -1.018) 4.433 4.211 ( -5.961 0.000 -1.624) 6.178 4.803 ( 9.138 0.000 -4.943) 10.389 5.010 ( 6.598 0.000 15.994) 17.302 5.287 ( 7.564 0.000 -9.665) 12.273 5.558 ( 2.190 0.000 23.091) 23.195 6.052 ( 2.043 0.000 -6.355) 6.675 6.104 ( 5.252 0.000 -6.710) 8.521 6.170 ( -2.914 0.000 -2.714) 3.982 6.251 ( -2.503 0.000 7.327) 7.742 6.412 ( -2.263 0.000 2.365) 3.273 6.495 ( 2.982 0.000 5.896) 6.607 6.570 ( 1.368 0.000 7.639) 7.761 6.710 ( 2.746 0.000 5.111) 5.802 6.888 ( -8.354 0.000 0.149) 8.356 7.063 ( -3.626 0.000 -0.112) 3.628 7.133 ( -1.642 0.000 -0.707) 1.787 7.297 ( -0.566 0.000 -3.698) 3.741 7.408 ( 3.430 0.000 2.102) 4.022 7.482 ( -1.397 0.000 6.297) 6.451 7.558 ( -7.282 0.000 -2.400) 7.667 7.666 ( -3.236 0.000 -2.646) 4.180 7.732 ( -0.908 0.000 -8.166) 8.216 7.929 ( 2.293 0.000 -3.468) 4.157 8.105 ( 2.033 0.000 -1.547) 2.555 8.212 ( 2.865 0.000 3.654) 4.643 8.412 ( -2.440 0.000 0.086) 2.441 8.426 ( 0.974 0.000 -4.268) 4.378 8.509 ( -1.157 0.000 9.692) 9.761 8.522 ( 2.260 0.000 -9.304) 9.575 8.659 ( 0.242 0.000 -3.039) 3.048 8.669 ( -2.308 0.000 3.831) 4.473 8.901 ( -2.894 0.000 5.411) 6.136 8.903 ( 0.892 0.000 -5.075) 5.153 9.817 ( -1.793 0.000 -1.582) 2.391 9.851 ( -3.407 0.000 4.986) 6.039 10.075 ( -2.511 0.000 3.347) 4.184 10.189 ( 0.352 0.000 -4.559) 4.573 10.236 ( -0.450 0.000 3.677) 3.704 10.658 ( 3.429 0.000 -1.529) 3.754 10.857 ( 7.126 0.000 1.952) 7.389 10.918 ( 4.645 0.000 3.545) 5.844 11.247 ( -5.595 0.000 -5.961) 8.176 11.416 ( -6.418 0.000 0.788) 6.466 11.470 ( -20.725 0.000 6.754) 21.798 11.601 ( -2.946 0.000 3.103) 4.278 12.199 ( 0.900 0.000 3.527) 3.640 12.452 ( -0.733 0.000 -4.791) 4.846 12.463 ( 2.595 0.000 12.608) 12.873 12.630 ( 5.636 0.000 -15.829) 16.802 16.900 ( -3.995 0.000 8.474) 9.369 16.942 ( 2.566 0.000 -12.651) 12.908 17.005 ( 0.519 0.000 2.315) 2.372 17.095 ( 0.675 0.000 -1.314) 1.478 17.581 ( 3.895 0.000 -6.619) 7.680 17.633 ( 0.143 0.000 7.521) 7.522 17.861 ( -0.606 0.000 -3.939) 3.985 17.876 ( -2.299 0.000 7.035) 7.401 19.130 ( -1.884 0.000 -0.766) 2.033 19.235 ( -3.509 0.000 1.908) 3.994 19.557 ( 5.101 0.000 -4.427) 6.754 19.585 ( 3.203 0.000 5.837) 6.659 23.911 ( -0.617 0.000 -4.358) 4.402 23.953 ( -2.536 0.000 2.689) 3.696 24.567 ( 0.613 0.000 3.276) 3.333 24.578 ( 4.473 0.000 -10.020) 10.973 26.023 ( 0.914 0.000 0.379) 0.989 26.289 ( 2.464 0.000 -0.818) 2.596 27.000 ( 1.636 0.000 8.380) 8.538 27.277 ( 7.175 0.000 -7.435) 10.333 28.323 ( -0.319 0.000 -1.472) 1.506 28.336 ( -1.196 0.000 3.179) 3.396 28.406 ( -1.563 0.000 0.800) 1.756 28.423 ( -1.062 0.000 -1.035) 1.482 35.833 ( -2.525 0.000 7.874) 8.269 35.856 ( 1.735 0.000 -8.124) 8.307 36.545 ( -4.812 0.000 -6.236) 7.877 36.899 ( -9.747 0.000 18.600) 20.999 38.733 ( -4.232 0.000 2.415) 4.873 38.868 ( -4.799 0.000 -5.033) 6.955 39.522 ( 3.815 0.000 -23.672) 23.977 39.742 ( -10.382 0.000 26.682) 28.630 ======================= Grid point 184 (100/111) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.122 0.000 -9.781) 11.539 1.622 ( 1.253 0.000 5.245) 5.393 1.831 ( 9.953 0.000 -4.933) 11.109 1.984 ( 4.082 0.000 1.793) 4.458 2.376 ( 4.904 0.000 -12.099) 13.055 2.425 ( -2.555 0.000 9.722) 10.052 2.736 ( -0.683 0.000 1.084) 1.281 2.753 ( -2.387 0.000 3.763) 4.456 3.566 ( 2.790 0.000 5.562) 6.222 3.581 ( 1.918 0.000 -7.167) 7.419 3.643 ( 2.485 0.000 -13.540) 13.766 3.674 ( -0.940 0.000 -2.242) 2.431 3.776 ( 1.744 0.000 -9.597) 9.754 3.791 ( 2.744 0.000 3.035) 4.091 3.950 ( -6.478 0.000 2.776) 7.048 4.086 ( -6.336 0.000 0.300) 6.343 4.971 ( 11.537 0.000 -8.775) 14.494 5.186 ( 1.273 0.000 19.269) 19.311 5.412 ( 11.229 0.000 -12.944) 17.136 5.671 ( -2.352 0.000 20.220) 20.356 6.051 ( 0.803 0.000 -4.949) 5.014 6.098 ( -1.208 0.000 -5.693) 5.820 6.198 ( 5.334 0.000 -3.148) 6.193 6.221 ( -2.631 0.000 2.920) 3.931 6.445 ( 2.513 0.000 8.889) 9.238 6.574 ( 0.156 0.000 10.190) 10.191 6.622 ( 1.514 0.000 2.236) 2.700 6.725 ( -5.702 0.000 4.765) 7.430 6.804 ( 2.643 0.000 0.836) 2.772 6.990 ( -3.247 0.000 -2.067) 3.849 7.074 ( -4.067 0.000 -1.331) 4.280 7.196 ( -5.937 0.000 -8.477) 10.349 7.453 ( -1.564 0.000 1.280) 2.021 7.475 ( -2.766 0.000 8.231) 8.683 7.516 ( 3.879 0.000 -2.534) 4.633 7.590 ( -2.744 0.000 -4.754) 5.489 7.701 ( 1.867 0.000 -0.398) 1.909 7.988 ( 4.741 0.000 -2.506) 5.362 8.113 ( 0.731 0.000 -4.428) 4.488 8.267 ( 0.795 0.000 4.274) 4.347 8.359 ( -2.961 0.000 -0.741) 3.052 8.399 ( -0.972 0.000 -6.002) 6.081 8.514 ( 2.151 0.000 -10.096) 10.323 8.515 ( -3.123 0.000 10.277) 10.741 8.652 ( -1.945 0.000 6.100) 6.402 8.662 ( 1.629 0.000 -4.177) 4.484 8.880 ( -2.467 0.000 6.996) 7.418 8.894 ( 0.977 0.000 -5.576) 5.660 9.789 ( 0.021 0.000 -2.392) 2.392 9.818 ( -2.999 0.000 6.808) 7.439 10.036 ( -2.031 0.000 1.404) 2.469 10.145 ( -2.020 0.000 -5.390) 5.756 10.310 ( 4.323 0.000 7.245) 8.437 10.741 ( 5.321 0.000 0.177) 5.324 10.933 ( -6.136 0.000 -6.344) 8.825 11.001 ( 5.543 0.000 0.208) 5.547 11.104 ( -5.276 0.000 4.202) 6.744 11.195 ( -6.182 0.000 -1.300) 6.317 11.298 ( -5.512 0.000 -0.749) 5.562 11.532 ( -6.321 0.000 3.476) 7.214 12.235 ( 1.337 0.000 3.871) 4.095 12.413 ( -0.199 0.000 -6.388) 6.391 12.569 ( -0.937 0.000 18.676) 18.700 12.619 ( 2.390 0.000 -15.817) 15.997 16.878 ( -2.726 0.000 8.519) 8.944 16.922 ( 2.026 0.000 -12.315) 12.481 17.034 ( 1.063 0.000 2.375) 2.602 17.094 ( -0.002 0.000 -1.325) 1.325 17.632 ( 4.929 0.000 -7.816) 9.241 17.673 ( -0.482 0.000 8.951) 8.964 17.834 ( 0.473 0.000 -5.400) 5.420 17.863 ( -2.797 0.000 7.155) 7.682 19.106 ( -0.507 0.000 -0.053) 0.510 19.178 ( -3.110 0.000 1.295) 3.369 19.626 ( 4.083 0.000 -4.030) 5.737 19.656 ( 1.107 0.000 5.416) 5.528 23.883 ( 0.237 0.000 -4.911) 4.917 23.915 ( -2.885 0.000 3.629) 4.636 24.596 ( -0.281 0.000 6.484) 6.490 24.610 ( 4.751 0.000 -13.026) 13.866 26.065 ( 2.652 0.000 2.090) 3.376 26.288 ( -1.260 0.000 -3.213) 3.451 27.117 ( 4.555 0.000 11.482) 12.352 27.351 ( 4.550 0.000 -9.144) 10.213 28.312 ( -0.050 0.000 -0.910) 0.911 28.330 ( -1.087 0.000 3.192) 3.372 28.379 ( -1.430 0.000 0.211) 1.446 28.393 ( -1.313 0.000 -1.046) 1.679 35.826 ( -2.352 0.000 8.016) 8.353 35.844 ( 1.498 0.000 -8.350) 8.483 36.466 ( -1.258 0.000 -0.868) 1.529 36.766 ( -11.100 0.000 10.379) 15.196 38.676 ( -2.845 0.000 2.408) 3.728 38.746 ( -3.791 0.000 -6.963) 7.928 39.498 ( 5.145 0.000 -20.565) 21.199 39.657 ( -11.471 