----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:36:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 6.879524392193589 0.000000000000000 0.000000000000000 b 0.000000000000000 20.001260640000005 0.000000000000000 c -2.149907629861668 0.000000000000000 5.071735385639876 Atomic positions (fractional): *1 P 0.27359105242347 0.33454527602512 0.25233697008791 30.974 2 P 0.72640894757653 0.83454527602512 0.24766302991209 30.974 3 P 0.72640894757653 0.66545472397488 0.74766302991209 30.974 4 P 0.27359105242347 0.16545472397488 0.75233697008791 30.974 *5 P 0.27878603160550 0.45278813905789 0.70566574909837 30.974 6 P 0.72121396839450 0.95278813905789 0.79433425090163 30.974 7 P 0.72121396839450 0.54721186094211 0.29433425090163 30.974 8 P 0.27878603160550 0.04721186094211 0.20566574909837 30.974 *9 Se 0.56070601952778 0.30612764630343 0.62277762409274 78.960 10 Se 0.43929398047222 0.80612764630343 0.87722237590726 78.960 11 Se 0.43929398047222 0.69387235369657 0.37722237590726 78.960 12 Se 0.56070601952778 0.19387235369657 0.12277762409274 78.960 *13 Se 0.57094282190576 0.39175938533496 0.93592963005004 78.960 14 Se 0.42905717809424 0.89175938533496 0.56407036994996 78.960 15 Se 0.42905717809424 0.60824061466504 0.06407036994996 78.960 16 Se 0.57094282190576 0.10824061466504 0.43592963005004 78.960 *17 Se 0.98474455924957 0.39308699050246 0.65424985330623 78.960 18 Se 0.01525544075043 0.89308699050246 0.84575014669377 78.960 19 Se 0.01525544075043 0.60691300949754 0.34575014669377 78.960 20 Se 0.98474455924957 0.10691300949754 0.15424985330623 78.960 *21 Se 0.99079431106800 0.30657749060118 0.35057258761793 78.960 22 Se 0.00920568893200 0.80657749060118 0.14942741238207 78.960 23 Se 0.00920568893200 0.69342250939882 0.64942741238207 78.960 24 Se 0.99079431106800 0.19342250939882 0.85057258761793 78.960 *25 Se 0.27253149179720 0.44836058992358 0.29101251582716 78.960 26 Se 0.72746850820280 0.94836058992358 0.20898748417284 78.960 27 Se 0.72746850820280 0.55163941007642 0.70898748417284 78.960 28 Se 0.27253149179720 0.05163941007642 0.79101251582716 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.879524392193589 0.000000000000000 0.000000000000000 b 0.000000000000000 20.001260640000005 0.000000000000000 c -2.149907629861668 0.000000000000000 5.071735385639876 Atomic positions (fractional): *1 P 0.27359105242347 0.33454527602512 0.25233697008791 30.974 > 1 2 P 0.72640894757653 0.83454527602512 0.24766302991209 30.974 > 2 3 P 0.72640894757653 0.66545472397488 0.74766302991209 30.974 > 3 4 P 0.27359105242347 0.16545472397488 0.75233697008791 30.974 > 4 *5 P 0.27878603160550 0.45278813905789 0.70566574909837 30.974 > 5 6 P 0.72121396839450 0.95278813905789 0.79433425090163 30.974 > 6 7 P 0.72121396839450 0.54721186094211 0.29433425090163 30.974 > 7 8 P 0.27878603160550 0.04721186094211 0.20566574909837 30.974 > 8 *9 Se 0.56070601952778 0.30612764630343 0.62277762409274 78.960 > 9 10 Se 0.43929398047222 0.80612764630343 0.87722237590726 78.960 > 10 11 Se 0.43929398047222 0.69387235369657 0.37722237590726 78.960 > 11 12 Se 0.56070601952778 0.19387235369657 0.12277762409274 78.960 > 12 *13 Se 0.57094282190576 0.39175938533496 0.93592963005004 78.960 > 13 14 Se 0.42905717809424 0.89175938533496 0.56407036994996 78.960 > 14 15 Se 0.42905717809424 0.60824061466504 0.06407036994996 78.960 > 15 16 Se 0.57094282190576 0.10824061466504 0.43592963005004 78.960 > 16 *17 Se 0.98474455924957 0.39308699050246 0.65424985330623 78.960 > 17 18 Se 0.01525544075043 0.89308699050246 0.84575014669377 78.960 > 18 19 Se 0.01525544075043 0.60691300949754 0.34575014669377 78.960 > 19 20 Se 0.98474455924957 0.10691300949754 0.15424985330623 78.960 > 20 *21 Se 0.99079431106800 0.30657749060118 0.35057258761793 78.960 > 21 22 Se 0.00920568893200 0.80657749060118 0.14942741238207 78.960 > 22 23 Se 0.00920568893200 0.69342250939882 0.64942741238207 78.960 > 23 24 Se 0.99079431106800 0.19342250939882 0.85057258761793 78.960 > 24 *25 Se 0.27253149179720 0.44836058992358 0.29101251582716 78.960 > 25 26 Se 0.72746850820280 0.94836058992358 0.20898748417284 78.960 > 26 27 Se 0.72746850820280 0.55163941007642 0.70898748417284 78.960 > 27 28 Se 0.27253149179720 0.05163941007642 0.79101251582716 78.960 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.759048784387177 0.000000000000000 0.000000000000000 b 0.000000000000000 20.001260640000005 0.000000000000000 c -4.299815259723336 0.000000000000000 10.143470771279752 Atomic positions (fractional): *1 P 0.13679552621174 0.33454527602512 0.12616848504396 30.974 > 1 2 P 0.63679552621174 0.33454527602512 0.12616848504396 30.974 > 1 3 P 0.13679552621174 0.33454527602512 0.62616848504396 30.974 > 1 4 P 0.63679552621174 0.33454527602512 0.62616848504396 30.974 > 1 5 P 0.36320447378826 0.83454527602512 0.12383151495604 30.974 > 2 6 P 0.86320447378826 0.83454527602512 0.12383151495604 30.974 > 2 7 P 0.36320447378826 0.83454527602512 0.62383151495604 30.974 > 2 8 P 0.86320447378826 0.83454527602512 0.62383151495604 30.974 > 2 9 P 0.36320447378826 0.66545472397488 0.37383151495604 30.974 > 3 10 P 0.86320447378826 0.66545472397488 0.37383151495604 30.974 > 3 11 P 0.36320447378826 0.66545472397488 0.87383151495604 30.974 > 3 12 P 0.86320447378826 0.66545472397488 0.87383151495604 30.974 > 3 13 P 0.13679552621174 0.16545472397488 0.37616848504396 30.974 > 4 14 P 0.63679552621174 0.16545472397488 0.37616848504396 30.974 > 4 15 P 0.13679552621174 0.16545472397488 0.87616848504396 30.974 > 4 16 P 0.63679552621174 0.16545472397488 0.87616848504396 30.974 > 4 *17 P 0.13939301580275 0.45278813905789 0.35283287454919 30.974 > 5 18 P 0.63939301580275 0.45278813905789 0.35283287454919 30.974 > 5 19 P 0.13939301580275 0.45278813905789 0.85283287454919 30.974 > 5 20 P 0.63939301580275 0.45278813905789 0.85283287454919 30.974 > 5 21 P 0.36060698419725 0.95278813905789 0.39716712545081 30.974 > 6 22 P 0.86060698419725 0.95278813905789 0.39716712545081 30.974 > 6 23 P 0.36060698419725 0.95278813905789 0.89716712545081 30.974 > 6 24 P 0.86060698419725 0.95278813905789 0.89716712545081 30.974 > 6 25 P 0.36060698419725 0.54721186094211 0.14716712545081 30.974 > 7 26 P 0.86060698419725 0.54721186094211 0.14716712545081 30.974 > 7 27 P 0.36060698419725 0.54721186094211 0.64716712545081 30.974 > 7 28 P 0.86060698419725 0.54721186094211 0.64716712545081 30.974 > 7 29 P 0.13939301580275 0.04721186094211 0.10283287454919 30.974 > 8 30 P 0.63939301580275 0.04721186094211 0.10283287454919 30.974 > 8 31 P 0.13939301580275 0.04721186094211 0.60283287454919 30.974 > 8 32 P 0.63939301580275 0.04721186094211 0.60283287454919 30.974 > 8 *33 Se 0.28035300976389 0.30612764630343 0.31138881204637 78.960 > 9 34 Se 0.78035300976389 0.30612764630343 0.31138881204637 78.960 > 9 35 Se 0.28035300976389 0.30612764630343 0.81138881204637 78.960 > 9 36 Se 0.78035300976389 0.30612764630343 0.81138881204637 78.960 > 9 37 Se 0.21964699023611 0.80612764630343 0.43861118795363 78.960 > 10 38 Se 0.71964699023611 0.80612764630343 0.43861118795363 78.960 > 10 39 Se 0.21964699023611 0.80612764630343 0.93861118795363 78.960 > 10 40 Se 0.71964699023611 0.80612764630343 0.93861118795363 78.960 > 10 41 Se 0.21964699023611 0.69387235369657 0.18861118795363 78.960 > 11 42 Se 0.71964699023611 0.69387235369657 0.18861118795363 78.960 > 11 43 Se 0.21964699023611 0.69387235369657 0.68861118795363 78.960 > 11 44 Se 0.71964699023611 0.69387235369657 0.68861118795363 78.960 > 11 45 Se 0.28035300976389 0.19387235369657 0.06138881204637 78.960 > 12 46 Se 0.78035300976389 0.19387235369657 0.06138881204637 78.960 > 12 47 Se 0.28035300976389 0.19387235369657 0.56138881204637 78.960 > 12 48 Se 0.78035300976389 0.19387235369657 0.56138881204637 78.960 > 12 *49 Se 0.28547141095288 0.39175938533496 0.46796481502502 78.960 > 13 50 Se 0.78547141095288 0.39175938533496 0.46796481502502 78.960 > 13 51 Se 0.28547141095288 0.39175938533496 0.96796481502502 78.960 > 13 52 Se 0.78547141095288 0.39175938533496 0.96796481502502 78.960 > 13 53 Se 0.21452858904712 0.89175938533496 0.28203518497498 78.960 > 14 54 Se 0.71452858904712 0.89175938533496 0.28203518497498 78.960 > 14 55 Se 0.21452858904712 0.89175938533496 0.78203518497498 78.960 > 14 56 Se 0.71452858904712 0.89175938533496 0.78203518497498 78.960 > 14 57 Se 0.21452858904712 0.60824061466504 0.03203518497498 78.960 > 15 58 Se 0.71452858904712 0.60824061466504 0.03203518497498 78.960 > 15 59 Se 0.21452858904712 0.60824061466504 0.53203518497498 78.960 > 15 60 Se 0.71452858904712 0.60824061466504 0.53203518497498 78.960 > 15 61 Se 0.28547141095288 0.10824061466504 0.21796481502502 78.960 > 16 62 Se 0.78547141095288 0.10824061466504 0.21796481502502 78.960 > 16 63 Se 0.28547141095288 0.10824061466504 0.71796481502502 78.960 > 16 64 Se 0.78547141095288 0.10824061466504 0.71796481502502 78.960 > 16 *65 Se 0.49237227962479 0.39308699050246 0.32712492665312 78.960 > 17 66 Se 0.99237227962479 0.39308699050246 0.32712492665312 78.960 > 17 67 Se 0.49237227962479 0.39308699050246 0.82712492665312 78.960 > 17 68 Se 0.99237227962479 0.39308699050246 0.82712492665312 78.960 > 17 69 Se 0.00762772037521 0.89308699050246 0.42287507334688 78.960 > 18 70 Se 0.50762772037521 0.89308699050246 0.42287507334688 78.960 > 18 71 Se 0.00762772037521 0.89308699050246 0.92287507334688 78.960 > 18 72 Se 0.50762772037521 0.89308699050246 0.92287507334688 78.960 > 18 73 Se 0.00762772037521 0.60691300949754 0.17287507334688 78.960 > 19 74 Se 0.50762772037521 0.60691300949754 0.17287507334688 78.960 > 19 75 Se 0.00762772037521 0.60691300949754 0.67287507334688 78.960 > 19 76 Se 0.50762772037521 0.60691300949754 0.67287507334688 78.960 > 19 77 Se 0.49237227962479 0.10691300949754 0.07712492665312 78.960 > 20 78 Se 0.99237227962479 0.10691300949754 0.07712492665312 78.960 > 20 79 Se 0.49237227962479 0.10691300949754 0.57712492665312 78.960 > 20 80 Se 0.99237227962479 0.10691300949754 0.57712492665312 78.960 > 20 *81 Se 0.49539715553400 0.30657749060118 0.17528629380896 78.960 > 21 82 Se 0.99539715553400 0.30657749060118 0.17528629380896 78.960 > 21 83 Se 0.49539715553400 0.30657749060118 0.67528629380896 78.960 > 21 84 Se 0.99539715553400 0.30657749060118 0.67528629380896 78.960 > 21 85 Se 0.00460284446600 0.80657749060118 0.07471370619103 78.960 > 22 86 Se 0.50460284446600 0.80657749060118 0.07471370619103 78.960 > 22 87 Se 0.00460284446600 0.80657749060118 0.57471370619104 78.960 > 22 88 Se 0.50460284446600 0.80657749060118 0.57471370619104 78.960 > 22 89 Se 0.00460284446600 0.69342250939882 0.32471370619104 78.960 > 23 90 Se 0.50460284446600 0.69342250939882 0.32471370619104 78.960 > 23 91 Se 0.00460284446600 0.69342250939882 0.82471370619104 78.960 > 23 92 Se 0.50460284446600 0.69342250939882 0.82471370619104 78.960 > 23 93 Se 0.49539715553400 0.19342250939882 0.42528629380896 78.960 > 24 94 Se 0.99539715553400 0.19342250939882 0.42528629380896 78.960 > 24 95 Se 0.49539715553400 0.19342250939882 0.92528629380896 78.960 > 24 96 Se 0.99539715553400 0.19342250939882 0.92528629380896 78.960 > 24 *97 Se 0.13626574589860 0.44836058992358 0.14550625791358 78.960 > 25 98 Se 0.63626574589860 0.44836058992358 0.14550625791358 78.960 > 25 99 Se 0.13626574589860 0.44836058992358 0.64550625791358 78.960 > 25 100 Se 0.63626574589860 0.44836058992358 0.64550625791358 78.960 > 25 101 Se 0.36373425410140 0.94836058992358 0.10449374208642 78.960 > 26 102 Se 0.86373425410140 0.94836058992358 0.10449374208642 78.960 > 26 103 Se 0.36373425410140 0.94836058992358 0.60449374208642 78.960 > 26 104 Se 0.86373425410140 0.94836058992358 0.60449374208642 78.960 > 26 105 Se 0.36373425410140 0.55163941007642 0.35449374208642 78.960 > 27 106 Se 0.86373425410140 0.55163941007642 0.35449374208642 78.960 > 27 107 Se 0.36373425410140 0.55163941007642 0.85449374208642 78.960 > 27 108 Se 0.86373425410140 0.55163941007642 0.85449374208642 78.960 > 27 109 Se 0.13626574589860 0.05163941007642 0.39550625791358 78.960 > 28 110 Se 0.63626574589860 0.05163941007642 0.39550625791358 78.960 > 28 111 Se 0.13626574589860 0.05163941007642 0.89550625791358 78.960 > 28 112 Se 0.63626574589860 0.05163941007642 0.89550625791358 78.960 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4600908 0.0000000 -0.4892173 0.0000000 9.6960644 0.0000000 -0.4892299 0.0000000 11.1313394 -------------------------- Born effective charges -------------------------- 1 P 1.6815968 0.2360067 0.1471047 0.0116729 0.9983700 -0.0685885 0.0098660 -0.5979412 1.9119336 2 P 1.6815968 -0.2360067 0.1471047 -0.0116729 0.9983700 0.0685885 0.0098660 0.5979412 1.9119336 3 P 1.6815968 0.2360067 0.1471047 0.0116729 0.9983700 -0.0685885 0.0098660 -0.5979412 1.9119336 4 P 1.6815968 -0.2360067 0.1471047 -0.0116729 0.9983700 0.0685885 0.0098660 0.5979412 1.9119336 5 P 0.8591999 -0.0938977 -0.1108932 -0.1122613 0.6018069 -0.3298031 -0.1977817 -0.0244315 0.8167244 6 P 0.8591999 0.0938977 -0.1108932 0.1122613 0.6018069 0.3298031 -0.1977817 0.0244315 0.8167244 7 P 0.8591999 -0.0938977 -0.1108932 -0.1122613 0.6018069 -0.3298031 -0.1977817 -0.0244315 0.8167244 8 P 0.8591999 0.0938977 -0.1108932 0.1122613 0.6018069 0.3298031 -0.1977817 0.0244315 0.8167244 9 Se -0.9942207 -0.3417101 -0.3733860 -0.5427699 -0.3524552 0.8767259 -0.6047748 0.5272222 -0.9079357 10 Se -0.9942207 0.3417101 -0.3733860 0.5427699 -0.3524552 -0.8767259 -0.6047748 -0.5272222 -0.9079357 11 Se -0.9942207 -0.3417101 -0.3733860 -0.5427699 -0.3524552 0.8767259 -0.6047748 0.5272222 -0.9079357 12 Se -0.9942207 0.3417101 -0.3733860 0.5427699 -0.3524552 -0.8767259 -0.6047748 -0.5272222 -0.9079357 13 Se -0.3260706 -0.4496660 0.7176463 0.1319663 -0.0549061 0.0563992 0.7192808 0.2918506 0.0991758 14 Se -0.3260706 0.4496660 0.7176463 -0.1319663 -0.0549061 -0.0563992 0.7192808 -0.2918506 0.0991758 15 Se -0.3260706 -0.4496660 0.7176463 0.1319663 -0.0549061 0.0563992 0.7192808 0.2918506 0.0991758 16 Se -0.3260706 0.4496660 0.7176463 -0.1319663 -0.0549061 -0.0563992 0.7192808 -0.2918506 0.0991758 17 Se 0.6989667 0.3028346 -0.1182725 0.2184332 -0.2430056 0.0504379 -0.0720632 0.4974324 -0.6389652 18 Se 0.6989667 -0.3028346 -0.1182725 -0.2184332 -0.2430056 -0.0504379 -0.0720632 -0.4974324 -0.6389652 19 Se 0.6989667 0.3028346 -0.1182725 0.2184332 -0.2430056 0.0504379 -0.0720632 0.4974324 -0.6389652 20 Se 0.6989667 -0.3028346 -0.1182725 -0.2184332 -0.2430056 -0.0504379 -0.0720632 -0.4974324 -0.6389652 21 Se -1.2806316 -0.2396334 -0.3005273 -0.3603412 -0.3457874 1.0213551 0.1103078 0.6196526 -0.5555697 22 Se -1.2806316 0.2396334 -0.3005273 0.3603412 -0.3457874 -1.0213551 0.1103078 -0.6196526 -0.5555697 23 Se -1.2806316 -0.2396334 -0.3005273 -0.3603412 -0.3457874 1.0213551 0.1103078 0.6196526 -0.5555697 24 Se -1.2806316 0.2396334 -0.3005273 0.3603412 -0.3457874 -1.0213551 0.1103078 -0.6196526 -0.5555697 25 Se -0.6388405 0.1525159 0.0383279 0.0260986 -0.6040227 -0.0850695 0.0351651 -0.2937795 -0.7253631 26 Se -0.6388405 -0.1525159 0.0383279 -0.0260986 -0.6040227 0.0850695 0.0351651 0.2937795 -0.7253631 27 Se -0.6388405 0.1525159 0.0383279 0.0260986 -0.6040227 -0.0850695 0.0351651 -0.2937795 -0.7253631 28 Se -0.6388405 -0.1525159 0.0383279 -0.0260986 -0.6040227 0.0850695 0.0351651 0.2937795 -0.7253631 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.564 Solver_block: 200 / 880 - Time: 0.949 Solver_block: 300 / 880 - Time: 0.953 Solver_block: 400 / 880 - Time: 0.945 Solver_block: 500 / 880 - Time: 0.920 Solver_block: 600 / 880 - Time: 0.910 Solver_block: 700 / 880 - Time: 0.920 Solver_block: 800 / 880 - Time: 0.930 Solver_block: 880 / 880 - Time: 1.022 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.633 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 07:37:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:37:21]------------------------- 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 6.879524392193589 0.000000000000000 0.000000000000000 b 0.000000000000000 20.001260640000005 0.000000000000000 c -2.149907629861668 0.000000000000000 5.071735385639876 Atomic positions (fractional): 1 P 0.27359105242347 0.33454527602512 0.25233697008791 30.974 2 P 0.72640894757653 0.83454527602512 0.24766302991209 30.974 3 P 0.72640894757653 0.66545472397488 0.74766302991209 30.974 4 P 0.27359105242347 0.16545472397488 0.75233697008791 30.974 5 P 0.27878603160550 0.45278813905789 0.70566574909837 30.974 6 P 0.72121396839450 0.95278813905789 0.79433425090163 30.974 7 P 0.72121396839450 0.54721186094211 0.29433425090163 30.974 8 P 0.27878603160550 0.04721186094211 0.20566574909837 30.974 9 Se 0.56070601952778 0.30612764630343 0.62277762409274 78.960 10 Se 0.43929398047222 0.80612764630343 0.87722237590726 78.960 11 Se 0.43929398047222 0.69387235369657 0.37722237590726 78.960 12 Se 0.56070601952778 0.19387235369657 0.12277762409274 78.960 13 Se 0.57094282190576 0.39175938533496 0.93592963005004 78.960 14 Se 0.42905717809424 0.89175938533496 0.56407036994996 78.960 15 Se 0.42905717809424 0.60824061466504 0.06407036994996 78.960 16 Se 0.57094282190576 0.10824061466504 0.43592963005004 78.960 17 Se 0.98474455924957 0.39308699050246 0.65424985330623 78.960 18 Se 0.01525544075043 0.89308699050246 0.84575014669377 78.960 19 Se 0.01525544075043 0.60691300949754 0.34575014669377 78.960 20 Se 0.98474455924957 0.10691300949754 0.15424985330623 78.960 21 Se 0.99079431106800 0.30657749060118 0.35057258761793 78.960 22 Se 0.00920568893200 0.80657749060118 0.14942741238207 78.960 23 Se 0.00920568893200 0.69342250939882 0.64942741238207 78.960 24 Se 0.99079431106800 0.19342250939882 0.85057258761793 78.960 25 Se 0.27253149179720 0.44836058992358 0.29101251582716 78.960 26 Se 0.72746850820280 0.94836058992358 0.20898748417284 78.960 27 Se 0.72746850820280 0.55163941007642 0.70898748417284 78.960 28 Se 0.27253149179720 0.05163941007642 0.79101251582716 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.759048784387177 0.000000000000000 0.000000000000000 b 0.000000000000000 20.001260640000005 0.000000000000000 c -4.299815259723336 0.000000000000000 10.143470771279752 Atomic positions (fractional): 1 P 0.13679552621174 0.33454527602512 0.12616848504396 30.974 > 1 2 P 0.63679552621174 0.33454527602512 0.12616848504396 30.974 > 1 3 P 0.13679552621174 0.33454527602512 