0.000 24.805) 27.329 ======================= Grid point 185 (101/111) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 4.414 0.000 -10.594) 11.477 1.650 ( -2.048 0.000 9.311) 9.534 1.973 ( 6.464 0.000 -3.957) 7.579 2.027 ( -0.676 0.000 1.876) 1.994 2.407 ( 4.305 0.000 -11.642) 12.413 2.422 ( -3.176 0.000 10.593) 11.059 2.731 ( -0.070 0.000 -0.221) 0.232 2.734 ( -1.213 0.000 2.552) 2.825 3.584 ( -0.672 0.000 3.728) 3.789 3.596 ( -0.816 0.000 -2.177) 2.325 3.659 ( 5.413 0.000 -3.091) 6.233 3.687 ( 3.772 0.000 -11.079) 11.704 3.753 ( 0.277 0.000 -4.142) 4.151 3.808 ( -7.431 0.000 9.414) 11.993 3.898 ( 3.446 0.000 -0.359) 3.465 3.980 ( -4.762 0.000 0.066) 4.762 5.139 ( 11.048 0.000 -13.330) 17.314 5.232 ( -6.219 0.000 17.804) 18.859 5.566 ( 11.232 0.000 -15.046) 18.776 5.668 ( -7.435 0.000 16.798) 18.370 6.040 ( 0.162 0.000 -1.021) 1.034 6.056 ( -1.094 0.000 -1.977) 2.260 6.216 ( 0.894 0.000 1.866) 2.069 6.245 ( 0.837 0.000 -4.292) 4.372 6.545 ( 1.509 0.000 10.064) 10.177 6.585 ( -1.585 0.000 3.414) 3.764 6.658 ( 3.623 0.000 -6.774) 7.682 6.685 ( -2.064 0.000 5.458) 5.836 6.893 ( 3.944 0.000 7.771) 8.715 6.937 ( 0.213 0.000 -4.007) 4.012 6.978 ( -4.863 0.000 0.946) 4.954 7.031 ( -5.653 0.000 -9.713) 11.238 7.452 ( 0.203 0.000 3.260) 3.267 7.470 ( -1.662 0.000 6.215) 6.433 7.517 ( 1.022 0.000 -10.212) 10.263 7.518 ( -2.365 0.000 -1.732) 2.932 7.830 ( 7.044 0.000 8.814) 11.283 7.987 ( -3.773 0.000 -6.717) 7.704 8.158 ( 6.256 0.000 -2.078) 6.592 8.267 ( -5.195 0.000 3.841) 6.461 8.310 ( 0.293 0.000 0.703) 0.762 8.344 ( -1.194 0.000 -5.394) 5.525 8.507 ( -3.181 0.000 11.275) 11.715 8.507 ( 2.865 0.000 -11.580) 11.929 8.656 ( -1.493 0.000 7.886) 8.026 8.666 ( 1.450 0.000 -6.407) 6.569 8.876 ( -1.700 0.000 7.004) 7.208 8.883 ( 1.076 0.000 -6.200) 6.293 9.791 ( 1.718 0.000 -4.354) 4.681 9.803 ( -2.353 0.000 6.714) 7.115 10.027 ( 0.365 0.000 2.182) 2.213 10.073 ( -2.369 0.000 -4.496) 5.082 10.462 ( 7.366 0.000 8.384) 11.160 10.683 ( -11.149 0.000 -8.636) 14.103 10.855 ( 5.972 0.000 1.213) 6.094 10.974 ( -5.244 0.000 -1.413) 5.431 11.142 ( 1.723 0.000 3.732) 4.110 11.204 ( -3.527 0.000 -1.692) 3.912 11.226 ( 8.574 0.000 -2.108) 8.829 11.394 ( -9.165 0.000 2.473) 9.493 12.295 ( 2.491 0.000 4.799) 5.407 12.367 ( -1.812 0.000 -5.552) 5.840 12.598 ( 4.657 0.000 -17.539) 18.147 12.605 ( -4.922 0.000 19.026) 19.652 16.880 ( -1.968 0.000 9.702) 9.899 16.898 ( 1.752 0.000 -11.188) 11.325 17.064 ( 0.857 0.000 1.754) 1.952 17.084 ( -0.395 0.000 -1.312) 1.370 17.680 ( 4.239 0.000 -9.080) 10.021 17.696 ( -2.241 0.000 9.657) 9.913 17.828 ( 2.068 0.000 -6.578) 6.895 17.843 ( -2.906 0.000 7.014) 7.592 19.107 ( 0.722 0.000 -0.129) 0.734 19.132 ( -2.060 0.000 0.641) 2.158 19.670 ( 2.647 0.000 -4.154) 4.926 19.683 ( -0.949 0.000 4.740) 4.834 23.873 ( 1.336 0.000 -4.994) 5.170 23.884 ( -2.353 0.000 4.515) 5.091 24.619 ( -1.953 0.000 10.502) 10.682 24.625 ( 3.703 0.000 -13.221) 13.730 26.140 ( 3.464 0.000 3.354) 4.822 26.224 ( -3.132 0.000 -3.825) 4.944 27.260 ( 3.383 0.000 11.984) 12.452 27.349 ( 0.391 0.000 -10.859) 10.867 28.314 ( 0.661 0.000 -0.902) 1.119 28.324 ( -1.072 0.000 2.323) 2.558 28.360 ( -0.432 0.000 0.161) 0.461 28.367 ( -0.753 0.000 -0.960) 1.220 35.825 ( -2.023 0.000 8.157) 8.404 35.832 ( 1.643 0.000 -8.311) 8.471 36.489 ( 3.763 0.000 0.293) 3.775 36.605 ( -8.536 0.000 3.072) 9.072 38.650 ( -1.240 0.000 3.334) 3.557 38.668 ( -0.975 0.000 -5.332) 5.421 39.512 ( 7.260 0.000 -20.852) 22.080 39.568 ( -9.952 0.000 22.661) 24.750 ======================= Grid point 190 (102/111) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.325 3.871 -12.384) 12.979 1.516 ( -0.325 3.871 12.384) 12.979 1.601 ( -1.894 8.391 -8.009) 11.753 1.601 ( 1.894 8.391 8.009) 11.753 2.338 ( 1.332 -3.166 -12.973) 13.420 2.338 ( -1.332 -3.166 12.973) 13.420 2.709 ( 0.099 -7.975 -6.006) 9.985 2.709 ( -0.099 -7.975 6.006) 9.985 3.453 ( 2.138 0.713 -10.683) 10.918 3.453 ( -2.138 0.713 10.683) 10.918 3.663 ( -0.709 -4.363 -9.575) 10.546 3.663 ( 0.709 -4.363 9.575) 10.546 3.933 ( -1.443 8.567 -2.317) 8.992 3.933 ( 1.443 8.567 2.317) 8.992 4.300 ( -1.905 -1.368 -9.688) 9.967 4.300 ( 1.905 -1.368 9.688) 9.967 4.704 ( -0.473 3.794 -12.751) 13.312 4.704 ( 0.473 3.794 12.751) 13.312 5.195 ( 0.222 -5.426 -16.714) 17.574 5.195 ( -0.222 -5.426 16.714) 17.574 6.012 ( -0.318 -2.029 -1.299) 2.430 6.012 ( 0.318 -2.029 1.299) 2.430 6.248 ( -2.337 -3.783 -2.591) 5.146 6.248 ( 2.337 -3.783 2.591) 5.146 6.443 ( -0.905 4.332 -3.187) 5.454 6.443 ( 0.905 4.332 3.187) 5.454 6.636 ( -1.912 7.250 -3.885) 8.445 6.636 ( 1.912 7.250 3.885) 8.445 7.102 ( 0.429 -2.727 -1.511) 3.147 7.102 ( -0.429 -2.727 1.511) 3.147 7.217 ( -4.376 0.055 -0.059) 4.377 7.217 ( 4.376 0.055 0.059) 4.377 7.433 ( 1.535 3.671 -2.228) 4.561 7.433 ( -1.535 3.671 2.228) 4.561 7.780 ( 1.465 -2.302 -3.792) 4.672 7.780 ( -1.465 -2.302 3.792) 4.672 7.840 ( -3.553 -3.501 0.274) 4.995 7.840 ( 3.553 -3.501 -0.274) 4.995 8.028 ( -1.832 -1.892 -1.816) 3.199 8.028 ( 1.832 -1.892 1.816) 3.199 8.417 ( -0.478 1.606 -2.998) 3.434 8.417 ( 0.478 1.606 2.998) 3.434 8.506 ( 3.303 -0.062 -8.741) 9.345 8.506 ( -3.303 -0.062 8.741) 9.345 8.705 ( 0.128 -0.119 -3.137) 3.142 8.705 ( -0.128 -0.119 3.137) 3.142 8.898 ( 0.078 -2.472 -3.667) 4.423 8.898 ( -0.078 -2.472 3.667) 4.423 9.912 ( 0.576 1.760 -2.883) 3.427 9.912 ( -0.576 1.760 2.883) 3.427 10.097 ( 2.293 -2.897 -4.275) 5.650 10.097 ( -2.293 -2.897 4.275) 5.650 10.512 ( -7.347 1.373 -3.723) 8.350 10.512 ( 7.347 1.373 3.723) 8.350 10.648 ( -2.850 -2.719 -3.703) 5.406 10.648 ( 2.850 -2.719 3.703) 5.406 11.508 ( -2.393 2.766 -8.762) 9.494 11.508 ( 2.393 2.766 8.762) 9.494 11.779 ( -6.308 0.329 -11.106) 12.777 11.779 ( 6.308 0.329 11.106) 12.777 12.344 ( 9.594 0.940 -6.607) 11.687 12.344 ( -9.594 0.940 6.607) 11.687 12.434 ( 2.947 -0.919 -4.113) 5.142 12.434 ( -2.947 -0.919 4.113) 5.142 16.969 ( 2.628 1.205 -10.650) 11.036 16.969 ( -2.628 1.205 10.650) 11.036 17.048 ( 0.790 1.278 -0.734) 1.672 17.048 ( -0.790 1.278 0.734) 1.672 17.575 ( 0.824 1.024 -5.493) 5.648 17.575 ( -0.824 1.024 5.493) 5.648 17.835 ( 1.151 -5.079 -5.691) 7.714 17.835 ( -1.151 -5.079 5.691) 7.714 19.292 ( -2.778 1.087 -2.365) 3.807 19.292 ( 2.778 1.087 2.365) 3.807 19.430 ( 1.757 0.228 -5.051) 5.353 19.430 ( -1.757 0.228 5.051) 5.353 24.014 ( -0.052 