0.62616848504396 30.974 > 1 4 P 0.63679552621174 0.33454527602512 0.62616848504396 30.974 > 1 5 P 0.36320447378826 0.83454527602512 0.12383151495604 30.974 > 5 6 P 0.86320447378826 0.83454527602512 0.12383151495604 30.974 > 5 7 P 0.36320447378826 0.83454527602512 0.62383151495604 30.974 > 5 8 P 0.86320447378826 0.83454527602512 0.62383151495604 30.974 > 5 9 P 0.36320447378826 0.66545472397488 0.37383151495604 30.974 > 9 10 P 0.86320447378826 0.66545472397488 0.37383151495604 30.974 > 9 11 P 0.36320447378826 0.66545472397488 0.87383151495604 30.974 > 9 12 P 0.86320447378826 0.66545472397488 0.87383151495604 30.974 > 9 13 P 0.13679552621174 0.16545472397488 0.37616848504396 30.974 > 13 14 P 0.63679552621174 0.16545472397488 0.37616848504396 30.974 > 13 15 P 0.13679552621174 0.16545472397488 0.87616848504396 30.974 > 13 16 P 0.63679552621174 0.16545472397488 0.87616848504396 30.974 > 13 17 P 0.13939301580275 0.45278813905789 0.35283287454919 30.974 > 17 18 P 0.63939301580275 0.45278813905789 0.35283287454919 30.974 > 17 19 P 0.13939301580275 0.45278813905789 0.85283287454919 30.974 > 17 20 P 0.63939301580275 0.45278813905789 0.85283287454919 30.974 > 17 21 P 0.36060698419725 0.95278813905789 0.39716712545081 30.974 > 21 22 P 0.86060698419725 0.95278813905789 0.39716712545081 30.974 > 21 23 P 0.36060698419725 0.95278813905789 0.89716712545081 30.974 > 21 24 P 0.86060698419725 0.95278813905789 0.89716712545081 30.974 > 21 25 P 0.36060698419725 0.54721186094211 0.14716712545081 30.974 > 25 26 P 0.86060698419725 0.54721186094211 0.14716712545081 30.974 > 25 27 P 0.36060698419725 0.54721186094211 0.64716712545081 30.974 > 25 28 P 0.86060698419725 0.54721186094211 0.64716712545081 30.974 > 25 29 P 0.13939301580275 0.04721186094211 0.10283287454919 30.974 > 29 30 P 0.63939301580275 0.04721186094211 0.10283287454919 30.974 > 29 31 P 0.13939301580275 0.04721186094211 0.60283287454919 30.974 > 29 32 P 0.63939301580275 0.04721186094211 0.60283287454919 30.974 > 29 33 Se 0.28035300976389 0.30612764630343 0.31138881204637 78.960 > 33 34 Se 0.78035300976389 0.30612764630343 0.31138881204637 78.960 > 33 35 Se 0.28035300976389 0.30612764630343 0.81138881204637 78.960 > 33 36 Se 0.78035300976389 0.30612764630343 0.81138881204637 78.960 > 33 37 Se 0.21964699023611 0.80612764630343 0.43861118795363 78.960 > 37 38 Se 0.71964699023611 0.80612764630343 0.43861118795363 78.960 > 37 39 Se 0.21964699023611 0.80612764630343 0.93861118795363 78.960 > 37 40 Se 0.71964699023611 0.80612764630343 0.93861118795363 78.960 > 37 41 Se 0.21964699023611 0.69387235369657 0.18861118795363 78.960 > 41 42 Se 0.71964699023611 0.69387235369657 0.18861118795363 78.960 > 41 43 Se 0.21964699023611 0.69387235369657 0.68861118795363 78.960 > 41 44 Se 0.71964699023611 0.69387235369657 0.68861118795363 78.960 > 41 45 Se 0.28035300976389 0.19387235369657 0.06138881204637 78.960 > 45 46 Se 0.78035300976389 0.19387235369657 0.06138881204637 78.960 > 45 47 Se 0.28035300976389 0.19387235369657 0.56138881204637 78.960 > 45 48 Se 0.78035300976389 0.19387235369657 0.56138881204637 78.960 > 45 49 Se 0.28547141095288 0.39175938533496 0.46796481502502 78.960 > 49 50 Se 0.78547141095288 0.39175938533496 0.46796481502502 78.960 > 49 51 Se 0.28547141095288 0.39175938533496 0.96796481502502 78.960 > 49 52 Se 0.78547141095288 0.39175938533496 0.96796481502502 78.960 > 49 53 Se 0.21452858904712 0.89175938533496 0.28203518497498 78.960 > 53 54 Se 0.71452858904712 0.89175938533496 0.28203518497498 78.960 > 53 55 Se 0.21452858904712 0.89175938533496 0.78203518497498 78.960 > 53 56 Se 0.71452858904712 0.89175938533496 0.78203518497498 78.960 > 53 57 Se 0.21452858904712 0.60824061466504 0.03203518497498 78.960 > 57 58 Se 0.71452858904712 0.60824061466504 0.03203518497498 78.960 > 57 59 Se 0.21452858904712 0.60824061466504 0.53203518497498 78.960 > 57 60 Se 0.71452858904712 0.60824061466504 0.53203518497498 78.960 > 57 61 Se 0.28547141095288 0.10824061466504 0.21796481502502 78.960 > 61 62 Se 0.78547141095288 0.10824061466504 0.21796481502502 78.960 > 61 63 Se 0.28547141095288 0.10824061466504 0.71796481502502 78.960 > 61 64 Se 0.78547141095288 0.10824061466504 0.71796481502502 78.960 > 61 65 Se 0.49237227962479 0.39308699050246 0.32712492665312 78.960 > 65 66 Se 0.99237227962479 0.39308699050246 0.32712492665312 78.960 > 65 67 Se 0.49237227962479 0.39308699050246 0.82712492665312 78.960 > 65 68 Se 0.99237227962479 0.39308699050246 0.82712492665312 78.960 > 65 69 Se 0.00762772037521 0.89308699050246 0.42287507334688 78.960 > 69 70 Se 0.50762772037521 0.89308699050246 0.42287507334688 78.960 > 69 71 Se 0.00762772037521 0.89308699050246 0.92287507334688 78.960 > 69 72 Se 0.50762772037521 0.89308699050246 0.92287507334688 78.960 > 69 73 Se 0.00762772037521 0.60691300949754 0.17287507334688 78.960 > 73 74 Se 0.50762772037521 0.60691300949754 0.17287507334688 78.960 > 73 75 Se 0.00762772037521 0.60691300949754 0.67287507334688 78.960 > 73 76 Se 0.50762772037521 0.60691300949754 0.67287507334688 78.960 > 73 77 Se 0.49237227962479 0.10691300949754 0.07712492665312 78.960 > 77 78 Se 0.99237227962479 0.10691300949754 0.07712492665312 78.960 > 77 79 Se 0.49237227962479 0.10691300949754 0.57712492665312 78.960 > 77 80 Se 0.99237227962479 0.10691300949754 0.57712492665312 78.960 > 77 81 Se 0.49539715553400 0.30657749060118 0.17528629380896 78.960 > 81 82 Se 0.99539715553400 0.30657749060118 0.17528629380896 78.960 > 81 83 Se 0.49539715553400 0.30657749060118 0.67528629380896 78.960 > 81 84 Se 0.99539715553400 0.30657749060118 0.67528629380896 78.960 > 81 85 Se 0.00460284446600 0.80657749060118 0.07471370619103 78.960 > 85 86 Se 0.50460284446600 0.80657749060118 0.07471370619103 78.960 > 85 87 Se 0.00460284446600 0.80657749060118 0.57471370619104 78.960 > 85 88 Se 0.50460284446600 0.80657749060118 0.57471370619104 78.960 > 85 89 Se 0.00460284446600 0.69342250939882 0.32471370619104 78.960 > 89 90 Se 0.50460284446600 0.69342250939882 0.32471370619104 78.960 > 89 91 Se 0.00460284446600 0.69342250939882 0.82471370619104 78.960 > 89 92 Se 0.50460284446600 0.69342250939882 0.82471370619104 78.960 > 89 93 Se 0.49539715553400 0.19342250939882 0.42528629380896 78.960 > 93 94 Se 0.99539715553400 0.19342250939882 0.42528629380896 78.960 > 93 95 Se 0.49539715553400 0.19342250939882 0.92528629380896 78.960 > 93 96 Se 0.99539715553400 0.19342250939882 0.92528629380896 78.960 > 93 97 Se 0.13626574589860 0.44836058992358 0.14550625791358 78.960 > 97 98 Se 0.63626574589860 0.44836058992358 0.14550625791358 78.960 > 97 99 Se 0.13626574589860 0.44836058992358 0.64550625791358 78.960 > 97 100 Se 0.63626574589860 0.44836058992358 0.64550625791358 78.960 > 97 101 Se 0.36373425410140 0.94836058992358 0.10449374208642 78.960 > 101 102 Se 0.86373425410140 0.94836058992358 0.10449374208642 78.960 > 101 103 Se 0.36373425410140 0.94836058992358 0.60449374208642 78.960 > 101 104 Se 0.86373425410140 0.94836058992358 0.60449374208642 78.960 > 101 105 Se 0.36373425410140 0.55163941007642 0.35449374208642 78.960 > 105 106 Se 0.86373425410140 0.55163941007642 0.35449374208642 78.960 > 105 107 Se 0.36373425410140 0.55163941007642 0.85449374208642 78.960 > 105 108 Se 0.86373425410140 0.55163941007642 0.85449374208642 78.960 > 105 109 Se 0.13626574589860 0.05163941007642 0.39550625791358 78.960 > 109 110 Se 0.63626574589860 0.05163941007642 0.39550625791358 78.960 > 109 111 Se 0.13626574589860 0.05163941007642 0.89550625791358 78.960 > 109 112 Se 0.63626574589860 0.05163941007642 0.89550625791358 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.4600908 0.0000000 -0.4892173 0.0000000 9.6960644 0.0000000 -0.4892299 0.0000000 11.1313394 -------------------------- Born effective charges -------------------------- 1 P 1.6815968 0.2360067 0.1471047 0.0116729 0.9983700 -0.0685885 0.0098660 -0.5979412 1.9119336 2 P 1.6815968 -0.2360067 0.1471047 -0.0116729 0.9983700 0.0685885 0.0098660 0.5979412 1.9119336 3 P 1.6815968 0.2360067 0.1471047 0.0116729 0.9983700 -0.0685885 0.0098660 -0.5979412 1.9119336 4 P 1.6815968 -0.2360067 0.1471047 -0.0116729 0.9983700 0.0685885 0.0098660 0.5979412 1.9119336 5 P 0.8591999 -0.0938977 -0.1108932 -0.1122613 0.6018069 -0.3298031 -0.1977817 -0.0244315 0.8167244 6 P 0.8591999 0.0938977 -0.1108932 0.1122613 0.6018069 0.3298031 -0.1977817 0.0244315 0.8167244 7 P 0.8591999 -0.0938977 -0.1108932 -0.1122613 0.6018069 -0.3298031 -0.1977817 -0.0244315 0.8167244 8 P 0.8591999 0.0938977 -0.1108932 0.1122613 0.6018069 0.3298031 -0.1977817 0.0244315 0.8167244 9 Se -0.9942207 -0.3417101 -0.3733860 -0.5427699 -0.3524552 0.8767259 -0.6047748 0.5272222 -0.9079357 10 Se -0.9942207 0.3417101 -0.3733860 0.5427699 -0.3524552 -0.8767259 -0.6047748 -0.5272222 -0.9079357 11 Se -0.9942207 -0.3417101 -0.3733860 -0.5427699 -0.3524552 0.8767259 -0.6047748 0.5272222 -0.9079357 12 Se -0.9942207 0.3417101 -0.3733860 0.5427699 -0.3524552 -0.8767259 -0.6047748 -0.5272222 -0.9079357 13 Se -0.3260706 -0.4496660 0.7176463 0.1319663 -0.0549061 0.0563992 0.7192808 0.2918506 0.0991758 14 Se -0.3260706 0.4496660 0.7176463 -0.1319663 -0.0549061 -0.0563992 0.7192808 -0.2918506 0.0991758 15 Se -0.3260706 -0.4496660 0.7176463 0.1319663 -0.0549061 0.0563992 0.7192808 0.2918506 0.0991758 16 Se -0.3260706 0.4496660 0.7176463 -0.1319663 -0.0549061 -0.0563992 0.7192808 -0.2918506 0.0991758 17 Se 0.6989667 0.3028346 -0.1182725 0.2184332 -0.2430056 0.0504379 -0.0720632 0.4974324 -0.6389652 18 Se 0.6989667 -0.3028346 -0.1182725 -0.2184332 -0.2430056 -0.0504379 -0.0720632 -0.4974324 -0.6389652 19 Se 0.6989667 0.3028346 -0.1182725 0.2184332 -0.2430056 0.0504379 -0.0720632 0.4974324 -0.6389652 20 Se 0.6989667 -0.3028346 -0.1182725 -0.2184332 -0.2430056 -0.0504379 -0.0720632 -0.4974324 -0.6389652 21 Se -1.2806316 -0.2396334 -0.3005273 -0.3603412 -0.3457874 1.0213551 0.1103078 0.6196526 -0.5555697 22 Se -1.2806316 0.2396334 -0.3005273 0.3603412 -0.3457874 -1.0213551 0.1103078 -0.6196526 -0.5555697 23 Se -1.2806316 -0.2396334 -0.3005273 -0.3603412 -0.3457874 1.0213551 0.1103078 0.6196526 -0.5555697 24 Se -1.2806316 0.2396334 -0.3005273 0.3603412 -0.3457874 -1.0213551 0.1103078 -0.6196526 -0.5555697 25 Se -0.6388405 0.1525159 0.0383279 0.0260986 -0.6040227 -0.0850695 0.0351651 -0.2937795 -0.7253631 26 Se -0.6388405 -0.1525159 0.0383279 -0.0260986 -0.6040227 0.0850695 0.0351651 0.2937795 -0.7253631 27 Se -0.6388405 0.1525159 0.0383279 0.0260986 -0.6040227 -0.0850695 0.0351651 -0.2937795 -0.7253631 28 Se -0.6388405 -0.1525159 0.0383279 -0.0260986 -0.6040227 0.0850695 0.0351651 0.2937795 -0.7253631 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yz) -0.00000002 (yz) 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 07:37:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:37:56]------------------------- 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 6.879524392193589 0.000000000000000 0.000000000000000 b 0.000000000000000 20.001260640000005 0.000000000000000 c -2.149907629861668 0.000000000000000 5.071735385639876 Atomic positions (fractional): 1 P 0.27359105242347 0.33454527602512 0.25233697008791 30.974 2 P 0.72640894757653 0.83454527602512 0.24766302991209 30.974 3 P 0.72640894757653 0.66545472397488 0.74766302991209 30.974 4 P 0.27359105242347 0.16545472397488 0.75233697008791 30.974 5 P 0.27878603160550 0.45278813905789 0.70566574909837 30.974 6 P 0.72121396839450 0.95278813905789 0.79433425090163 30.974 7 P 0.72121396839450 0.54721186094211 0.29433425090163 30.974 8 P 0.27878603160550 0.04721186094211 0.20566574909837 30.974 9 Se 0.56070601952778 0.30612764630343 0.62277762409274 78.960 10 Se 0.43929398047222 0.80612764630343 0.87722237590726 78.960 11 Se 0.43929398047222 0.69387235369657 0.37722237590726 78.960 12 Se 0.56070601952778 0.19387235369657 0.12277762409274 78.960 13 Se 0.57094282190576 0.39175938533496 0.93592963005004 78.960 14 Se 0.42905717809424 0.89175938533496 0.56407036994996 78.960 15 Se 0.42905717809424 0.60824061466504 0.06407036994996 78.960 16 Se 0.57094282190576 0.10824061466504 0.43592963005004 78.960 17 Se 0.98474455924957 0.39308699050246 0.65424985330623 78.960 18 Se 0.01525544075043 0.89308699050246 0.84575014669377 78.960 19 Se 0.01525544075043 0.60691300949754 0.34575014669377 78.960 20 Se 0.98474455924957 0.10691300949754 0.15424985330623 78.960 21 Se 0.99079431106800 0.30657749060118 0.35057258761793 78.960 22 Se 0.00920568893200 0.80657749060118 0.14942741238207 78.960 23 Se 0.00920568893200 0.69342250939882 0.64942741238207 78.960 24 Se 0.99079431106800 0.19342250939882 0.85057258761793 78.960 25 Se 0.27253149179720 0.44836058992358 0.29101251582716 78.960 26 Se 0.72746850820280 0.94836058992358 0.20898748417284 78.960 27 Se 0.72746850820280 0.55163941007642 0.70898748417284 78.960 28 Se 0.27253149179720 0.05163941007642 0.79101251582716 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.759048784387177 0.000000000000000 0.000000000000000 b 0.000000000000000 20.001260640000005 0.000000000000000 c -4.299815259723336 0.000000000000000 10.143470771279752 Atomic positions (fractional): 1 P 0.13679552621174 0.33454527602512 0.12616848504396 30.974 > 1 2 P 0.63679552621174 0.33454527602512 0.12616848504396 30.974 > 1 3 P 0.13679552621174 0.33454527602512 0.62616848504396 30.974 > 1 4 P 0.63679552621174 0.33454527602512 0.62616848504396 30.974 > 1 5 P 0.36320447378826 0.83454527602512 0.12383151495604 30.974 > 5 6 P 0.86320447378826 0.83454527602512 0.12383151495604 30.974 > 5 7 P 0.36320447378826 0.83454527602512 0.62383151495604 30.974 > 5 8 P 0.86320447378826 0.83454527602512 0.62383151495604 30.974 > 5 9 P 0.36320447378826 0.66545472397488 0.37383151495604 30.974 > 9 10 P 0.86320447378826 0.66545472397488 0.37383151495604 30.974 > 9 11 P 0.36320447378826 0.66545472397488 0.87383151495604 30.974 > 9 12 P 0.86320447378826 0.66545472397488 0.87383151495604 30.974 > 9 13 P 0.13679552621174 0.16545472397488 0.37616848504396 30.974 > 13 14 P 0.63679552621174 0.16545472397488 0.37616848504396 30.974 > 13 15 P 0.13679552621174 0.16545472397488 0.87616848504396 30.974 > 13 16 P 0.63679552621174 0.16545472397488 0.87616848504396 30.974 > 13 17 P 0.13939301580275 0.45278813905789 0.35283287454919 30.974 > 17 18 P 0.63939301580275 0.45278813905789 0.35283287454919 30.974 > 17 19 P 0.13939301580275 0.45278813905789 0.85283287454919 30.974 > 17 20 P 0.63939301580275 0.45278813905789 0.85283287454919 30.974 > 17 21 P 0.36060698419725 0.95278813905789 0.39716712545081 30.974 > 21 22 P 0.86060698419725 0.95278813905789 0.39716712545081 30.974 > 21 23 P 0.36060698419725 0.95278813905789 0.89716712545081 30.974 > 21 24 P 0.86060698419725 0.95278813905789 0.89716712545081 30.974 > 21 25 P 0.36060698419725 0.54721186094211 0.14716712545081 30.974 > 25 26 P 0.86060698419725 0.54721186094211 0.14716712545081 30.974 > 25 27 P 0.36060698419725 0.54721186094211 0.64716712545081 30.974 > 25 28 P 0.86060698419725 0.54721186094211 0.64716712545081 30.974 > 25 29 P 0.13939301580275 0.04721186094211 0.10283287454919 30.974 > 29 30 P 0.63939301580275 0.04721186094211 0.10283287454919 30.974 > 29 31 P 0.13939301580275 0.04721186094211 0.60283287454919 30.974 > 29 32 P 0.63939301580275 0.04721186094211 0.60283287454919 30.974 > 29 33 Se 0.28035300976389 0.30612764630343 0.31138881204637 78.960 > 33 34 Se 0.78035300976389 0.30612764630343 0.31138881204637 78.960 > 33 35 Se 0.28035300976389 0.30612764630343 0.81138881204637 78.960 > 33 36 Se 0.78035300976389 0.30612764630343 0.81138881204637 78.960 > 33 37 Se 0.21964699023611 0.80612764630343 0.43861118795363 78.960 > 37 38 Se 0.71964699023611 0.80612764630343 0.43861118795363 78.960 > 37 39 Se 0.21964699023611 0.80612764630343 0.93861118795363 78.960 > 37 40 Se 0.71964699023611 0.80612764630343 0.93861118795363 78.960 > 37 41 Se 0.21964699023611 0.69387235369657 0.18861118795363 78.960 > 41 42 Se 0.71964699023611 0.69387235369657 0.18861118795363 78.960 > 41 43 Se 0.21964699023611 0.69387235369657 0.68861118795363 78.960 > 41 44 Se 0.71964699023611 0.69387235369657 0.68861118795363 78.960 > 41 45 Se 0.28035300976389 0.19387235369657 0.06138881204637 78.960 > 45 46 Se 0.78035300976389 0.19387235369657 0.06138881204637 78.960 > 45 47 Se 0.28035300976389 0.19387235369657 0.56138881204637 78.960 > 45 48 Se 0.78035300976389 0.19387235369657 0.56138881204637 78.960 > 45 49 Se 0.28547141095288 0.39175938533496 0.46796481502502 78.960 > 49 50 Se 0.78547141095288 0.39175938533496 0.46796481502502 78.960 > 49 51 Se 0.28547141095288 0.39175938533496 0.96796481502502 78.960 > 49 52 Se 0.78547141095288 0.39175938533496 0.96796481502502 78.960 > 49 53 Se 0.21452858904712 0.89175938533496 0.28203518497498 78.960 > 53 54 Se 0.71452858904712 0.89175938533496 0.28203518497498 78.960 > 53 55 Se 0.21452858904712 0.89175938533496 0.78203518497498 78.960 > 53 56 Se 0.71452858904712 0.89175938533496 0.78203518497498 78.960 > 53 57 Se 0.21452858904712 0.60824061466504 0.03203518497498 78.960 > 57 58 Se 0.71452858904712 0.60824061466504 0.03203518497498 78.960 > 57 59 Se 0.21452858904712 0.60824061466504 0.53203518497498 78.960 > 57 60 Se 0.71452858904712 0.60824061466504 0.53203518497498 78.960 > 57 61 Se 0.28547141095288 0.10824061466504 0.21796481502502 78.960 > 61 62 Se 0.78547141095288 0.10824061466504 0.21796481502502 78.960 > 61 63 Se 0.28547141095288 0.10824061466504 0.71796481502502 78.960 > 61 64 Se 0.78547141095288 0.10824061466504 0.71796481502502 78.960 > 61 65 Se 0.49237227962479 0.39308699050246 0.32712492665312 78.960 > 65 66 Se 0.99237227962479 0.39308699050246 0.32712492665312 78.960 > 65 67 Se 0.49237227962479 0.39308699050246 0.82712492665312 78.960 > 65 68 Se 0.99237227962479 0.39308699050246 0.82712492665312 78.960 > 65 69 Se 0.00762772037521 0.89308699050246 0.42287507334688 78.960 > 69 70 Se 0.50762772037521 0.89308699050246 0.42287507334688 78.960 > 69 71 Se 0.00762772037521 0.89308699050246 0.92287507334688 78.960 > 69 72 Se 0.50762772037521 0.89308699050246 0.92287507334688 78.960 > 69 73 Se 0.00762772037521 0.60691300949754 0.17287507334688 78.960 > 73 74 Se 0.50762772037521 0.60691300949754 0.17287507334688 78.960 > 73 75 Se 0.00762772037521 0.60691300949754 0.67287507334688 78.960 > 73 76 Se 0.50762772037521 