4.057 -2.516) 4.774 24.014 ( 0.052 4.057 2.516) 4.774 24.456 ( 0.845 -7.419 -2.607) 7.909 24.456 ( -0.845 -7.419 2.607) 7.909 26.211 ( -4.116 10.702 -1.166) 11.526 26.211 ( 4.116 10.702 1.166) 11.526 26.994 ( 5.934 -6.050 -4.059) 9.396 26.994 ( -5.934 -6.050 4.059) 9.396 28.353 ( 0.402 0.905 -2.319) 2.521 28.353 ( -0.402 0.905 2.319) 2.521 28.436 ( 0.445 -0.627 -1.269) 1.484 28.436 ( -0.445 -0.627 1.269) 1.484 35.902 ( 2.663 5.270 -7.937) 9.892 35.902 ( -2.663 5.270 7.937) 9.892 36.679 ( -0.515 -16.154 -14.870) 21.962 36.679 ( 0.515 -16.154 14.870) 21.962 39.048 ( 0.136 13.147 -8.770) 15.804 39.048 ( -0.136 13.147 8.770) 15.804 39.685 ( 2.351 -2.994 -27.745) 28.005 39.685 ( -2.351 -2.994 27.745) 28.005 ======================= Grid point 192 (103/111) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 6.254 4.020 -13.963) 15.819 1.561 ( 2.448 8.116 -7.080) 11.045 1.617 ( 3.240 6.003 10.431) 12.464 1.720 ( 5.770 5.857 8.621) 11.913 2.298 ( 1.628 -3.913 -11.611) 12.360 2.380 ( -0.661 -2.559 9.207) 9.578 2.680 ( -0.172 -7.924 -4.518) 9.123 2.734 ( -0.861 -7.444 6.533) 9.941 3.450 ( 2.071 -0.067 -4.544) 4.994 3.496 ( 2.760 0.275 0.932) 2.926 3.603 ( -0.321 -2.738 -7.667) 8.148 3.712 ( 0.358 -3.826 4.708) 6.077 3.882 ( -1.633 9.338 -4.586) 10.531 3.955 ( -0.758 6.393 0.054) 6.438 4.164 ( -4.647 -0.183 -12.166) 13.024 4.304 ( -3.663 -1.628 1.029) 4.138 4.711 ( 5.894 3.374 -6.575) 9.453 4.837 ( 5.806 2.826 12.696) 14.243 5.174 ( 4.093 -4.549 -8.999) 10.882 5.327 ( 3.077 -5.587 21.788) 22.703 6.005 ( 1.263 -2.692 -5.360) 6.129 6.029 ( 2.193 -2.328 -4.106) 5.204 6.198 ( -2.051 -1.067 3.913) 4.545 6.317 ( 0.626 -2.266 4.498) 5.075 6.406 ( -0.011 3.693 0.626) 3.746 6.497 ( 1.920 2.553 3.413) 4.675 6.562 ( -4.087 5.427 0.371) 6.804 6.705 ( 2.401 6.444 3.583) 7.754 7.019 ( -5.654 -1.290 0.150) 5.801 7.118 ( -3.389 -0.845 0.665) 3.555 7.151 ( 0.203 -1.102 -1.569) 1.928 7.284 ( 2.455 -0.676 -1.259) 2.841 7.403 ( -0.915 4.724 3.636) 6.031 7.481 ( 1.608 2.334 1.136) 3.053 7.685 ( -7.583 -4.318 -1.791) 8.908 7.732 ( -3.392 -1.274 -1.237) 3.828 7.784 ( -0.719 -0.305 -6.915) 6.959 7.901 ( 2.542 -2.784 -3.594) 5.209 8.031 ( 1.889 -2.173 1.496) 3.244 8.105 ( 3.707 -2.257 4.596) 6.321 8.408 ( 0.946 0.472 -3.326) 3.491 8.451 ( 1.435 1.288 0.763) 2.074 8.480 ( -3.002 -0.235 6.809) 7.446 8.522 ( 2.262 -0.150 -7.181) 7.530 8.680 ( -0.752 -0.078 -2.767) 2.868 8.703 ( -1.674 0.499 3.447) 3.865 8.881 ( -0.024 -2.438 -3.111) 3.953 8.913 ( -0.517 -1.710 3.390) 3.832 9.856 ( -3.783 0.156 1.041) 3.926 9.926 ( -0.767 2.634 0.643) 2.817 10.062 ( -2.819 -3.758 2.772) 5.455 10.108 ( 0.550 -3.140 -1.823) 3.673 10.396 ( -3.136 5.898 -1.218) 6.790 10.600 ( -0.301 -2.784 -2.631) 3.842 10.692 ( 8.163 -0.927 4.136) 9.198 10.750 ( 5.454 -3.338 4.477) 7.806 11.371 ( -6.034 -0.328 -7.646) 9.745 11.471 ( -9.933 -4.476 -2.418) 11.160 11.671 ( -1.107 6.437 3.855) 7.584 11.903 ( -5.656 6.597 16.001) 18.208 12.181 ( -3.336 1.634 0.972) 3.840 12.382 ( -1.701 -1.974 2.903) 3.901 12.469 ( 1.003 -0.121 -0.736) 1.250 12.520 ( 10.405 -2.243 -14.276) 17.807 16.949 ( -1.974 1.262 1.990) 3.074 16.977 ( 0.187 1.810 -0.371) 1.857 17.013 ( -0.871 1.527 -1.222) 2.140 17.078 ( 1.740 0.050 -2.659) 3.178 17.573 ( 1.852 1.663 -5.239) 5.800 17.596 ( -0.168 0.277 6.021) 6.030 17.819 ( -0.452 -5.340 -1.111) 5.473 17.850 ( -0.337 -4.017 3.581) 5.392 19.218 ( -2.732 2.733 -2.171) 4.433 19.315 ( -1.855 2.496 2.206) 3.813 19.451 ( 3.640 -2.244 -0.923) 4.374 19.483 ( 3.056 -0.653 2.174) 3.807 23.992 ( -0.407 4.707 -3.814) 6.072 24.016 ( -1.089 3.945 2.041) 4.574 24.460 ( 0.227 -7.792 1.469) 7.933 24.468 ( 2.484 -7.591 -5.403) 9.643 26.150 ( -1.657 11.421 0.549) 11.554 26.319 ( 5.758 10.736 1.063) 12.229 26.922 ( -3.370 -6.118 4.391) 8.250 27.098 ( 7.063 -6.879 -5.376) 11.229 28.344 ( -0.259 0.773 -1.686) 1.872 28.352 ( -1.007 0.911 2.751) 3.068 28.425 ( -0.914 -0.416 0.375) 1.072 28.434 ( -0.317 -0.689 -0.623) 0.982 35.889 ( -2.780 4.871 7.798) 9.606 35.910 ( 2.199 5.503 -7.757) 9.761 36.557 ( -4.840 -13.083 -7.518) 15.846 36.743 ( -2.251 -17.584 12.805) 21.869 38.925 ( -6.794 11.195 1.828) 13.222 39.121 ( 0.121 15.427 2.542) 15.635 39.554 ( -0.740 -4.785 -23.147) 23.648 39.747 ( -5.346 -2.765 22.759) 23.541 ======================= Grid point 193 (104/111) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 6.319 4.476 -9.466) 12.230 1.610 ( 5.710 7.501 -5.085) 10.711 1.743 ( 5.790 7.101 4.901) 10.392 1.886 ( 7.134 3.500 4.860) 9.315 2.289 ( 3.460 -4.281 -11.148) 12.433 2.406 ( -1.100 -1.946 8.247) 8.544 2.659 ( 0.045 -8.012 -3.210) 8.631 2.736 ( -2.376 -5.966 6.373) 9.048 3.484 ( 3.836 -0.770 -4.828) 6.214 3.542 ( 3.412 -2.871 -9.508) 10.501 3.603 ( 1.941 1.019 3.259) 3.928 3.721 ( -0.781 -3.467 0.175) 3.559 3.833 ( -0.471 7.962 -5.203) 9.523 3.883 ( -3.812 5.850 -6.907) 9.822 4.053 ( -3.116 0.234 -3.609) 4.774 4.210 ( -5.404 -0.624 -0.840) 5.504 4.832 ( 9.368 2.915 -5.939) 11.469 5.033 ( 7.732 1.659 10.868) 13.440 5.244 ( 6.140 -3.426 -4.094) 8.136 5.500 ( 2.270 -5.674 22.743) 23.550 6.004 ( 1.947 -2.979 -7.035) 7.884 6.065 ( 4.862 -3.336 -7.794) 9.773 6.197 ( -1.203 2.547 4.877) 5.632 6.303 ( -2.896 3.665 5.004) 6.846 6.446 ( 1.361 2.698 -0.570) 3.075 6.497 ( -2.207 -0.517 7.299) 7.643 6.559 ( 1.263 -0.119 6.542) 6.664 6.752 ( -0.492 1.955 4.722) 5.134 6.900 ( -5.144 2.637 -2.285) 6.216 7.046 ( -3.776 0.045 0.522) 3.812 7.148 ( -0.531 -0.074 -1.248) 1.358 7.282 ( -1.579 -2.383 -4.609) 5.423 7.438 ( 1.526 3.099 5.489) 6.486 7.499 ( -1.358 1.504 2.274) 3.046 7.539 ( -4.673 -0.650 -0.102) 4.719 7.658 ( -2.825 -0.782 -3.847) 4.837 7.730 ( -0.878 0.132 -6.761) 6.819 7.929 ( 3.044 -0.349 -3.401) 4.577 8.081 ( 2.309 -2.136 -0.493) 3.184 8.195 ( 3.195 -2.170 3.653) 5.316 8.395 ( -1.467 -0.408 -1.664) 2.256 8.446 ( -0.141 1.293 -2.835) 3.120 8.488 ( -0.385 -1.484 4.207) 4.478 8.523 ( 0.660 -0.483 -3.293) 3.393 8.662 ( 0.659 0.453 -3.598) 3.686 8.683 ( -2.265 0.993 3.927) 4.641 8.866 ( -0.160 -2.009 -1.926) 2.788 8.911 ( -1.272 -0.579 2.940) 3.255 9.791 ( -3.186 -0.861 1.475) 3.615 9.893 ( -3.189 1.402 2.394) 4.227 10.023 ( -1.740 -3.204 0.316) 3.660 10.121 ( 1.007 -2.655 0.976) 3.002 10.360 ( -0.715 7.337 0.048) 7.372 10.610 ( 2.288 -4.031 -1.328) 4.822 10.852 ( 7.198 -0.722 2.357) 7.609 10.891 ( 6.017 -3.034 4.183) 7.931 11.198 ( -10.362 -4.917 -6.968) 13.420 11.240 ( -8.795 -6.391 -2.473) 11.149 11.639 ( -7.171 9.381 5.980) 13.236 11.746 ( -10.641 10.767 4.776) 15.874 12.201 ( 1.272 0.281 2.513) 2.830 12.427 ( 2.392 -3.702 5.196) 6.813 12.462 ( 0.173 0.955 -0.179) 0.987 12.603 ( 4.719 -2.519 -10.824) 12.073 16.919 ( -2.975 1.977 6.013) 6.995 16.968 ( 1.549 2.424 -9.056) 9.502 17.011 ( -0.005 0.459 3.002) 3.037 17.089 ( 0.919 -0.766 -3.118) 3.339 17.593 ( 3.256 1.065 -6.274) 7.148 17.630 ( 0.030 0.029 7.653) 7.653 17.806 ( -0.014 -4.385 -2.104) 4.864 17.856 ( -1.333 -2.634 4.955) 5.768 19.172 ( -1.111 4.267 -1.515) 4.662 19.275 ( -3.087 3.946 2.463) 5.583 19.519 ( 4.425 -3.870 -4.297) 7.282 19.559 ( 2.264 -2.770 5.654) 6.691 23.964 ( -0.146 5.446 -4.970) 7.374 23.995 ( -2.237 4.363 2.704) 5.599 24.477 ( 0.381 -8.459 2.756) 8.905 24.493 ( 3.921 -8.182 -9.353) 13.031 26.150 ( 0.831 12.231 2.116) 12.440 26.412 ( 3.157 11.859 -1.578) 12.373 26.928 ( 1.121 -7.451 7.828) 10.865 27.200 ( 6.492 -7.937 -6.905) 12.362 28.328 ( -0.565 0.594 -0.942) 1.249 28.344 ( -1.232 0.762 3.043) 3.370 28.406 ( -1.090 -0.122 -0.277) 1.132 28.418 ( -0.965 -0.407 -0.445) 1.138 35.876 ( -2.660 4.474 7.863) 9.430 35.907 ( 1.661 5.528 -7.900) 9.784 36.438 ( -4.444 -10.076 -2.191) 11.228 36.719 ( -6.168 -16.611 9.883) 20.289 38.818 ( -5.694 9.488 4.212) 11.840 39.055 ( -5.841 15.749 -4.503) 17.390 39.463 ( 1.885 -5.938 -16.082) 17.247 39.714 ( -9.191 -3.240 20.778) 22.950 ======================= Grid point 194 (105/111) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 5.118 5.396 -7.162) 10.325 1.686 ( 2.568 6.168 0.934) 6.746 1.887 ( 7.914 5.856 -1.912) 10.029 2.017 ( 4.100 3.342 2.122) 5.699 2.316 ( 4.923 -4.019 -10.334) 12.132 2.424 ( -1.527 -1.189 8.070) 8.299 2.651 ( 0.605 -7.742 -2.414) 8.132 2.712 ( -3.145 -5.080 6.016) 8.479 3.545 ( 6.729 -1.668 -14.475) 16.050 3.554 ( -0.170 -1.211 5.590) 5.722 3.641 ( 0.479 -1.017 -5.332) 5.449 3.701 ( 0.414 -0.270 -0.768) 0.914 3.804 ( -1.374 5.061 -2.758) 5.925 3.832 ( 2.832 3.938 -2.950) 5.677 3.965 ( -5.443 1.456 0.126) 5.635 4.100 ( -5.620 0.569 -0.015) 5.649 4.998 ( 11.522 2.853 -9.041) 14.921 5.212 ( 2.679 2.224 15.436) 15.824 5.359 ( 9.384 -4.481 -8.997) 13.751 5.614 ( -2.293 -5.582 20.337) 21.213 6.012 ( 2.139 -1.689 -4.835) 5.550 6.123 ( 4.030 -1.584 -9.108) 10.085 6.180 ( -1.128 2.036 1.097) 2.573 6.285 ( -1.032 5.157 4.254) 6.765 6.471 ( 0.891 2.957 7.985) 8.561 6.521 ( -1.183 -5.132 4.931) 7.215 6.611 ( 0.691 -2.321 5.478) 5.989 6.717 ( -3.787 -1.556 5.166) 6.592 6.846 ( 0.393 3.879 -2.477) 4.619 6.986 ( -2.206 2.253 0.202) 3.160 7.106 ( -3.178 0.923 -2.214) 3.981 7.173 ( -5.556 -2.235 -7.157) 9.332 7.452 ( -1.608 0.014 1.923) 2.507 7.471 ( -1.803 -0.207 7.689) 7.901 7.546 ( 2.019 2.449 -5.251) 6.136 7.583 ( -2.408 -0.619 -5.709) 6.227 7.721 ( 2.703 2.844 2.735) 4.783 7.995 ( 4.639 0.511 -2.007) 5.080 8.100 ( 0.734 -1.528 -3.542) 3.926 8.262 ( 2.162 -2.014 2.198) 3.683 8.339 ( -3.517 0.173 0.018) 3.522 8.425 ( -0.278 2.042 -4.814) 5.237 8.493 ( -0.743 -1.738 2.607) 3.220 8.513 ( -0.258 -0.548 -1.835) 1.932 8.661 ( -0.759 0.440 1.660) 1.877 8.666 ( 0.134 0.691 -0.550) 0.894 8.860 ( 0.290 -1.464 -0.824) 1.705 8.896 ( -1.571 -0.278 2.424) 2.902 9.757 ( -1.081 -1.387 1.285) 2.178 9.839 ( -3.540 -0.574 2.899) 4.611 10.008 ( 0.137 -0.410 0.389) 0.581 10.134 ( -0.384 -1.782 -1.092) 2.125 10.374 ( 1.831 5.604 3.529) 6.871 10.669 ( 3.825 -5.978 0.170) 7.099 10.909 ( -9.525 -4.977 -8.491) 13.696 10.977 ( 1.237 -1.860 -1.226) 2.548 11.037 ( 5.316 -1.474 4.582) 7.171 11.128 ( -1.595 -3.770 -0.129) 4.095 11.461 ( -10.567 10.304 1.525) 14.838 11.598 ( -8.413 5.489 2.050) 10.253 12.246 ( 2.258 1.271 2.776) 3.797 12.422 ( 0.427 0.610 -6.396) 6.439 12.531 ( 0.110 -3.278 11.196) 11.666 12.605 ( 0.803 -1.564 -6.507) 6.740 16.902 ( -2.251 2.442 7.431) 8.139 16.948 ( 1.560 2.478 -10.439) 10.842 17.034 ( 0.425 -0.238 3.486) 3.520 17.086 ( 0.402 -0.977 -2.905) 3.091 17.631 ( 4.027 -0.167 -6.959) 8.042 17.668 ( -0.488 -0.349 8.267) 8.289 17.801 ( 1.156 -2.579 -3.788) 4.726 17.849 ( -2.147 -1.607 5.595) 6.205 19.156 ( 0.079 5.127 -1.098) 5.244 19.228 ( -2.902 5.010 2.107) 6.161 19.576 ( 3.676 -4.972 -4.092) 7.415 19.615 ( 0.553 -4.266 5.316) 6.839 23.940 ( 0.450 5.833 -5.379) 7.947 23.963 ( -2.565 5.008 3.699) 6.734 24.500 ( -0.377 -9.065 5.907) 10.826 24.518 ( 4.176 -8.849 -12.196) 15.636 26.198 ( 2.479 12.780 3.444) 13.466 26.416 ( -0.857 12.444 -4.045) 13.113 27.035 ( 4.344 -8.392 10.799) 14.349 27.265 ( 3.944 -8.864 -8.418) 12.845 28.316 ( -0.288 0.435 -0.308) 0.606 28.337 ( -1.163 0.501 2.983) 3.241 28.383 ( -0.863 0.314 -1.002) 1.359 28.395 ( -1.090 0.219 -0.324) 1.158 35.868 ( -2.301 4.319 7.885) 9.280 35.895 ( 1.298 5.347 -8.019) 9.725 36.377 ( -1.517 -8.503 1.620) 8.788 36.618 ( -7.649 -13.824 4.604) 16.456 38.753 ( -3.651 8.712 5.969) 11.174 38.904 ( -5.014 13.170 -9.469) 16.978 39.444 ( 3.151 -5.272 -12.020) 13.498 39.621 ( -10.177 -3.982 18.124) 21.163 ======================= Grid point 195 (106/111) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 3.334 5.512 -6.513) 9.161 1.715 ( -0.931 5.832 4.810) 7.617 2.008 ( 5.672 4.037 -3.490) 7.787 2.059 ( -0.935 3.520 2.364) 4.342 2.369 ( 5.465 -2.832 -9.272) 11.129 2.416 ( -3.744 -1.349 8.294) 9.200 2.659 ( 1.752 -6.598 -3.216) 7.547 2.683 ( -2.750 -5.443 5.065) 7.927 3.560 ( 0.070 -1.100 2.564) 2.791 3.584 ( 0.487 -1.471 -7.122) 7.289 3.649 ( 4.617 -0.631 -2.511) 5.293 3.704 ( -0.277 -0.073 -2.514) 2.530 3.792 ( 0.430 4.491 1.702) 4.822 3.853 ( -5.538 3.585 0.644) 6.628 3.904 ( 4.707 1.134 -0.616) 4.880 3.997 ( -5.157 1.022 0.284) 5.265 5.165 ( 10.954 2.723 -13.168) 17.344 5.259 ( -6.183 2.827 17.054) 18.359 5.506 ( 11.092 -5.656 -14.308) 18.967 5.612 ( -7.598 -5.523 16.809) 19.255 6.038 ( 2.085 0.715 -0.788) 2.340 6.086 ( -2.381 2.683 -2.523) 4.385 6.222 ( 4.562 -0.065 -3.315) 5.639 6.284 ( -2.207 3.612 2.017) 4.689 6.503 ( 0.381 -6.210 -1.468) 6.393 6.517 ( -2.326 -2.464 10.052) 10.608 6.651 ( 2.935 -1.323 -1.078) 3.395 6.696 ( -2.098 0.250 3.428) 4.027 6.875 ( 2.478 -0.704 4.754) 5.407 6.968 ( -0.783 2.111 -5.400) 5.851 7.007 ( -2.755 1.132 -0.883) 3.106 7.054 ( -3.688 3.168 -3.313) 5.884 7.453 ( -0.015 0.280 3.952) 3.962 7.474 ( -1.302 0.236 4.718) 4.900 7.514 ( -1.978 -0.221 -1.185) 2.316 7.522 ( 