0.60691300949754 0.67287507334688 78.960 > 73 77 Se 0.49237227962479 0.10691300949754 0.07712492665312 78.960 > 77 78 Se 0.99237227962479 0.10691300949754 0.07712492665312 78.960 > 77 79 Se 0.49237227962479 0.10691300949754 0.57712492665312 78.960 > 77 80 Se 0.99237227962479 0.10691300949754 0.57712492665312 78.960 > 77 81 Se 0.49539715553400 0.30657749060118 0.17528629380896 78.960 > 81 82 Se 0.99539715553400 0.30657749060118 0.17528629380896 78.960 > 81 83 Se 0.49539715553400 0.30657749060118 0.67528629380896 78.960 > 81 84 Se 0.99539715553400 0.30657749060118 0.67528629380896 78.960 > 81 85 Se 0.00460284446600 0.80657749060118 0.07471370619103 78.960 > 85 86 Se 0.50460284446600 0.80657749060118 0.07471370619103 78.960 > 85 87 Se 0.00460284446600 0.80657749060118 0.57471370619104 78.960 > 85 88 Se 0.50460284446600 0.80657749060118 0.57471370619104 78.960 > 85 89 Se 0.00460284446600 0.69342250939882 0.32471370619104 78.960 > 89 90 Se 0.50460284446600 0.69342250939882 0.32471370619104 78.960 > 89 91 Se 0.00460284446600 0.69342250939882 0.82471370619104 78.960 > 89 92 Se 0.50460284446600 0.69342250939882 0.82471370619104 78.960 > 89 93 Se 0.49539715553400 0.19342250939882 0.42528629380896 78.960 > 93 94 Se 0.99539715553400 0.19342250939882 0.42528629380896 78.960 > 93 95 Se 0.49539715553400 0.19342250939882 0.92528629380896 78.960 > 93 96 Se 0.99539715553400 0.19342250939882 0.92528629380896 78.960 > 93 97 Se 0.13626574589860 0.44836058992358 0.14550625791358 78.960 > 97 98 Se 0.63626574589860 0.44836058992358 0.14550625791358 78.960 > 97 99 Se 0.13626574589860 0.44836058992358 0.64550625791358 78.960 > 97 100 Se 0.63626574589860 0.44836058992358 0.64550625791358 78.960 > 97 101 Se 0.36373425410140 0.94836058992358 0.10449374208642 78.960 > 101 102 Se 0.86373425410140 0.94836058992358 0.10449374208642 78.960 > 101 103 Se 0.36373425410140 0.94836058992358 0.60449374208642 78.960 > 101 104 Se 0.86373425410140 0.94836058992358 0.60449374208642 78.960 > 101 105 Se 0.36373425410140 0.55163941007642 0.35449374208642 78.960 > 105 106 Se 0.86373425410140 0.55163941007642 0.35449374208642 78.960 > 105 107 Se 0.36373425410140 0.55163941007642 0.85449374208642 78.960 > 105 108 Se 0.86373425410140 0.55163941007642 0.85449374208642 78.960 > 105 109 Se 0.13626574589860 0.05163941007642 0.39550625791358 78.960 > 109 110 Se 0.63626574589860 0.05163941007642 0.39550625791358 78.960 > 109 111 Se 0.13626574589860 0.05163941007642 0.89550625791358 78.960 > 109 112 Se 0.63626574589860 0.05163941007642 0.89550625791358 78.960 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.4600908 0.0000000 -0.4892173 0.0000000 9.6960644 0.0000000 -0.4892299 0.0000000 11.1313394 -------------------------- Born effective charges -------------------------- 1 P 1.6815968 0.2360067 0.1471047 0.0116729 0.9983700 -0.0685885 0.0098660 -0.5979412 1.9119336 2 P 1.6815968 -0.2360067 0.1471047 -0.0116729 0.9983700 0.0685885 0.0098660 0.5979412 1.9119336 3 P 1.6815968 0.2360067 0.1471047 0.0116729 0.9983700 -0.0685885 0.0098660 -0.5979412 1.9119336 4 P 1.6815968 -0.2360067 0.1471047 -0.0116729 0.9983700 0.0685885 0.0098660 0.5979412 1.9119336 5 P 0.8591999 -0.0938977 -0.1108932 -0.1122613 0.6018069 -0.3298031 -0.1977817 -0.0244315 0.8167244 6 P 0.8591999 0.0938977 -0.1108932 0.1122613 0.6018069 0.3298031 -0.1977817 0.0244315 0.8167244 7 P 0.8591999 -0.0938977 -0.1108932 -0.1122613 0.6018069 -0.3298031 -0.1977817 -0.0244315 0.8167244 8 P 0.8591999 0.0938977 -0.1108932 0.1122613 0.6018069 0.3298031 -0.1977817 0.0244315 0.8167244 9 Se -0.9942207 -0.3417101 -0.3733860 -0.5427699 -0.3524552 0.8767259 -0.6047748 0.5272222 -0.9079357 10 Se -0.9942207 0.3417101 -0.3733860 0.5427699 -0.3524552 -0.8767259 -0.6047748 -0.5272222 -0.9079357 11 Se -0.9942207 -0.3417101 -0.3733860 -0.5427699 -0.3524552 0.8767259 -0.6047748 0.5272222 -0.9079357 12 Se -0.9942207 0.3417101 -0.3733860 0.5427699 -0.3524552 -0.8767259 -0.6047748 -0.5272222 -0.9079357 13 Se -0.3260706 -0.4496660 0.7176463 0.1319663 -0.0549061 0.0563992 0.7192808 0.2918506 0.0991758 14 Se -0.3260706 0.4496660 0.7176463 -0.1319663 -0.0549061 -0.0563992 0.7192808 -0.2918506 0.0991758 15 Se -0.3260706 -0.4496660 0.7176463 0.1319663 -0.0549061 0.0563992 0.7192808 0.2918506 0.0991758 16 Se -0.3260706 0.4496660 0.7176463 -0.1319663 -0.0549061 -0.0563992 0.7192808 -0.2918506 0.0991758 17 Se 0.6989667 0.3028346 -0.1182725 0.2184332 -0.2430056 0.0504379 -0.0720632 0.4974324 -0.6389652 18 Se 0.6989667 -0.3028346 -0.1182725 -0.2184332 -0.2430056 -0.0504379 -0.0720632 -0.4974324 -0.6389652 19 Se 0.6989667 0.3028346 -0.1182725 0.2184332 -0.2430056 0.0504379 -0.0720632 0.4974324 -0.6389652 20 Se 0.6989667 -0.3028346 -0.1182725 -0.2184332 -0.2430056 -0.0504379 -0.0720632 -0.4974324 -0.6389652 21 Se -1.2806316 -0.2396334 -0.3005273 -0.3603412 -0.3457874 1.0213551 0.1103078 0.6196526 -0.5555697 22 Se -1.2806316 0.2396334 -0.3005273 0.3603412 -0.3457874 -1.0213551 0.1103078 -0.6196526 -0.5555697 23 Se -1.2806316 -0.2396334 -0.3005273 -0.3603412 -0.3457874 1.0213551 0.1103078 0.6196526 -0.5555697 24 Se -1.2806316 0.2396334 -0.3005273 0.3603412 -0.3457874 -1.0213551 0.1103078 -0.6196526 -0.5555697 25 Se -0.6388405 0.1525159 0.0383279 0.0260986 -0.6040227 -0.0850695 0.0351651 -0.2937795 -0.7253631 26 Se -0.6388405 -0.1525159 0.0383279 -0.0260986 -0.6040227 0.0850695 0.0351651 0.2937795 -0.7253631 27 Se -0.6388405 0.1525159 0.0383279 0.0260986 -0.6040227 -0.0850695 0.0351651 -0.2937795 -0.7253631 28 Se -0.6388405 -0.1525159 0.0383279 -0.0260986 -0.6040227 0.0850695 0.0351651 0.2937795 -0.7253631 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 ... [ 8 2 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.462 ( 0.000 0.000 0.000) 0.000 0.568 ( 0.000 0.000 0.000) 0.000 0.659 ( 0.000 0.000 0.000) 0.000 0.694 ( 0.000 0.000 0.000) 0.000 0.700 ( 0.000 0.000 0.000) 0.000 0.834 ( 0.000 0.000 0.000) 0.000 0.985 ( 0.000 0.000 0.000) 0.000 0.998 ( 0.000 0.000 0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.209 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.823 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.605 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.749 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.796 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.519 ( 0.000 0.000 0.000) 0.000 10.735 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( 10.012 0.000 6.788) 12.096 0.276 ( 10.760 0.000 9.197) 14.155 0.450 ( 18.138 0.000 5.681) 19.007 0.472 ( 0.857 0.000 1.519) 1.744 0.639 ( -1.685 0.000 -2.118) 2.707 0.685 ( 11.795 0.000 1.701) 11.917 0.700 ( 1.118 0.000 -0.790) 1.370 0.750 ( 4.380 0.000 1.929) 4.786 0.851 ( 1.825 0.000 -0.240) 1.840 0.973 ( 0.365 0.000 4.840) 4.853 1.035 ( 2.051 0.000 2.713) 3.401 1.135 ( -1.838 0.000 -2.210) 2.875 1.170 ( 9.207 0.000 -1.138) 9.277 1.253 ( 1.937 0.000 2.449) 3.122 1.276 ( 3.117 0.000 2.175) 3.801 1.388 ( -0.391 0.000 -0.455) 0.600 1.671 ( 0.605 0.000 0.295) 0.673 1.748 ( -2.017 0.000 0.042) 2.017 1.752 ( -2.361 0.000 -0.282) 2.377 1.807 ( -1.304 0.000 -1.254) 1.809 1.825 ( -0.040 0.000 0.145) 0.150 1.867 ( -1.733 0.000 -1.449) 2.259 1.930 ( -0.808 0.000 -1.206) 1.452 2.059 ( -1.688 0.000 -0.657) 1.811 2.199 ( -4.042 0.000 -1.271) 4.237 2.256 ( -2.459 0.000 -0.224) 2.469 2.372 ( -3.510 0.000 -1.147) 3.693 2.422 ( -2.455 0.000 -0.665) 2.543 3.093 ( -1.403 0.000 -1.057) 1.757 3.120 ( -1.491 0.000 -0.838) 1.710 3.285 ( -2.237 0.000 -1.670) 2.791 3.315 ( -1.757 0.000 -1.135) 2.092 3.500 ( 1.098 0.000 1.180) 1.611 3.513 ( 0.049 0.000 0.287) 0.291 3.526 ( -0.350 0.000 0.648) 0.737 3.538 ( 0.628 0.000 -0.564) 0.844 3.565 ( -1.390 0.000 -0.022) 1.390 3.639 ( -0.429 0.000 -0.657) 0.785 3.647 ( -0.407 0.000 -1.146) 1.216 3.698 ( 0.632 0.000 0.237) 0.675 3.888 ( -1.426 0.000 -0.528) 1.520 3.895 ( -0.113 0.000 -0.119) 0.164 3.917 ( -0.381 0.000 0.162) 0.414 3.944 ( 0.237 0.000 0.408) 0.472 5.438 ( -0.072 0.000 0.195) 0.208 5.453 ( -0.470 0.000 0.205) 0.512 5.459 ( -0.361 0.000 -0.382) 0.526 5.471 ( -0.012 0.000 -0.389) 0.389 5.550 ( 0.767 0.000 0.574) 0.958 5.581 ( 1.777 0.000 1.013) 2.046 5.604 ( 0.615 0.000 -0.117) 0.626 5.644 ( 1.181 0.000 0.325) 1.225 6.869 ( -0.082 0.000 -0.144) 0.166 6.877 ( -0.180 0.000 -0.274) 0.328 6.928 ( 0.022 0.000 0.097) 0.099 6.939 ( -0.019 0.000 -0.040) 0.045 7.105 ( -0.371 0.000 0.010) 0.371 7.115 ( -0.044 0.000 -0.418) 0.420 7.123 ( -0.543 0.000 -0.321) 0.631 7.128 ( -0.521 0.000 0.162) 0.545 8.133 ( 0.586 0.000 1.913) 2.001 8.137 ( 0.813 0.000 1.788) 1.964 8.354 ( 2.130 0.000 0.842) 2.290 8.368 ( 1.840 0.000 1.181) 2.187 8.570 ( -0.061 0.000 -0.063) 0.087 8.573 ( -0.423 0.000 0.010) 0.423 8.768 ( -1.219 0.000 -1.081) 1.629 8.788 ( -1.862 0.000 -1.313) 2.278 9.623 ( 1.829 0.000 0.324) 1.858 9.629 ( 1.772 0.000 1.173) 2.125 9.713 ( -1.033 0.000 -0.934) 1.392 9.732 ( -0.921 0.000 -0.087) 0.925 9.740 ( -0.770 0.000 -0.235) 0.805 9.743 ( -0.596 0.000 -0.162) 0.617 9.828 ( 2.131 0.000 1.729) 2.744 9.934 ( 0.417 0.000 0.499) 0.650 10.431 ( 0.116 0.000 -0.786) 0.795 10.443 ( -0.200 0.000 0.025) 0.201 10.487 ( -0.165 0.000 -0.466) 0.494 10.511 ( -0.535 0.000 -0.645) 0.838 10.747 ( 0.866 0.000 0.971) 1.301 10.795 ( 0.494 0.000 0.844) 0.978 10.845 ( 0.346 0.000 -0.130) 0.370 10.866 ( 0.714 0.000 0.067) 0.718 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 8.333 0.000 8.772) 12.099 0.512 ( 2.551 0.000 -0.847) 2.688 0.522 ( 8.680 0.000 8.264) 11.984 0.623 ( 3.490 0.000 -0.098) 3.492 0.707 ( 8.544 0.000 2.297) 8.848 0.739 ( 2.649 0.000 1.904) 3.262 0.839 ( 4.182 0.000 -0.230) 4.188 0.902 ( 3.661 0.000 -0.365) 3.679 0.959 ( 6.628 0.000 2.205) 6.986 1.034 ( 3.190 0.000 3.349) 4.625 1.037 ( 1.757 0.000 3.338) 3.772 1.198 ( 7.620 0.000 -1.478) 7.762 1.301 ( 0.888 0.000 2.274) 2.441 1.311 ( 6.077 0.000 -2.583) 6.603 1.348 ( 2.556 0.000 2.524) 3.592 1.385 ( 0.414 0.000 -0.003) 0.414 1.663 ( -0.860 0.000 -0.465) 0.978 1.714 ( -0.972 0.000 -0.327) 1.026 1.744 ( 0.716 0.000 0.741) 1.031 1.758 ( -2.438 0.000 -1.645) 2.941 1.801 ( -1.324 0.000 -0.914) 1.609 1.831 ( -1.218 0.000 0.494) 1.314 1.905 ( -0.996 0.000 -0.347) 1.055 2.008 ( -2.949 0.000 -0.991) 3.111 2.120 ( -3.317 0.000 -0.437) 3.346 2.184 ( -4.393 0.000 -1.238) 4.564 2.285 ( -4.483 0.000 -1.344) 4.680 2.346 ( -4.576 0.000 -1.719) 4.888 3.053 ( -1.857 0.000 -1.288) 2.260 3.077 ( -2.272 0.000 -1.121) 2.534 3.240 ( -1.086 0.000 -1.132) 1.568 3.272 ( -1.597 0.000 -0.915) 1.841 3.515 ( -0.357 0.000 1.225) 1.276 3.515 ( 0.183 0.000 0.143) 0.232 3.524 ( -0.609 0.000 0.862) 1.056 3.549 ( 0.349 0.000 -0.572) 0.670 3.554 ( 0.826 0.000 -0.094) 0.831 3.622 ( -0.673 0.000 -1.270) 1.437 3.632 ( -0.385 0.000 -0.117) 0.402 3.697 ( -0.894 0.000 -0.168) 0.910 3.848 ( -2.128 0.000 -0.842) 2.288 3.883 ( -1.009 0.000 -0.629) 1.189 3.898 ( -1.719 0.000 -0.275) 1.741 3.940 ( -1.054 0.000 -0.136) 1.063 5.434 ( -0.479 0.000 0.173) 0.509 5.441 ( -0.987 0.000 0.139) 0.996 5.445 ( -0.590 0.000 -0.713) 0.926 5.459 ( -0.771 0.000 -0.656) 1.012 5.580 ( 1.705 0.000 0.928) 1.942 5.620 ( 1.053 0.000 0.048) 1.055 5.634 ( 2.591 0.000 1.581) 3.036 5.677 ( 1.844 0.000 0.475) 1.904 6.865 ( -0.195 0.000 -0.264) 0.328 6.871 ( -0.176 0.000 -0.336) 0.379 6.929 ( 0.073 0.000 0.068) 0.100 6.938 ( -0.038 0.000 -0.106) 0.113 7.097 ( -0.526 0.000 0.038) 0.528 7.107 ( -0.823 0.000 -0.277) 0.868 7.109 ( -0.132 0.000 -0.415) 0.436 7.118 ( -0.630 0.000 0.073) 0.634 8.165 ( 1.210 0.000 1.515) 1.939 8.171 ( 1.540 0.000 0.951) 1.810 8.411 ( 2.940 0.000 1.165) 3.162 8.421 ( 2.440 0.000 1.693) 2.969 8.568 ( -0.175 0.000 0.314) 0.360 8.571 ( 0.309 0.000 0.094) 0.323 8.726 ( -1.999 0.000 -1.837) 2.715 8.731 ( -2.759 0.000 -1.972) 3.391 9.657 ( 1.076 0.000 0.098) 1.080 9.670 ( 1.220 0.000 0.986) 1.568 9.685 ( -1.240 0.000 -0.825) 1.489 9.709 ( -1.298 0.000 -0.126) 1.304 9.727 ( -0.037 0.000 0.028) 0.046 9.739 ( 0.545 0.000 0.311) 0.628 9.876 ( 1.479 0.000 1.396) 2.033 9.944 ( 0.364 0.000 0.017) 0.364 10.430 ( 0.266 0.000 -0.153) 0.307 10.440 ( -0.151 0.000 0.158) 0.218 10.479 ( -0.184 0.000 -0.640) 0.666 10.494 ( -0.677 0.000 -0.878) 1.109 10.776 ( 1.183 0.000 1.374) 1.813 10.817 ( 0.883 0.000 1.273) 1.549 10.853 ( 0.559 0.000 -0.195) 0.592 10.882 ( 0.901 0.000 0.044) 0.902 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 4.558 0.000 -1.703) 4.865 0.647 ( 3.751 0.000 7.933) 8.776 0.714 ( 5.840 0.000 6.626) 8.832 0.749 ( 5.611 0.000 2.134) 6.003 0.806 ( 1.066 0.000 -3.243) 3.414 0.823 ( 5.240 0.000 3.345) 6.216 0.855 ( 0.065 0.000 2.492) 2.493 0.962 ( 3.283 0.000 -1.193) 3.493 1.027 ( 3.473 0.000 4.831) 5.950 1.062 ( -0.040 0.000 -0.274) 0.277 1.148 ( 3.350 0.000 -4.163) 5.344 1.272 ( -5.340 0.000 -0.763) 5.394 1.285 ( 0.802 0.000 -1.075) 1.341 1.345 ( 1.050 0.000 -2.521) 2.731 1.406 ( 0.757 0.000 2.274) 2.396 1.414 ( 4.499 0.000 -1.365) 4.701 1.670 ( 1.362 0.000 0.450) 1.434 1.717 ( 0.411 0.000 -0.277) 0.496 1.730 ( 0.843 0.000 1.612) 1.819 1.733 ( -0.887 0.000 -1.263) 1.543 1.798 ( 0.036 0.000 0.609) 0.610 1.849 ( 1.704 0.000 2.159) 2.751 1.896 ( 0.053 0.000 0.260) 0.265 1.954 ( -2.072 0.000 -0.359) 2.103 2.073 ( -2.039 0.000 -0.544) 2.111 2.103 ( -2.692 0.000 -0.563) 2.750 2.208 ( -2.649 0.000 -0.778) 2.761 2.249 ( -3.963 0.000 -1.710) 4.316 3.012 ( -1.445 0.000 -0.947) 1.727 3.027 ( -2.088 0.000 -0.874) 2.264 3.232 ( 0.523 0.000 -0.185) 0.555 3.252 ( -0.267 0.000 -0.038) 0.269 3.509 ( -1.155 0.000 -0.086) 1.158 3.521 ( 0.038 0.000 0.826) 0.827 3.523 ( 0.098 0.000 0.426) 0.437 3.546 ( -0.504 0.000 0.671) 0.839 3.578 ( 1.959 0.000 -0.555) 2.036 3.604 ( 0.159 0.000 -0.883) 0.897 3.631 ( -0.038 0.000 -0.056) 0.068 3.669 ( -1.821 0.000 -0.383) 1.861 3.808 ( -1.180 0.000 -0.583) 1.316 3.854 ( -2.490 0.000 -0.699) 2.586 3.856 ( -0.881 0.000 -0.651) 1.096 3.904 ( -2.314 0.000 -0.658) 2.406 5.422 ( -0.898 0.000 -0.051) 0.899 5.425 ( -0.545 0.000 0.028) 0.545 5.431 ( -0.347 0.000 -0.500) 0.608 5.441 ( -0.626 0.000 -0.360) 0.722 5.615 ( 1.159 0.000 0.612) 1.310 5.639 ( 0.878 0.000 0.077) 0.881 5.688 ( 1.827 0.000 1.290) 2.237 5.710 ( 1.279 0.000 0.169) 1.290 6.859 ( -0.158 0.000 -0.229) 0.278 6.867 ( -0.116 0.000 -0.209) 0.239 6.931 ( 0.023 0.000 0.044) 0.050 6.936 ( 0.015 0.000 -0.096) 0.097 7.088 ( -0.390 0.000 0.030) 0.391 7.092 ( -0.566 0.000 -0.145) 0.584 7.104 ( -0.099 0.000 -0.261) 0.279 7.108 ( -0.440 0.000 0.011) 0.440 8.193 ( 0.799 0.000 0.776) 1.113 8.201 ( 0.987 0.000 0.460) 1.089 8.466 ( 2.005 0.000 0.766) 2.147 8.472 ( 1.556 0.000 1.299) 2.027 8.577 ( 0.768 0.000 0.933) 1.208 8.586 ( 1.072 0.000 0.639) 1.248 8.666 ( -2.611 0.000 -2.012) 3.296 8.672 ( -2.161 0.000 -2.021) 2.959 9.660 ( -0.838 0.000 -0.439) 0.946 9.661 ( -0.195 0.000 -0.033) 0.198 9.678 ( -0.263 0.000 0.020) 0.264 9.688 ( -0.823 0.000 -0.071) 0.826 9.747 ( 1.339 0.000 0.517) 1.435 9.761 ( 0.932 0.000 0.443) 1.032 9.901 ( 0.504 0.000 0.653) 0.824 9.946 ( -0.018 0.000 -0.182) 0.182 10.439 ( 0.569 0.000 0.257) 0.624 10.442 ( 0.116 0.000 0.340) 0.359 10.471 ( -0.253 0.000 -0.568) 0.622 10.476 ( -0.551 0.000 -0.756) 0.935 10.806 ( 0.872 0.000 1.084) 1.391 10.841 ( 0.694 0.000 0.959) 1.184 10.860 ( 0.376 0.000 -0.251) 0.452 10.896 ( 0.573 0.000 -0.036) 0.574 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 0.000 0.000) 0.000 0.717 ( 0.000 0.000 0.000) 0.000 0.775 ( 0.000 0.000 0.000) 0.000 0.794 ( 0.000 0.000 -0.000) 0.000 0.830 ( -0.000 0.000 -0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.922 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.085 ( 0.000 0.000 0.000) 0.000 1.098 ( 0.000 0.000 -0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.159 ( 0.000 0.000 0.000) 0.000 1.272 ( 0.000 0.000 0.000) 0.000 1.342 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.701 ( -0.000 0.000 -0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.614 ( -0.000 0.000 -0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.860 ( -0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 -0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 -0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 -0.000) 0.000 8.611 ( -1.826 0.000 -1.579) 2.414 8.611 ( 1.826 0.000 1.579) 2.414 8.618 ( -0.000 0.000 -0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.674 ( -0.000 0.000 -0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.466 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 10.862 ( 0.000 0.000 0.000) 0.000 10.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 0.000 -12.091 0.000) 12.091 0.324 ( 0.000 12.091 0.000) 12.091 0.376 ( 0.000 -13.423 0.000) 13.423 0.376 ( 0.000 13.423 0.000) 13.423 0.532 ( 0.000 -18.280 0.000) 18.280 0.532 ( 0.000 18.280 0.000) 18.280 0.695 ( 0.000 -2.048 0.000) 2.048 0.695 ( 0.000 2.048 0.000) 2.048 0.852 ( 0.000 -4.573 0.000) 4.573 0.852 ( 0.000 4.573 0.000) 4.573 1.105 ( 0.000 -3.263 0.000) 3.263 1.105 ( 0.000 3.263 0.000) 3.263 1.158 ( 0.000 -3.018 0.000) 3.018 1.158 ( 0.000 3.018 0.000) 3.018 1.335 ( 0.000 -4.382 0.000) 4.382 1.335 ( 0.000 4.382 0.000) 4.382 1.709 ( 0.000 -1.520 0.000) 1.520 1.709 ( 0.000 1.520 0.000) 1.520 1.806 ( 0.000 -0.872 0.000) 0.872 1.806 ( 0.000 0.872 0.000) 0.872 1.843 ( 0.000 -0.997 0.000) 0.997 1.843 ( 0.000 0.997 0.000) 0.997 2.028 ( 0.000 -3.769 0.000) 3.769 2.028 ( 0.000 3.769 0.000) 3.769 2.251 ( 0.000 -0.131 0.000) 0.131 2.251 ( 0.000 0.131 0.000) 0.131 2.430 ( 0.000 -1.020 0.000) 1.020 2.430 ( 0.000 1.020 0.000) 1.020 3.125 ( 0.000 -0.811 0.000) 0.811 3.125 ( 0.000 0.811 0.000) 0.811 3.337 ( 0.000 -0.131 0.000) 0.131 3.337 ( 0.000 0.131 0.000) 0.131 3.472 ( 0.000 -0.423 0.000) 0.423 3.472 ( 0.000 0.423 0.000) 0.423 3.520 ( 0.000 -0.492 0.000) 0.492 3.520 ( 0.000 0.492 0.000) 0.492 3.605 ( 0.000 -1.533 0.000) 1.533 3.605 ( 0.000 1.533 0.000) 1.533 3.697 ( 0.000 -1.518 0.000) 1.518 3.697 ( 0.000 1.518 0.000) 1.518 3.896 ( 0.000 -0.071 0.000) 0.071 3.896 ( 0.000 0.071 0.000) 0.071 3.913 ( 0.000 -0.392 0.000) 0.392 3.913 ( 0.000 0.392 0.000) 0.392 5.443 ( 0.000 -0.466 0.000) 0.466 5.443 ( 0.000 0.466 0.000) 0.466 5.471 ( 0.000 -0.117 0.000) 0.117 5.471 ( 0.000 0.117 0.000) 0.117 5.548 ( 0.000 -0.496 0.000) 0.496 5.548 ( 0.000 0.496 0.000) 0.496 5.619 ( 0.000 -0.957 0.000) 0.957 5.619 ( 0.000 0.957 0.000) 0.957 6.876 ( 0.000 -0.257 0.000) 0.257 6.876 ( 0.000 0.257 0.000) 0.257 6.932 ( 0.000 -0.439 0.000) 0.439 6.932 ( 0.000 0.439 0.000) 