0.594 0.251 -10.240) 10.260 7.854 ( 6.375 2.805 8.255) 10.800 7.997 ( -3.459 1.389 -6.272) 7.296 8.141 ( 5.232 -2.288 -0.124) 5.712 8.243 ( -4.078 -3.092 -2.681) 5.777 8.327 ( 1.146 2.895 5.602) 6.409 8.382 ( -1.459 3.204 -5.049) 6.155 8.493 ( -0.930 -1.336 4.152) 4.459 8.500 ( 0.564 -0.856 -4.251) 4.373 8.661 ( -1.167 0.393 5.601) 5.734 8.667 ( 1.039 0.215 -4.574) 4.696 8.866 ( 0.805 -0.955 -1.080) 1.651 8.879 ( -1.299 -0.557 1.876) 2.348 9.760 ( 0.946 -1.893 0.147) 2.122 9.791 ( -2.550 -1.798 1.631) 3.521 10.034 ( 1.909 1.194 1.859) 2.919 10.092 ( -2.404 0.696 -2.826) 3.775 10.474 ( 5.594 1.652 6.582) 8.795 10.646 ( -8.044 -2.671 -6.484) 10.672 10.791 ( 4.475 -5.803 -0.002) 7.329 10.904 ( -5.384 -5.794 -2.632) 8.336 11.165 ( 4.615 2.118 3.117) 5.958 11.226 ( 9.647 0.159 0.553) 9.664 11.289 ( -7.262 6.494 -1.168) 9.812 11.423 ( -10.228 2.202 0.602) 10.480 12.315 ( 3.000 2.092 3.589) 5.124 12.386 ( -1.803 1.881 -4.448) 5.155 12.562 ( 2.368 -3.205 -4.373) 5.916 12.588 ( -2.728 -2.039 6.209) 7.082 16.906 ( -1.600 2.637 8.622) 9.157 16.925 ( 1.394 2.616 -9.765) 10.205 17.058 ( 0.331 -0.763 3.016) 3.128 17.076 ( 0.032 -0.961 -2.736) 2.900 17.670 ( 3.579 -0.920 -7.389) 8.262 17.686 ( -2.012 -0.914 7.908) 8.211 17.812 ( 2.198 -1.273 -4.952) 5.566 17.832 ( -2.511 -1.079 5.537) 6.174 19.163 ( 1.154 5.579 -1.192) 5.821 19.188 ( -2.192 5.600 1.603) 6.224 19.617 ( 2.616 -5.410 -4.031) 7.236 19.633 ( -1.224 -5.131 4.534) 6.956 23.929 ( 1.275 5.840 -5.059) 7.831 23.938 ( -2.110 5.559 4.454) 7.429 24.520 ( -1.787 -9.382 9.749) 13.647 24.528 ( 3.274 -9.301 -12.345) 15.800 26.274 ( 3.161 12.900 4.330) 13.969 26.356 ( -2.760 12.692 -4.605) 13.781 27.171 ( 3.343 -8.986 11.032) 14.616 27.258 ( 0.099 -9.270 -9.931) 13.586 28.316 ( 0.458 0.298 -0.292) 0.620 28.328 ( -1.054 0.224 1.630) 1.954 28.369 ( -0.048 0.832 -0.448) 0.946 28.376 ( -0.699 0.762 -0.317) 1.081 35.868 ( -1.784 4.526 7.919) 9.294 35.879 ( 1.353 4.962 -7.995) 9.506 36.398 ( 2.516 -8.777 2.536) 9.477 36.491 ( -6.102 -10.754 -0.248) 12.367 38.741 ( -1.182 9.181 7.718) 12.052 38.789 ( -1.774 10.769 -9.375) 14.387 39.462 ( 5.390 -4.995 -12.864) 14.815 39.524 ( -8.385 -4.633 15.307) 18.058 ======================= Grid point 200 (107/111) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.060 3.642 -6.663) 7.593 1.598 ( 0.060 3.642 6.663) 7.593 1.740 ( -1.821 3.953 -1.611) 4.640 1.740 ( 1.821 3.953 1.611) 4.640 2.320 ( 2.477 2.752 -14.104) 14.582 2.320 ( -2.477 2.752 14.104) 14.582 2.526 ( 1.528 -9.597 -9.627) 13.679 2.526 ( -1.528 -9.597 9.627) 13.679 3.467 ( 0.940 0.581 -6.268) 6.364 3.467 ( -0.940 0.581 6.268) 6.364 3.603 ( -0.232 -1.793 -5.565) 5.852 3.603 ( 0.232 -1.793 5.565) 5.852 4.079 ( 0.349 5.623 -3.779) 6.784 4.079 ( -0.349 5.623 3.779) 6.784 4.259 ( -0.707 -2.466 -6.224) 6.733 4.259 ( 0.707 -2.466 6.224) 6.733 4.788 ( -0.258 3.945 -8.315) 9.207 4.788 ( 0.258 3.945 8.315) 9.207 5.083 ( -0.048 -4.915 -9.902) 11.055 5.083 ( 0.048 -4.915 9.902) 11.055 5.980 ( -0.279 -1.031 -0.672) 1.262 5.980 ( 0.279 -1.031 0.672) 1.262 6.201 ( -0.951 -1.180 -1.156) 1.906 6.201 ( 0.951 -1.180 1.156) 1.906 6.508 ( -0.062 2.130 -1.277) 2.485 6.508 ( 0.062 2.130 1.277) 2.485 6.753 ( -1.688 3.656 -2.669) 4.831 6.753 ( 1.688 3.656 2.669) 4.831 7.056 ( -1.396 -1.542 -0.992) 2.304 7.056 ( 1.396 -1.542 0.992) 2.304 7.221 ( -2.153 0.281 -0.021) 2.172 7.221 ( 2.153 0.281 0.021) 2.172 7.531 ( 1.385 6.719 -3.280) 7.604 7.531 ( -1.385 6.719 3.280) 7.604 7.676 ( -1.781 -7.736 -0.946) 7.995 7.676 ( 1.781 -7.736 0.946) 7.995 7.807 ( 0.137 -0.476 -0.357) 0.610 7.807 ( -0.137 -0.476 0.357) 0.610 7.990 ( -0.740 -1.415 -0.784) 1.779 7.990 ( 0.740 -1.415 0.784) 1.779 8.452 ( -0.097 1.654 -3.387) 3.771 8.452 ( 0.097 1.654 3.387) 3.771 8.499 ( 1.505 -0.674 -4.877) 5.148 8.499 ( -1.505 -0.674 4.877) 5.148 8.707 ( -0.097 0.262 -1.892) 1.912 8.707 ( 0.097 0.262 1.892) 1.912 8.851 ( -0.135 -1.851 -1.981) 2.715 8.851 ( 0.135 -1.851 1.981) 2.715 9.951 ( 0.676 1.991 -3.096) 3.743 9.951 ( -0.676 1.991 3.096) 3.743 10.036 ( 0.825 -2.875 -3.521) 4.620 10.036 ( -0.825 -2.875 3.521) 4.620 10.539 ( -2.816 1.224 -2.574) 4.007 10.539 ( 2.816 1.224 2.574) 4.007 10.603 ( -2.066 -1.607 -2.489) 3.612 10.603 ( 2.066 -1.607 2.489) 3.612 11.555 ( -1.890 1.548 -4.408) 5.040 11.555 ( 1.890 1.548 4.408) 5.040 11.782 ( -4.229 -0.025 -5.376) 6.840 11.782 ( 4.229 -0.025 5.376) 6.840 12.368 ( 4.589 1.387 -5.938) 7.632 12.368 ( -4.589 1.387 5.938) 7.632 12.411 ( 2.467 -1.282 -5.061) 5.774 12.411 ( -2.467 -1.282 5.061) 5.774 16.991 ( 1.031 0.797 -4.725) 4.901 16.991 ( -1.031 0.797 4.725) 4.901 17.071 ( 0.957 0.789 -1.031) 1.613 17.071 ( -0.957 0.789 1.031) 1.613 17.612 ( 1.068 2.721 -4.890) 5.697 17.612 ( -1.068 2.721 4.890) 5.697 17.727 ( 0.845 -5.208 -5.812) 7.850 17.727 ( -0.845 -5.208 5.812) 7.850 19.309 ( -1.181 0.537 -1.186) 1.758 19.309 ( 1.181 0.537 1.186) 1.758 19.435 ( 0.564 0.206 -2.107) 2.191 19.435 ( -0.564 0.206 2.107) 2.191 24.123 ( 0.401 7.155 -2.393) 7.555 24.123 ( -0.401 7.155 2.393) 7.555 24.292 ( 0.748 -8.930 -2.323) 9.257 24.292 ( -0.748 -8.930 2.323) 9.257 26.434 ( -2.409 10.137 0.274) 10.423 26.434 ( 2.409 10.137 -0.274) 10.423 26.848 ( 3.970 -7.578 -2.448) 8.898 26.848 ( -3.970 -7.578 2.448) 8.898 28.372 ( 0.167 0.810 -1.332) 1.568 28.372 ( -0.167 0.810 1.332) 1.568 28.422 ( 0.184 -0.640 -0.992) 1.195 28.422 ( -0.184 -0.640 0.992) 1.195 36.056 ( 2.916 10.743 -7.735) 13.555 36.056 ( -2.916 10.743 7.735) 13.555 36.348 ( 1.830 -16.431 -8.185) 18.448 36.348 ( -1.830 -16.431 8.185) 18.448 39.293 ( 0.586 10.021 -12.843) 16.301 39.293 ( -0.586 10.021 12.843) 16.301 39.603 ( 1.388 -4.780 -18.842) 19.488 39.603 ( -1.388 -4.780 18.842) 19.488 ======================= Grid point 202 (108/111) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 5.110 5.271 -9.620) 12.101 1.662 ( 4.255 0.980 -2.841) 5.209 1.751 ( 2.162 6.783 7.925) 10.653 1.818 ( 4.148 1.229 5.273) 6.821 2.290 ( 1.808 5.213 -10.211) 11.606 2.365 ( 0.565 2.215 6.816) 7.189 2.499 ( 0.271 -9.742 -7.585) 12.349 2.547 ( -1.343 -10.689 9.312) 14.240 3.459 ( 2.863 0.988 -10.024) 10.472 3.483 ( 2.585 -1.322 -7.411) 7.959 3.595 ( -0.661 1.451 6.296) 6.495 3.642 ( -0.495 -3.318 9.020) 9.624 4.038 ( -0.804 6.048 -9.431) 11.232 4.075 ( -0.469 4.226 -2.481) 4.923 4.160 ( -4.886 1.105 -8.182) 9.594 4.244 ( -3.817 -4.783 2.019) 6.444 4.797 ( 5.875 5.262 -8.987) 11.957 4.872 ( 6.157 -0.964 -1.001) 6.312 5.112 ( 3.313 0.347 7.129) 7.869 5.199 ( 3.275 -7.018 19.422) 20.909 5.971 ( 1.324 -0.505 -6.092) 6.255 5.986 ( 1.842 -1.826 -5.784) 6.339 6.208 ( 0.464 1.808 6.533) 6.794 6.258 ( 2.172 -3.174 6.773) 7.789 6.475 ( -2.630 3.188 2.613) 4.890 6.518 ( -1.007 -0.854 2.510) 2.836 6.683 ( -3.759 6.692 -1.764) 7.875 6.774 ( -1.231 -1.253 1.404) 2.249 7.027 ( -0.808 2.877 -0.659) 3.060 7.091 ( 1.400 -2.750 0.856) 3.202 7.162 ( -3.364 3.201 -1.013) 4.753 7.238 ( -0.213 -3.763 -1.332) 3.998 7.503 ( -2.214 4.110 2.965) 5.530 7.569 ( 1.510 6.951 -0.306) 7.119 7.590 ( -4.415 -4.419 -0.105) 6.248 7.692 ( -0.826 -3.643 -2.871) 4.711 7.782 ( -0.508 0.340 -5.324) 5.359 7.823 ( 3.125 -4.391 -3.730) 6.554 8.008 ( 1.483 0.314 3.401) 3.724 8.046 ( 2.832 -3.255 5.155) 6.722 8.433 ( 0.126 1.887 -3.755) 4.204 8.461 ( -0.724 -0.704 1.924) 2.173 8.486 ( -0.533 1.044 0.266) 1.202 8.508 ( 0.480 -1.174 -1.961) 2.335 8.689 ( -0.368 0.951 -2.321) 2.535 8.706 ( -0.913 -0.475 1.301) 1.659 8.847 ( 0.232 -0.475 -0.478) 0.713 8.869 ( 0.188 -2.348 3.124) 3.912 9.876 ( -4.854 2.014 1.554) 5.480 9.929 ( -4.215 -2.985 1.448) 5.363 10.024 ( 0.790 1.520 -0.767) 1.877 10.066 ( 0.932 -2.182 -0.339) 2.397 10.491 ( -1.142 3.876 -0.893) 4.138 10.549 ( -0.766 -2.609 -1.538) 3.124 10.673 ( 6.758 -0.241 3.851) 7.781 10.695 ( 5.391 -2.175 3.326) 6.697 11.371 ( -9.439 0.542 -7.717) 12.204 11.399 ( -11.714 -2.587 -7.389) 14.089 11.829 ( 2.439 8.462 6.773) 11.110 11.944 ( 2.265 -2.660 11.656) 12.169 12.241 ( -5.818 4.435 1.640) 7.497 12.325 ( -3.780 -3.992 1.861) 5.804 12.467 ( 3.102 0.186 -4.387) 5.376 12.482 ( 5.951 -1.412 -4.883) 7.826 16.981 ( -0.982 1.696 1.302) 2.353 16.998 ( -0.743 0.116 4.094) 4.162 17.049 ( -0.521 1.881 -3.273) 3.811 17.074 ( 0.852 -0.688 -4.391) 4.526 17.607 ( 0.748 1.902 -2.913) 3.559 17.623 ( -0.061 1.980 2.777) 3.412 17.720 ( 0.835 -3.368 -1.326) 3.715 17.756 ( 0.535 -5.098 4.607) 6.892 19.284 ( -0.189 3.852 -2.276) 4.479 19.343 ( 1.646 -1.225 -0.563) 2.128 19.423 ( -0.542 0.636 1.406) 1.636 19.458 ( 0.684 -1.951 2.686) 3.390 24.117 ( 0.847 8.186 -4.599) 9.428 24.124 ( -0.619 7.302 1.580) 7.496 24.289 ( -0.470 -9.315 1.603) 9.464 24.295 ( 1.619 -9.708 -4.908) 10.998 26.404 ( -0.867 13.567 3.502) 14.039 26.528 ( 5.784 6.348 2.103) 8.841 26.792 ( -2.719 -3.687 0.538) 4.612 26.919 ( 4.997 -11.214 -4.362) 13.028 28.361 ( -0.698 0.914 -0.497) 1.253 28.368 ( -1.038 0.445 1.896) 2.207 28.416 ( -0.262 -0.352 -0.942) 1.039 28.420 ( -0.402 -0.652 0.274) 0.814 36.028 ( -3.232 9.683 6.400) 12.049 36.070 ( 1.689 10.882 -5.550) 12.332 36.285 ( -3.787 -13.212 1.301) 13.805 36.384 ( 0.728 -18.019 0.137) 18.034 39.172 ( -5.958 13.161 -3.224) 14.802 39.359 ( 0.422 -0.584 1.426) 1.597 39.475 ( -5.878 5.074 -5.892) 9.748 39.651 ( -3.790 -7.732 13.950) 16.394 ======================= Grid point 203 (109/111) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 6.157 4.908 -8.194) 11.364 1.725 ( 4.366 1.678 -3.784) 6.017 1.881 ( 6.030 6.242 6.771) 11.008 1.946 ( 6.364 0.508 4.281) 7.687 2.284 ( 3.328 5.726 -12.037) 13.739 2.404 ( -1.069 4.143 9.570) 10.483 2.468 ( 1.292 -11.345 -8.447) 14.203 2.567 ( -1.565 -10.695 8.967) 14.044 3.479 ( 4.923 0.409 -11.623) 12.629 3.500 ( 4.325 -1.670 -11.388) 12.295 3.624 ( -1.103 1.449 9.618) 9.789 3.663 ( -1.585 -2.591 6.921) 7.558 3.961 ( -0.929 5.474 -12.316) 13.509 4.027 ( -5.219 4.928 -2.898) 7.741 4.043 ( -0.975 1.334 -4.828) 5.102 4.163 ( -4.669 -4.740 0.406) 6.666 4.910 ( 9.943 5.159 -8.619) 14.133 5.012 ( 10.430 -4.567 -7.492) 13.630 5.241 ( 2.805 4.328 16.331) 17.126 5.366 ( 2.463 -7.717 21.493) 22.969 5.975 ( 2.811 0.127 -7.352) 7.872 6.004 ( 3.925 -2.675 -7.872) 9.194 6.265 ( 0.700 4.436 7.768) 8.972 6.339 ( 1.719 -1.651 9.039) 9.348 6.439 ( -2.593 1.121 3.195) 4.265 6.500 ( -1.758 -3.386 3.449) 5.143 6.604 ( -3.971 6.456 1.289) 7.688 6.720 ( -4.617 -4.799 1.334) 6.792 7.010 ( -0.969 7.321 -2.416) 7.770 7.090 ( -2.719 4.092 0.781) 4.975 7.116 ( 0.151 -3.189 -1.317) 3.453 7.196 ( -2.919 -6.106 -3.386) 7.567 7.477 ( -2.444 1.011 5.064) 5.713 7.494 ( -4.193 -0.949 2.373) 4.911 7.603 ( 1.467 4.048 -5.044) 6.632 7.641 ( -1.546 -0.955 -6.404) 6.656 7.765 ( 1.328 4.689 -1.072) 4.990 7.881 ( 4.211 -5.399 -1.990) 7.130 8.063 ( 2.293 1.420 1.772) 3.228 8.128 ( 2.995 -4.418 3.442) 6.352 8.413 ( -0.951 2.147 -1.557) 2.818 8.454 ( -0.317 -1.627 0.471) 1.723 8.474 ( -0.777 1.056 -0.201) 1.326 8.501 ( -0.219 -1.589 -0.966) 1.873 8.675 ( 0.511 0.915 -3.665) 3.812 8.691 ( -0.929 -0.396 0.137) 1.019 8.848 ( -0.187 0.670 0.683) 0.975 8.882 ( -0.783 -2.192 3.791) 4.448 9.799 ( -3.832 1.687 2.043) 4.659 9.853 ( -4.195 -3.771 2.073) 6.010 10.032 ( 0.304 2.581 -0.274) 2.613 10.078 ( 0.478 -2.184 0.523) 2.296 10.473 ( -0.442 4.291 -0.634) 4.360 10.538 ( 0.471 -3.282 -1.324) 3.571 10.830 ( 6.155 -1.653 2.947) 7.021 10.831 ( 7.103 -1.545 3.636) 8.128 11.138 ( -10.448 -0.514 -7.123) 12.655 11.164 ( -8.080 -2.787 -5.495) 10.161 11.814 ( -7.642 7.916 4.949) 12.065 11.883 ( -11.050 1.961 5.866) 12.664 12.225 ( 2.404 3.147 0.348) 3.976 12.325 ( 2.648 -6.402 0.942) 6.991 12.495 ( 1.257 2.475 -0.021) 2.776 12.549 ( 2.761 -2.988 -2.618) 4.838 16.968 ( -1.927 2.759 5.062) 6.078 17.004 ( -0.937 -0.474 4.673) 4.790 17.025 ( 0.637 2.113 -6.332) 6.706 17.065 ( 1.100 -1.748 -6.117) 6.456 17.612 ( 1.598 1.216 -3.747) 4.251 17.637 ( 0.197 -0.326 2.397) 2.427 17.742 ( 1.453 -0.624 0.508) 1.661 17.788 ( 0.067 -3.960 5.101) 6.458 19.278 ( 0.855 6.378 -2.925) 7.069 19.357 ( -0.372 2.464 1.339) 2.829 19.431 ( 1.348 -3.285 -1.495) 3.852 19.486 ( 0.061 -4.667 4.942) 6.797 24.107 ( 0.755 9.297 -5.677) 10.919 24.114 ( -1.315 8.127 2.104) 8.497 24.292 ( -0.338 -10.186 2.523) 10.499 24.305 ( 2.844 -10.787 -8.367) 13.945 26.430 ( 1.118 15.928 5.167) 16.782 26.666 ( 6.773 6.285 2.432) 9.555 26.748 ( -1.984 -3.683 0.877) 4.274 26.989 ( 4.746 -13.832 -5.706) 15.698 28.343 ( -1.063 0.851 0.336) 1.402 28.354 ( -1.405 -0.050 2.168) 2.584 28.404 ( -0.355 0.118 -1.199) 1.256 28.410 ( -0.593 -0.420 -0.053) 0.729 36.001 ( -2.981 8.529 6.845) 11.335 36.064 ( 0.600 9.895 -5.301) 11.242 36.226 ( -3.295 -9.803 2.839) 10.724 36.375 ( -1.428 -17.509 -0.958) 17.593 39.048 ( -5.589 13.241 -0.338) 14.376 39.267 ( -5.595 -6.267 -11.924) 14.586 39.395 ( -3.788 10.199 7.939) 13.468 39.604 ( -7.585 -8.668 12.252) 16.816 ======================= Grid point 204 (110/111) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 4.499 4.159 -4.989) 7.901 1.783 ( 2.960 1.717 -2.637) 4.320 2.022 ( 6.078 6.851 1.614) 9.300 2.084 ( 5.484 1.550 2.496) 6.221 2.293 ( 3.839 3.432 -11.723) 12.804 2.406 ( -3.293 -1.267 8.449) 9.156 2.483 ( 3.397 -6.215 -4.788) 8.550 2.572 ( -2.323 -8.736 7.715) 11.884 3.526 ( 5.872 -0.261 -13.141) 14.396 3.534 ( 3.969 -0.936 -7.359) 8.414 3.633 ( -1.669 0.769 5.114) 5.434 3.666 ( -0.763 -2.399 5.130) 5.715 3.897 ( -0.075 4.581 -7.761) 9.012 3.940 ( -2.906 2.840 0.087) 4.064 3.990 ( -2.581 3.014 -2.372) 4.623 4.077 ( -4.449 -3.371 0.286) 5.589 5.076 ( 11.790 5.202 -10.209) 16.440 5.186 ( 11.624 -5.647 -9.310) 15.928 5.353 ( -0.514 5.084 16.759) 17.521 5.483 ( -1.856 -7.617 19.863) 21.355 6.010 ( 4.166 1.435 -5.369) 6.946 6.060 ( 5.675 -3.535 -6.914) 9.618 6.270 ( -2.821 6.384 1.632) 7.167 6.392 ( -1.649 2.093 7.759) 8.203 6.406 ( -1.817 -2.779 1.205) 3.532 6.519 ( -0.982 -6.370 5.893) 8.734 6.554 ( -0.567 5.217 4.566) 6.956 6.652 ( -2.509 -4.752 4.854) 7.241 6.949 ( -2.706 6.368 -4.778) 8.408 7.058 ( -2.486 -0.555 -5.358) 5.933 7.070 ( -2.424 0.004 0.256) 2.437 7.130 ( -1.832 -2.404 -0.752) 3.115 7.457 ( -1.635 0.511 4.526) 4.839 7.467 ( -1.882 -0.381 7.145) 7.398 7.574 ( -0.147 0.347 -9.513) 9.520 7.575 ( -1.441 -0.121 -7.988) 8.118 7.828 ( 3.915 7.748 4.204) 9.646 7.965 ( 4.888 -5.303 0.365) 7.221 8.093 ( 0.434 2.789 -2.198) 3.577 8.182 ( 1.509 -5.379 -0.965) 5.670 8.386 ( -1.506 3.753 2.461) 4.734 8.451 ( -1.233 -2.483 3.461) 4.435 8.462 ( 0.439 1.467 -2.719) 3.121 8.493 ( -0.201 -1.534 -1.201) 1.958 8.668 ( 0.691 0.527 -3.718) 3.818 8.677 ( -0.118 -0.064 -0.864) 0.874 8.848 ( -0.175 0.698 0.612) 0.945 8.877 ( -1.704 -1.698 3.929) 4.606 9.753 ( -2.015 1.003 1.821) 2.896 9.793 ( -3.135 -3.011 1.913) 4.749 10.040 ( 0.607 2.634 0.503) 2.750 10.089 ( 0.246 -2.566 0.358) 2.602 10.475 ( 1.030 4.455 0.552) 4.606 10.559 ( 2.307 -5.081 -0.228) 5.584 10.845 ( -6.241 0.433 -5.633) 8.418 10.911 ( -2.835 -4.858 -4.419) 7.153 11.045 ( 5.552 1.302 2.779) 6.344 11.075 ( 2.959 -1.890 1.830) 3.959 11.623 ( -12.276 6.133 1.600) 13.816 11.673 ( -11.929 1.090 1.171) 12.036 12.292 ( 3.949 3.890 0.480) 5.564 12.385 ( 3.535 -4.934 -2.616) 6.609 12.511 ( -1.131 1.911 4.161) 4.716 12.562 ( -0.654 -2.824 0.368) 2.922 16.962 ( -1.757 3.434 6.866) 7.876 17.002 ( 0.904 2.515 -6.329) 6.870 17.017 ( -0.615 -1.378 3.967) 4.244 17.055 ( 1.122 -2.233 -6.263) 6.743 17.632 ( 2.343 0.575 -3.898) 4.584 17.654 ( 0.391 -1.348 1.883) 2.349 17.773 ( 1.306 0.373 0.652) 1.507 17.807 ( -0.724 -2.511 4.693) 5.372 19.285 ( 1.452 7.873 -3.030) 8.560 19.348 ( -1.652 6.455 2.972) 7.296 19.454 ( 2.234 -6.846 -3.339) 7.937 19.504 ( -0.872 -6.970 4.977) 8.609 24.091 ( -0.259 9.404 -2.135) 9.647 24.098 ( -0.820 8.940 -0.121) 8.979 24.301 ( -0.604 -10.707 4.657) 11.691 24.317 ( 3.214 -11.273 -10.528) 15.756 26.492 ( 2.169 16.793 5.846) 17.913 26.693 ( -1.277 12.127 -4.541) 13.013 26.827 ( 5.259 -9.765 7.902) 13.618 27.033 ( 2.831 -14.932 -6.645) 16.588 28.328 ( -0.736 0.714 0.746) 1.268 28.339 ( -1.158 -0.336 1.892) 2.244 28.391 ( -0.272 0.550 -1.090) 1.251 28.398 ( -0.544 -0.067 -0.320) 0.635 35.986 ( -2.135 7.959 7.145) 10.907 36.042 ( 0.145 9.071 -5.710) 10.720 36.194 ( -1.771 -8.596 4.336) 9.790 36.324 ( -2.598 -15.317 -2.873) 15.799 38.964 ( -3.453 11.830 2.140) 12.508 39.103 ( -5.145 2.133 -9.141) 10.704 39.364 ( -2.347 1.360 3.637) 4.538 39.502 ( -8.050 -8.460 8.883) 14.673 ======================= Grid point 205 (111/111) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.16e-06 1.16e-06 1.16e-06 1.16e-06 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 2.104 3.259 -2.096) 4.409 1.807 ( 0.397 2.331 -0.628) 2.447 2.123 ( 4.286 6.836 -1.854) 8.279 2.156 ( 0.160 5.061 2.546) 5.668 2.321 ( 5.071 -1.281 -10.350) 11.596 2.372 ( -4.713 -3.602 8.574) 10.426 2.527 ( 3.153 -4.710 -3.946) 6.906 2.558 ( -2.682 -6.267 5.931) 9.036 3.550 ( 1.269 0.007 -2.530) 2.830 3.559 ( 1.480 -0.923 -5.919) 6.170 3.650 ( 2.047 0.845 0.981) 2.422 3.678 ( -0.537 -1.936 1.915) 2.776 3.882 ( 0.479 3.674 -0.462) 3.734 3.910 ( -1.135 1.048 -2.059) 2.574 3.940 ( 0.089 3.074 -0.047) 3.076 3.994 ( -4.314 -1.671 0.731) 4.683 5.241 ( 10.765 5.145 -12.733) 17.450 5.321 ( 0.169 0.868 5.215) 5.289 5.399 ( 4.191 -2.183 -2.313) 5.261 5.486 ( -7.204 -7.028 16.187) 19.061 6.075 ( 4.122 2.994 -1.371) 5.276 6.125 ( 1.513 -0.624 -3.370) 3.747 6.231 ( 1.453 2.992 -1.386) 3.603 6.320 ( -6.345 -3.175 2.008) 7.374 6.415 ( 2.070 0.377 -1.172) 2.408 6.468 ( -4.742 -3.030 5.264) 7.706 6.640 ( 3.594 0.848 4.202) 5.594 6.675 ( 0.190 -2.140 4.756) 5.219 6.892 ( -0.602 2.179 -1.259) 2.587 6.942 ( -3.689 -2.765 -6.687) 8.122 7.069 ( 0.468 3.006 0.928) 3.180 7.094 ( -1.594 0.468 -0.575) 1.758 7.464 ( -0.561 0.749 5.862) 5.936 7.475 ( -0.840 -0.227 5.538) 5.606 7.513 ( -1.011 0.261 -4.972) 5.080 7.521 ( 0.042 -0.376 -9.190) 9.198 7.940 ( 4.666 5.941 5.626) 9.419 8.041 ( -1.715 -0.125 -3.396) 3.806 8.076 ( 3.463 -0.949 1.018) 3.733 8.160 ( -2.320 -5.327 -3.993) 7.051 8.398 ( 0.640 3.815 4.838) 6.194 8.438 ( -1.005 1.881 -2.213) 3.073 8.460 ( -0.299 -1.721 3.042) 3.508 8.477 ( -0.116 -1.449 -3.372) 3.672 8.669 ( 1.009 0.612 -2.329) 2.610 8.675 ( -0.180 0.274 0.332) 0.466 8.850 ( 0.620 -0.326 -1.221) 1.408 8.861 ( -1.675 -1.172 3.197) 3.795 9.738 ( -0.156 -0.237 0.681) 0.737 9.753 ( -1.707 -1.688 0.882) 2.558 10.060 ( 1.057 1.253 0.895) 1.868 10.083 ( -0.746 -1.189 -0.606) 1.529 10.529 ( 3.757 3.995 2.806) 6.161 10.608 ( 0.249 -2.926 -0.402) 2.964 10.705 ( -1.922 -0.308 -3.135) 3.690 10.783 ( -5.931 -6.377 -3.837) 9.517 11.205 ( 8.135 1.719 2.500) 8.682 11.225 ( 9.773 -0.439 2.314) 10.053 11.399 ( -10.624 4.450 -0.931) 11.556 11.445 ( -11.558 -0.421 -0.831) 11.595 12.371 ( 3.722 3.684 0.631) 5.274 12.421 ( 0.525 0.356 -2.747) 2.819 12.501 ( 0.203 -1.567 0.518) 1.663 12.535 ( -2.870 -3.219 3.001) 5.254 16.969 ( -1.332 3.597 7.575) 8.490 16.985 ( 1.160 3.348 -7.876) 8.636 17.030 ( -0.744 -2.325 5.699) 6.199 17.044 ( 0.895 -2.440 -5.951) 6.494 17.657 ( 1.954 -0.210 -3.409) 3.935 17.666 ( -0.489 -1.038 2.394) 2.655 17.796 ( 1.161 -0.120 -1.013) 1.545 17.808 ( -1.190 -1.189 3.259) 3.667 19.302 ( 1.930 8.564 -3.002) 9.278 19.326 ( -2.084 8.269 3.112) 9.078 19.481 ( 2.322 -8.269 -3.780) 9.384 19.501 ( -1.825 -8.209 4.281) 9.436 24.080 ( -0.302 9.354 0.450) 9.369 24.084 ( -0.225 9.231 -1.144) 9.305 24.313 ( -1.478 -11.030 7.643) 13.500 24.320 ( 2.560 -11.277 -10.142) 15.381 26.566 ( 2.374 16.020 5.727) 17.178 26.637 ( -2.022 13.904 -5.019) 14.920 26.952 ( 3.284 -11.874 7.693) 14.524 27.024 ( -0.195 -14.207 -7.342) 15.993 28.323 ( -0.026 0.389 0.385) 0.548 28.329 ( -0.628 -0.122 0.790) 1.017 28.385 ( 0.007 0.628 -0.419) 0.755 28.388 ( -0.338 0.315 -0.239) 0.520 35.992 ( -1.074 8.163 7.144) 10.900 36.015 ( 0.321 8.716 -6.643) 10.964 36.205 ( 0.374 -9.977 5.242) 11.276 36.256 ( -2.173 -12.475 -4.635) 13.484 38.941 ( -0.527 9.806 4.327) 10.731 38.988 ( -2.536 6.933 -6.616) 9.913 39.356 ( 1.141 -3.961 -0.863) 4.211 39.404 ( -5.344 -7.034 5.003) 10.152 =================== 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 3/34560 10.0 166.786 333.914 228.067 0.000 -8.597 0.000 3/34560 20.0 55.767 121.950 136.863 0.000 -21.325 0.000 3/34560 30.0 28.687 63.391 81.877 0.000 -13.844 0.000 3/34560 40.0 17.919 39.404 54.986 0.000 -9.556 0.000 3/34560 50.0 12.471 27.121 39.659 0.000 -6.953 0.000 3/34560 60.0 9.274 19.904 30.030 0.000 -5.275 0.000 3/34560 70.0 7.223 15.295 23.637 0.000 -4.152 0.000 3/34560 80.0 5.829 12.184 19.216 0.000 -3.375 0.000 3/34560 90.0 4.840 9.997 16.049 0.000 -2.819 0.000 3/34560 100.0 4.113 8.406 13.709 0.000 -2.408 0.000 3/34560 110.0 3.564 7.215 11.931 0.000 -2.096 0.000 3/34560 120.0 3.139 6.301 10.546 0.000 -1.853 0.000 3/34560 130.0 2.802 5.584 9.443 0.000 -1.659 0.000 3/34560 140.0 2.530 5.010 8.547 0.000 -1.502 0.000 3/34560 150.0 2.306 4.543 7.808 0.000 -1.372 0.000 3/34560 160.0 2.120 4.157 7.189 0.000 -1.263 0.000 3/34560 170.0 1.962 3.833 6.664 0.000 -1.170 0.000 3/34560 180.0 1.827 3.560 6.213 0.000 -1.091 0.000 3/34560 190.0 1.710 3.325 5.822 0.000 -1.022 0.000 3/34560 200.0 1.609 3.123 5.480 0.000 -0.961 0.000 3/34560 210.0 1.519 2.947 5.178 0.000 -0.908 0.000 3/34560 220.0 1.440 2.792 4.910 0.000 -0.860 0.000 3/34560 230.0 1.369 2.655 4.670 0.000 -0.818 0.000 3/34560 240.0 1.305 2.533 4.454 0.000 -0.780 0.000 3/34560 250.0 1.248 2.424 4.259 0.000 -0.745 0.000 3/34560 260.0 1.196 2.326 4.082 0.000 -0.714 0.000 3/34560 270.0 1.148 2.237 3.920 0.000 -0.685 0.000 3/34560 280.0 1.105 2.156 3.772 0.000 -0.659 0.000 3/34560 290.0 1.065 2.082 3.636 0.000 -0.635 0.000 3/34560 300.0 1.028 2.014 3.510 0.000 -0.613 0.000 3/34560 310.0 0.994 1.952 3.393 0.000 -0.592 0.000 3/34560 320.0 0.962 1.894 3.285 0.000 -0.573 0.000 3/34560 330.0 0.933 1.840 3.184 0.000 -0.555 0.000 3/34560 340.0 0.905 1.790 3.090 0.000 -0.538 0.000 3/34560 350.0 0.880 1.743 3.001 0.000 -0.523 0.000 3/34560 360.0 0.855 1.699 2.918 0.000 -0.508 0.000 3/34560 370.0 0.833 1.658 2.840 0.000 -0.494 0.000 3/34560 380.0 0.811 1.619 2.767 0.000 -0.481 0.000 3/34560 390.0 0.791 1.582 2.698 0.000 -0.469 0.000 3/34560 400.0 0.772 1.547 2.632 0.000 -0.457 0.000 3/34560 410.0 0.754 1.514 2.570 0.000 -0.446 0.000 3/34560 420.0 0.737 1.483 2.511 0.000 -0.436 0.000 3/34560 430.0 0.720 1.453 2.455 0.000 -0.426 0.000 3/34560 440.0 0.705 1.425 2.401 0.000 -0.417 0.000 3/34560 450.0 0.690 1.397 2.350 0.000 -0.408 0.000 3/34560 460.0 0.676 1.371 2.302 0.000 -0.399 0.000 3/34560 470.0 0.662 1.346 2.255 0.000 -0.391 0.000 3/34560 480.0 0.650 1.322 2.211 0.000 -0.383 0.000 3/34560 490.0 0.637 1.299 2.168 0.000 -0.376 0.000 3/34560 500.0 0.625 1.277 2.127 0.000 -0.368 0.000 3/34560 510.0 0.614 1.256 2.088 0.000 -0.362 0.000 3/34560 520.0 0.603 1.235 2.050 0.000 -0.355 0.000 3/34560 530.0 0.592 1.215 2.014 0.000 -0.349 0.000 3/34560 540.0 0.582 1.196 1.979 0.000 -0.342 0.000 3/34560 550.0 0.572 1.178 1.946 0.000 -0.337 0.000 3/34560 560.0 0.563 1.160 1.913 0.000 -0.331 0.000 3/34560 570.0 0.554 1.143 1.882 0.000 -0.325 0.000 3/34560 580.0 0.545 1.126 1.852 0.000 -0.320 0.000 3/34560 590.0 0.536 1.110 1.823 0.000 -0.315 0.000 3/34560 600.0 0.528 1.094 1.794 0.000 -0.310 0.000 3/34560 610.0 0.520 1.079 1.767 0.000 -0.305 0.000 3/34560 620.0 0.513 1.064 1.741 0.000 -0.301 0.000 3/34560 630.0 0.505 1.049 1.715 0.000 -0.296 0.000 3/34560 640.0 0.498 1.035 1.690 0.000 -0.292 0.000 3/34560 650.0 0.491 1.022 1.666 0.000 -0.288 0.000 3/34560 660.0 0.484 1.008 1.643 0.000 -0.284 0.000 3/34560 670.0 0.477 0.996 1.620 0.000 -0.280 0.000 3/34560 680.0 0.471 0.983 1.598 0.000 -0.276 0.000 3/34560 690.0 0.465 0.971 1.576 0.000 -0.272 0.000 3/34560 700.0 0.459 0.959 1.556 0.000 -0.268 0.000 3/34560 710.0 0.453 0.947 1.535 0.000 -0.265 0.000 3/34560 720.0 0.447 0.936 1.516 0.000 -0.262 0.000 3/34560 730.0 0.441 0.925 1.496 0.000 -0.258 0.000 3/34560 740.0 0.436 0.914 1.478 0.000 -0.255 0.000 3/34560 750.0 0.430 0.903 1.460 0.000 -0.252 0.000 3/34560 760.0 0.425 0.893 1.442 0.000 -0.249 0.000 3/34560 770.0 0.420 0.883 1.424 0.000 -0.246 0.000 3/34560 780.0 0.415 0.873 1.408 0.000 -0.243 0.000 3/34560 790.0 0.410 0.864 1.391 0.000 -0.240 0.000 3/34560 800.0 0.406 0.854 1.375 0.000 -0.237 0.000 3/34560 810.0 0.401 0.845 1.359 0.000 -0.234 0.000 3/34560 820.0 0.397 0.836 1.344 0.000 -0.232 0.000 3/34560 830.0 0.392 0.827 1.329 0.000 -0.229 0.000 3/34560 840.0 0.388 0.818 1.314 0.000 -0.227 0.000 3/34560 850.0 0.384 0.810 1.300 0.000 -0.224 0.000 3/34560 860.0 0.380 0.802 1.286 0.000 -0.222 0.000 3/34560 870.0 0.376 0.794 1.272 0.000 -0.219 0.000 3/34560 880.0 0.372 0.786 1.259 0.000 -0.217 0.000 3/34560 890.0 0.368 0.778 1.246 0.000 -0.215 0.000 3/34560 900.0 0.364 0.770 1.233 0.000 -0.213 0.000 3/34560 910.0 0.360 0.763 1.220 0.000 -0.210 0.000 3/34560 920.0 0.357 0.755 1.208 0.000 -0.208 0.000 3/34560 930.0 0.353 0.748 1.196 0.000 -0.206 0.000 3/34560 940.0 0.350 0.741 1.184 0.000 -0.204 0.000 3/34560 950.0 0.346 0.734 1.173 0.000 -0.202 0.000 3/34560 960.0 0.343 0.727 1.161 0.000 -0.200 0.000 3/34560 970.0 0.340 0.721 1.150 0.000 -0.198 0.000 3/34560 980.0 0.336 0.714 1.139 0.000 -0.196 0.000 3/34560 990.0 0.333 0.708 1.129 0.000 -0.194 0.000 3/34560 1000.0 0.330 0.701 1.118 0.000 -0.193 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m958.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:36:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|