0.439 7.112 ( 0.000 -0.190 0.000) 0.190 7.112 ( 0.000 0.190 0.000) 0.190 7.135 ( 0.000 -0.146 0.000) 0.146 7.135 ( 0.000 0.146 0.000) 0.146 8.118 ( 0.000 -0.135 0.000) 0.135 8.118 ( 0.000 0.135 0.000) 0.135 8.340 ( 0.000 -0.595 0.000) 0.595 8.340 ( 0.000 0.595 0.000) 0.595 8.575 ( 0.000 -0.210 0.000) 0.210 8.575 ( 0.000 0.210 0.000) 0.210 8.808 ( 0.000 -0.249 0.000) 0.249 8.808 ( 0.000 0.249 0.000) 0.249 9.604 ( 0.000 -0.071 0.000) 0.071 9.604 ( 0.000 0.071 0.000) 0.071 9.736 ( 0.000 -0.198 0.000) 0.198 9.736 ( 0.000 0.198 0.000) 0.198 9.751 ( 0.000 -0.288 0.000) 0.288 9.751 ( 0.000 0.288 0.000) 0.288 9.787 ( 0.000 -0.617 0.000) 0.617 9.787 ( 0.000 0.617 0.000) 0.617 10.426 ( 0.000 -0.988 0.000) 0.988 10.426 ( 0.000 0.988 0.000) 0.988 10.508 ( 0.000 -0.833 0.000) 0.833 10.508 ( 0.000 0.833 0.000) 0.833 10.780 ( 0.000 -0.422 0.000) 0.422 10.780 ( 0.000 0.422 0.000) 0.422 10.852 ( 0.000 -0.498 0.000) 0.498 10.852 ( 0.000 0.498 0.000) 0.498 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 2.545 -4.481 2.553) 5.752 0.325 ( 2.545 4.481 2.553) 5.752 0.468 ( 5.645 -2.531 1.726) 6.423 0.468 ( 5.645 2.531 1.726) 6.423 0.670 ( 3.821 -8.029 2.129) 9.143 0.670 ( 3.821 8.029 2.129) 9.143 0.706 ( 9.722 -3.758 2.596) 10.741 0.706 ( 9.722 3.758 2.596) 10.741 0.903 ( 4.185 -5.115 1.519) 6.781 0.903 ( 4.185 5.115 1.519) 6.781 1.057 ( -3.020 -3.707 -0.169) 4.784 1.057 ( -3.020 3.707 -0.169) 4.784 1.225 ( 4.825 -2.026 0.559) 5.263 1.225 ( 4.825 2.026 0.559) 5.263 1.349 ( 1.002 -3.121 0.927) 3.407 1.349 ( 1.002 3.121 0.927) 3.407 1.698 ( -0.497 -1.865 -0.072) 1.932 1.698 ( -0.497 1.865 -0.072) 1.932 1.789 ( -2.083 -1.239 -0.908) 2.588 1.789 ( -2.083 1.239 -0.908) 2.588 1.833 ( -0.520 -0.635 -0.373) 0.901 1.833 ( -0.520 0.635 -0.373) 0.901 2.010 ( -1.542 -3.628 -0.812) 4.025 2.010 ( -1.542 3.628 -0.812) 4.025 2.217 ( -3.177 -1.612 -0.905) 3.676 2.217 ( -3.177 1.612 -0.905) 3.676 2.402 ( -2.790 -1.436 -0.757) 3.228 2.402 ( -2.790 1.436 -0.757) 3.228 3.106 ( -1.465 -0.829 -0.971) 1.943 3.106 ( -1.465 0.829 -0.971) 1.943 3.305 ( -2.223 -0.810 -1.505) 2.804 3.305 ( -2.223 0.810 -1.505) 2.804 3.501 ( 1.220 -0.496 0.842) 1.563 3.501 ( 1.220 0.496 0.842) 1.563 3.523 ( 0.230 -0.500 0.574) 0.795 3.523 ( 0.230 0.500 0.574) 0.795 3.590 ( -0.889 -1.786 -0.629) 2.092 3.590 ( -0.889 1.786 -0.629) 2.092 3.691 ( -0.240 -1.264 -0.365) 1.337 3.691 ( -0.240 1.264 -0.365) 1.337 3.891 ( -0.845 -0.243 -0.352) 0.947 3.891 ( -0.845 0.243 -0.352) 0.947 3.926 ( 0.574 -0.680 0.512) 1.027 3.926 ( 0.574 0.680 0.512) 1.027 5.443 ( -0.199 -0.385 0.148) 0.458 5.443 ( -0.199 0.385 0.148) 0.458 5.467 ( -0.299 -0.315 -0.347) 0.556 5.467 ( -0.299 0.315 -0.347) 0.556 5.559 ( 1.082 -0.833 0.629) 1.504 5.559 ( 1.082 0.833 0.629) 1.504 5.630 ( 1.101 -1.081 0.300) 1.572 5.630 ( 1.101 1.081 0.300) 1.572 6.873 ( -0.150 -0.258 -0.209) 0.364 6.873 ( -0.150 0.258 -0.209) 0.364 6.933 ( 0.032 -0.359 0.013) 0.361 6.933 ( 0.032 0.359 0.013) 0.361 7.109 ( -0.234 -0.260 -0.173) 0.390 7.109 ( -0.234 0.260 -0.173) 0.390 7.127 ( -0.624 -0.129 -0.121) 0.649 7.127 ( -0.624 0.129 -0.121) 0.649 8.134 ( 1.013 -0.101 1.311) 1.660 8.134 ( 1.013 0.101 1.311) 1.660 8.362 ( 1.911 -0.461 1.042) 2.225 8.362 ( 1.911 0.461 1.042) 2.225 8.571 ( -0.239 -0.101 -0.029) 0.261 8.571 ( -0.239 0.101 -0.029) 0.261 8.782 ( -1.846 -0.521 -1.282) 2.307 8.782 ( -1.846 0.521 -1.282) 2.307 9.626 ( 1.782 -0.172 0.714) 1.927 9.626 ( 1.782 0.172 0.714) 1.927 9.722 ( -0.963 -0.591 -0.511) 1.240 9.722 ( -0.963 0.591 -0.511) 1.240 9.742 ( -0.768 -0.079 -0.137) 0.784 9.742 ( -0.768 0.079 -0.137) 0.784 9.852 ( 3.541 -2.443 1.860) 4.687 9.852 ( 3.541 2.443 1.860) 4.687 10.430 ( 0.283 -0.534 -0.092) 0.611 10.430 ( 0.283 0.534 -0.092) 0.611 10.502 ( -0.418 -0.716 -0.560) 1.000 10.502 ( -0.418 0.716 -0.560) 1.000 10.778 ( 0.027 -1.173 0.641) 1.337 10.778 ( 0.027 1.173 0.641) 1.337 10.857 ( 0.599 -0.629 -0.020) 0.869 10.857 ( 0.599 0.629 -0.020) 0.869 ======================= Grid point 13 (8/84) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 7.428 -1.453 4.584) 8.849 0.451 ( 7.428 1.453 4.584) 8.849 0.596 ( 6.100 -2.403 2.264) 6.936 0.596 ( 6.100 2.403 2.264) 6.936 0.741 ( 3.296 -1.365 4.185) 5.499 0.741 ( 3.296 1.365 4.185) 5.499 0.883 ( 3.715 -3.175 -0.187) 4.890 0.883 ( 3.715 3.175 -0.187) 4.890 0.987 ( 0.911 -2.713 2.127) 3.565 0.987 ( 0.911 2.713 2.127) 3.565 1.097 ( 9.998 -5.426 0.125) 11.377 1.097 ( 9.998 5.426 0.125) 11.377 1.305 ( 2.673 -0.316 0.942) 2.852 1.305 ( 2.673 0.316 0.942) 2.852 1.375 ( 1.119 -1.053 0.220) 1.552 1.375 ( 1.119 1.053 0.220) 1.552 1.700 ( 0.216 -2.048 0.034) 2.060 1.700 ( 0.216 2.048 0.034) 2.060 1.735 ( -1.728 -0.877 -1.124) 2.240 1.735 ( -1.728 0.877 -1.124) 2.240 1.816 ( -0.981 -0.839 0.283) 1.322 1.816 ( -0.981 0.839 0.283) 1.322 1.968 ( -2.150 -3.051 -0.665) 3.792 1.968 ( -2.150 3.051 -0.665) 3.792 2.141 ( -3.823 -1.814 -0.998) 4.348 2.141 ( -3.823 1.814 -0.998) 4.348 2.323 ( -4.597 -1.713 -1.531) 5.139 2.323 ( -4.597 1.713 -1.531) 5.139 3.064 ( -2.043 -0.735 -1.215) 2.488 3.064 ( -2.043 0.735 -1.215) 2.488 3.257 ( -1.440 -0.980 -1.057) 2.038 3.257 ( -1.440 0.980 -1.057) 2.038 3.511 ( -0.066 -0.331 0.666) 0.747 3.511 ( -0.066 0.331 0.666) 0.747 3.535 ( 0.022 -1.030 0.685) 1.237 3.535 ( 0.022 1.030 0.685) 1.237 3.577 ( 0.295 -1.594 -0.909) 1.858 3.577 ( 0.295 1.594 -0.909) 1.858 3.679 ( -0.902 -1.518 -0.357) 1.802 3.679 ( -0.902 1.518 -0.357) 1.802 3.861 ( -1.850 -0.893 -0.778) 2.197 3.861 ( -1.850 0.893 -0.778) 2.197 3.923 ( -1.057 -1.102 -0.135) 1.533 3.923 ( -1.057 1.102 -0.135) 1.533 5.436 ( -0.641 -0.146 0.072) 0.662 5.436 ( -0.641 0.146 0.072) 0.662 5.453 ( -0.758 -0.384 -0.604) 1.043 5.453 ( -0.758 0.384 -0.604) 1.043 5.593 ( 1.684 -0.981 0.862) 2.131 5.593 ( 1.684 0.981 0.862) 2.131 5.662 ( 1.924 -1.078 0.669) 2.304 5.662 ( 1.924 1.078 0.669) 2.304 6.868 ( -0.187 -0.213 -0.293) 0.408 6.868 ( -0.187 0.213 -0.293) 0.408 6.933 ( 0.020 -0.262 -0.026) 0.264 6.933 ( 0.020 0.262 -0.026) 0.264 7.101 ( -0.501 -0.266 -0.182) 0.595 7.101 ( -0.501 0.266 -0.182) 0.595 7.115 ( -0.575 -0.227 -0.115) 0.629 7.115 ( -0.575 0.227 -0.115) 0.629 8.167 ( 1.425 -0.197 1.183) 1.862 8.167 ( 1.425 0.197 1.183) 1.862 8.416 ( 2.669 -0.316 1.442) 3.051 8.416 ( 2.669 0.316 1.442) 3.051 8.569 ( 0.073 -0.115 0.208) 0.249 8.569 ( 0.073 0.115 0.208) 0.249 8.730 ( -2.447 -0.169 -1.931) 3.122 8.730 ( -2.447 0.169 -1.931) 3.122 9.661 ( 0.960 -0.335 0.311) 1.063 9.661 ( 0.960 0.335 0.311) 1.063 9.699 ( -1.093 -0.681 -0.292) 1.320 9.699 ( -1.093 0.681 -0.292) 1.320 9.733 ( 0.213 -0.370 0.241) 0.490 9.733 ( 0.213 0.370 0.241) 0.490 9.906 ( 1.380 -2.114 0.860) 2.667 9.906 ( 1.380 2.114 0.860) 2.667 10.433 ( 0.206 -0.310 0.036) 0.374 10.433 ( 0.206 0.310 0.036) 0.374 10.487 ( -0.499 -0.439 -0.762) 1.011 10.487 ( -0.499 0.439 -0.762) 1.011 10.795 ( 0.842 -1.168 1.186) 1.865 10.795 ( 0.842 1.168 1.186) 1.865 10.871 ( 0.800 -0.845 0.007) 1.164 10.871 ( 0.800 0.845 0.007) 1.164 ======================= Grid point 15 (9/84) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 6.918 -3.644 3.366) 8.513 0.625 ( 6.918 3.644 3.366) 8.513 0.696 ( 2.776 -0.973 2.239) 3.696 0.696 ( 2.776 0.973 2.239) 3.696 0.821 ( 1.842 -1.998 2.999) 4.048 0.821 ( 1.842 1.998 2.999) 4.048 0.936 ( 3.010 -5.272 1.760) 6.321 0.936 ( 3.010 5.272 1.760) 6.321 1.013 ( 1.439 -2.363 -0.482) 2.808 1.013 ( 1.439 2.363 -0.482) 2.808 1.213 ( 1.209 -3.354 -3.022) 4.674 1.213 ( 1.209 3.354 -3.022) 4.674 1.329 ( -0.130 -2.382 0.346) 2.410 1.329 ( -0.130 2.382 0.346) 2.410 1.400 ( 1.976 -0.665 -0.309) 2.107 1.400 ( 1.976 0.665 -0.309) 2.107 1.695 ( 0.657 -1.395 -0.751) 1.715 1.695 ( 0.657 1.395 -0.751) 1.715 1.732 ( 0.185 -0.179 1.104) 1.134 1.732 ( 0.185 0.179 1.104) 1.134 1.822 ( 0.969 -1.669 1.148) 2.245 1.822 ( 0.969 1.669 1.148) 2.245 1.935 ( -1.042 -1.767 0.177) 2.059 1.935 ( -1.042 1.767 0.177) 2.059 2.077 ( -2.293 -0.846 -0.715) 2.547 2.077 ( -2.293 0.846 -0.715) 2.547 2.233 ( -3.439 -1.199 -1.241) 3.847 2.233 ( -3.439 1.199 -1.241) 3.847 3.019 ( -1.751 -0.471 -0.914) 2.031 3.019 ( -1.751 0.471 -0.914) 2.031 3.242 ( 0.100 -0.615 -0.118) 0.634 3.242 ( 0.100 0.615 -0.118) 0.634 3.512 ( -0.588 -0.252 0.312) 0.711 3.512 ( -0.588 0.252 0.312) 0.711 3.537 ( -0.094 -0.603 0.641) 0.885 3.537 ( -0.094 0.603 0.641) 0.885 3.586 ( 1.363 -0.706 -0.602) 1.649 3.586 ( 1.363 0.706 -0.602) 1.649 3.655 ( -1.276 -1.030 -0.355) 1.678 3.655 ( -1.276 1.030 -0.355) 1.678 3.822 ( -1.421 -1.023 -0.669) 1.874 3.822 ( -1.421 1.023 -0.669) 1.874 3.890 ( -2.030 -1.088 -0.626) 2.387 3.890 ( -2.030 1.088 -0.626) 2.387 5.423 ( -0.653 -0.079 0.005) 0.658 5.423 ( -0.653 0.079 0.005) 0.658 5.436 ( -0.552 -0.319 -0.457) 0.784 5.436 ( -0.552 0.319 -0.457) 0.784 5.625 ( 1.107 -0.739 0.509) 1.425 5.625 ( 1.107 0.739 0.509) 1.425 5.701 ( 1.470 -0.657 0.577) 1.711 5.701 ( 1.470 0.657 0.577) 1.711 6.863 ( -0.138 -0.236 -0.216) 0.348 6.863 ( -0.138 0.236 -0.216) 0.348 6.934 ( 0.020 -0.180 -0.028) 0.183 6.934 ( 0.020 0.180 -0.028) 0.183 7.090 ( -0.453 -0.111 -0.094) 0.476 7.090 ( -0.453 0.111 -0.094) 0.476 7.106 ( -0.297 -0.119 -0.089) 0.332 7.106 ( -0.297 0.119 -0.089) 0.332 8.197 ( 0.901 -0.240 0.613) 1.116 8.197 ( 0.901 0.240 0.613) 1.116 8.469 ( 1.779 -0.163 1.038) 2.066 8.469 ( 1.779 0.163 1.038) 2.066 8.581 ( 0.899 -0.280 0.790) 1.229 8.581 ( 0.899 0.280 0.790) 1.229 8.669 ( -2.376 -0.194 -2.026) 3.129 8.669 ( -2.376 0.194 -2.026) 3.129 9.661 ( -0.467 -0.039 -0.221) 0.518 9.661 ( -0.467 0.039 -0.221) 0.518 9.683 ( -0.582 -0.317 -0.036) 0.663 9.683 ( -0.582 0.317 -0.036) 0.663 9.753 ( 1.124 -0.431 0.490) 1.300 9.753 ( 1.124 0.431 0.490) 1.300 9.924 ( 0.288 -1.424 0.248) 1.474 9.924 ( 0.288 1.424 0.248) 1.474 10.440 ( 0.379 -0.093 0.301) 0.493 10.440 ( 0.379 0.093 0.301) 0.493 10.473 ( -0.428 -0.158 -0.667) 0.808 10.473 ( -0.428 0.158 -0.667) 0.808 10.819 ( 0.727 -0.935 0.909) 1.493 10.819 ( 0.727 0.935 0.909) 1.493 10.883 ( 0.519 -0.971 -0.037) 1.102 10.883 ( 0.519 0.971 -0.037) 1.102 ======================= Grid point 17 (10/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.000 -5.706 -0.000) 5.706 0.700 ( 0.000 5.706 -0.000) 5.706 0.740 ( 0.000 -1.814 0.000) 1.814 0.740 ( 0.000 1.814 0.000) 1.814 0.851 ( 0.000 -0.550 -0.000) 0.550 0.851 ( 0.000 0.550 0.000) 0.550 0.977 ( 0.000 -3.061 0.000) 3.061 0.977 ( 0.000 3.061 -0.000) 3.061 1.038 ( 0.000 -1.285 0.000) 1.285 1.038 ( 0.000 1.285 0.000) 1.285 1.176 ( 0.000 -1.046 0.000) 1.046 1.176 ( -0.000 1.046 -0.000) 1.046 1.324 ( 0.000 -3.206 0.000) 3.206 1.324 ( 0.000 3.206 0.000) 3.206 1.422 ( 0.000 -1.724 0.000) 1.724 1.422 ( 0.000 1.724 0.000) 1.724 1.698 ( 0.000 -0.127 0.000) 0.127 1.698 ( 0.000 0.127 0.000) 0.127 1.746 ( 0.000 -0.904 0.000) 0.904 1.746 ( 0.000 0.904 0.000) 0.904 1.840 ( 0.000 -2.445 0.000) 2.445 1.840 ( 0.000 2.445 0.000) 2.445 1.930 ( 0.000 -0.945 0.000) 0.945 1.930 ( 0.000 0.945 0.000) 0.945 2.052 ( 0.000 -1.308 0.000) 1.308 2.052 ( 0.000 1.308 0.000) 1.308 2.196 ( 0.000 -0.534 0.000) 0.534 2.196 ( 0.000 0.534 0.000) 0.534 2.998 ( 0.000 -0.134 0.000) 0.134 2.998 ( 0.000 0.134 0.000) 0.134 3.246 ( 0.000 -0.346 0.000) 0.346 3.246 ( 0.000 0.346 0.000) 0.346 3.503 ( 0.000 -0.701 0.000) 0.701 3.503 ( 0.000 0.701 0.000) 0.701 3.539 ( 0.000 -0.397 0.000) 0.397 3.539 ( 0.000 0.397 0.000) 0.397 3.612 ( 0.000 -0.104 0.000) 0.104 3.612 ( 0.000 0.104 0.000) 0.104 3.629 ( -0.000 -0.514 0.000) 0.514 3.629 ( -0.000 0.514 0.000) 0.514 3.809 ( 0.000 -0.044 0.000) 0.044 3.809 ( 0.000 0.044 0.000) 0.044 3.862 ( 0.000 -0.015 0.000) 0.015 3.862 ( 0.000 0.015 0.000) 0.015 5.417 ( 0.000 -0.190 0.000) 0.190 5.417 ( 0.000 0.190 0.000) 0.190 5.429 ( 0.000 -0.249 0.000) 0.249 5.429 ( 0.000 0.249 0.000) 0.249 5.637 ( 0.000 -0.645 0.000) 0.645 5.637 ( 0.000 0.645 0.000) 0.645 5.717 ( 0.000 -0.298 0.000) 0.298 5.717 ( 0.000 0.298 0.000) 0.298 6.861 ( 0.000 -0.251 0.000) 0.251 6.861 ( 0.000 0.251 0.000) 0.251 6.934 ( 0.000 -0.171 0.000) 0.171 6.934 ( 0.000 0.171 0.000) 0.171 7.085 ( 0.000 -0.038 0.000) 0.038 7.085 ( 0.000 0.038 0.000) 0.038 7.103 ( 0.000 -0.047 0.000) 0.047 7.103 ( 0.000 0.047 0.000) 0.047 8.207 ( 0.000 -0.259 0.000) 0.259 8.207 ( 0.000 0.259 0.000) 0.259 8.490 ( 0.000 -0.093 0.000) 0.093 8.490 ( 0.000 0.093 0.000) 0.093 8.611 ( -0.000 -0.000 -0.000) 0.000 8.611 ( 0.000 0.000 -0.000) 0.000 8.621 ( 0.000 -0.177 0.000) 0.177 8.621 ( 0.000 0.177 0.000) 0.177 9.654 ( 0.000 -0.252 0.000) 0.252 9.654 ( 0.000 0.252 0.000) 0.252 9.677 ( 0.000 -0.169 0.000) 0.169 9.677 ( 0.000 0.169 0.000) 0.169 9.767 ( 0.000 -0.196 0.000) 0.196 9.767 ( 0.000 0.196 0.000) 0.196 9.927 ( 0.000 -1.161 0.000) 1.161 9.927 ( 0.000 1.161 0.000) 1.161 10.447 ( 0.000 -0.067 0.000) 0.067 10.447 ( 0.000 0.067 0.000) 0.067 10.465 ( 0.000 -0.072 0.000) 0.072 10.465 ( 0.000 0.072 0.000) 0.072 10.830 ( 0.000 -0.799 0.000) 0.799 10.830 ( 0.000 0.799 0.000) 0.799 10.888 ( 0.000 -1.005 0.000) 1.005 10.888 ( 0.000 1.005 0.000) 1.005 ======================= Grid point 27 (11/84) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( 8.561 0.000 12.958) 15.531 0.259 ( 0.176 0.000 12.579) 12.580 0.422 ( -1.482 0.000 17.734) 17.796 0.624 ( -5.123 0.000 8.565) 9.980 0.647 ( -2.482 0.000 5.388) 5.933 0.656 ( -0.383 0.000 6.066) 6.078 0.707 ( 2.044 0.000 3.281) 3.866 0.794 ( -3.434 0.000 3.554) 4.942 0.871 ( -2.203 0.000 7.341) 7.664 0.972 ( 5.530 0.000 0.512) 5.554 1.044 ( -2.068 0.000 0.417) 2.110 1.117 ( -3.220 0.000 4.771) 5.756 1.188 ( -2.204 0.000 -0.299) 2.224 1.237 ( 2.004 0.000 1.310) 2.395 1.271 ( 1.466 0.000 5.150) 5.355 1.390 ( -0.666 0.000 -0.395) 0.774 1.671 ( -0.138 0.000 0.845) 0.856 1.742 ( 1.184 0.000 0.342) 1.233 1.786 ( -1.235 0.000 -0.527) 1.343 1.817 ( 0.971 0.000 0.449) 1.070 1.818 ( -1.161 0.000 -0.568) 1.292 1.892 ( -1.581 0.000 0.293) 1.608 1.927 ( -0.563 0.000 -0.789) 0.969 2.079 ( -0.784 0.000 0.123) 0.794 2.227 ( -1.338 0.000 -2.096) 2.487 2.257 ( 1.051 0.000 -0.959) 1.423 2.390 ( -0.669 0.000 -2.269) 2.366 2.427 ( 0.240 0.000 -1.818) 1.834 3.117 ( -1.479 0.000 0.485) 1.557 3.142 ( -1.270 0.000 0.487) 1.360 3.298 ( -1.475 0.000 -1.977) 2.467 3.319 ( -0.573 0.000 -1.328) 1.446 3.480 ( 2.293 0.000 0.594) 2.369 3.490 ( 0.794 0.000 0.798) 1.126 3.522 ( -0.164 0.000 0.932) 0.946 3.540 ( -0.224 0.000 1.051) 1.075 3.579 ( -0.183 0.000 -0.353) 0.398 3.630 ( 0.420 0.000 -1.239) 1.308 3.689 ( 0.479 0.000 -0.083) 0.486 3.692 ( -2.511 0.000 -1.589) 2.971 3.890 ( 0.327 0.000 -0.638) 0.717 3.897 ( -0.337 0.000 -0.691) 0.769 3.904 ( 1.994 0.000 -0.298) 2.016 3.915 ( 0.432 0.000 -0.331) 0.544 5.448 ( -0.090 0.000 1.046) 1.050 5.469 ( -0.319 0.000 1.204) 1.245 5.469 ( -0.382 0.000 0.565) 0.682 5.488 ( -1.013 0.000 1.510) 1.818 5.551 ( 0.033 0.000 1.020) 1.021 5.572 ( 0.411 0.000 1.200) 1.268 5.607 ( -0.456 0.000 0.352) 0.576 5.633 ( 0.261 0.000 0.100) 0.279 6.867 ( -0.006 0.000 -0.339) 0.339 6.876 ( -0.131 0.000 -0.439) 0.458 6.922 ( 0.294 0.000 -0.409) 0.504 6.935 ( 0.136 0.000 -0.442) 0.462 7.108 ( 0.009 0.000 -0.186) 0.186 7.115 ( -0.320 0.000 0.103) 0.336 7.124 ( -0.069 0.000 -0.339) 0.346 7.133 ( 0.011 0.000 -0.052) 0.053 8.149 ( -0.640 0.000 2.582) 2.660 8.262 ( -2.249 0.000 0.764) 2.375 8.305 ( 1.786 0.000 -2.053) 2.721 8.333 ( 1.689 0.000 -1.215) 2.080 8.599 ( -0.966 0.000 2.020) 2.239 8.616 ( -1.631 0.000 4.088) 4.402 8.811 ( -2.150 0.000 2.493) 3.292 8.832 ( -2.388 0.000 0.153) 2.393 9.594 ( 0.971 0.000 -0.591) 1.136 9.610 ( 1.003 0.000 0.137) 1.012 9.712 ( -0.544 0.000 -1.630) 1.718 9.738 ( -0.415 0.000 -0.419) 0.589 9.739 ( 0.306 0.000 -0.926) 0.975 9.748 ( -0.337 0.000 -0.178) 0.381 9.776 ( 6.635 0.000 -2.034) 6.940 9.784 ( 2.883 0.000 -1.320) 3.171 10.424 ( -0.369 0.000 1.076) 1.138 10.443 ( 0.088 0.000 -0.169) 0.191 10.494 ( -0.565 0.000 0.293) 0.636 10.510 ( -0.347 0.000 -0.871) 0.937 10.788 ( -1.122 0.000 5.073) 5.195 10.865 ( -1.885 0.000 3.904) 4.335 10.875 ( -1.505 0.000 3.195) 3.532 10.895 ( -1.634 0.000 3.523) 3.883 ======================= Grid point 28 (12/84) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 7.238 0.000 12.241) 14.221 0.461 ( 6.269 0.000 8.940) 10.919 0.558 ( -4.886 0.000 1.465) 5.101 0.661 ( -2.408 0.000 8.445) 8.781 0.691 ( 9.246 0.000 14.162) 16.913 0.752 ( 7.687 0.000 3.615) 8.494 0.777 ( -1.725 0.000 5.346) 5.618 0.790 ( 4.175 0.000 2.820) 5.038 0.907 ( -0.431 0.000 6.800) 6.814 1.067 ( 2.471 0.000 4.539) 5.168 1.071 ( 3.645 0.000 -0.083) 3.645 1.127 ( -3.014 0.000 2.162) 3.709 1.171 ( 5.098 0.000 1.413) 5.290 1.291 ( 2.399 0.000 1.156) 2.663 1.340 ( 1.682 0.000 4.079) 4.412 1.377 ( -0.157 0.000 -0.132) 0.205 1.676 ( -0.475 0.000 -0.118) 0.490 1.742 ( -1.328 0.000 -0.053) 1.329 1.754 ( -0.894 0.000 0.740) 1.160 1.779 ( -1.918 0.000 -1.501) 2.436 1.825 ( -1.095 0.000 0.035) 1.095 1.862 ( -1.383 0.000 0.935) 1.670 1.912 ( -0.486 0.000 -0.674) 0.831 2.050 ( -2.369 0.000 -0.280) 2.385 2.168 ( -3.063 0.000 -1.812) 3.559 2.226 ( -2.565 0.000 -2.464) 3.557 2.329 ( -3.299 0.000 -3.156) 4.566 2.384 ( -2.794 0.000 -3.156) 4.215 3.084 ( -2.153 0.000 0.223) 2.164 3.113 ( -2.110 0.000 0.450) 2.158 3.248 ( -1.694 0.000 -1.826) 2.491 3.286 ( -1.430 0.000 -1.285) 1.922 3.506 ( 1.168 0.000 -1.696) 2.059 3.518 ( -0.394 0.000 -0.074) 0.401 3.521 ( 1.018 0.000 0.345) 1.075 3.543 ( -0.082 0.000 0.748) 0.753 3.571 ( -0.688 0.000 0.812) 1.064 3.621 ( -0.717 0.000 -0.837) 1.103 3.646 ( -1.158 0.000 0.052) 1.159 3.701 ( 0.273 0.000 -0.027) 0.274 3.871 ( -1.585 0.000 -1.090) 1.924 3.887 ( -0.204 0.000 -0.730) 0.758 3.913 ( -0.475 0.000 -0.622) 0.782 3.934 ( 1.082 0.000 -0.804) 1.348 5.454 ( -0.377 0.000 1.416) 1.465 5.462 ( -0.984 0.000 0.809) 1.274 5.469 ( -0.777 0.000 1.248) 1.470 5.476 ( -1.349 0.000 0.774) 1.556 5.569 ( 0.941 0.000 1.495) 1.767 5.607 ( 2.130 0.000 1.562) 2.641 5.609 ( 0.338 0.000 0.517) 0.618 5.649 ( 1.399 0.000 0.185) 1.411 6.863 ( -0.093 0.000 -0.454) 0.463 6.869 ( -0.152 0.000 -0.569) 0.589 6.924 ( 0.291 0.000 -0.407) 0.500 6.933 ( 0.104 0.000 -0.534) 0.544 7.104 ( -0.245 0.000 -0.288) 0.378 7.111 ( -0.331 0.000 0.150) 0.364 7.116 ( -0.558 0.000 -0.395) 0.684 7.128 ( -0.459 0.000 -0.193) 0.498 8.166 ( 0.278 0.000 2.214) 2.231 8.220 ( -2.446 0.000 3.548) 4.310 8.340 ( 3.442 0.000 -1.760) 3.866 8.370 ( 2.997 0.000 -0.856) 3.117 8.595 ( -1.074 0.000 2.207) 2.455 8.622 ( -1.426 0.000 4.698) 4.909 8.777 ( -3.391 0.000 -0.063) 3.392 8.780 ( -3.088 0.000 2.063) 3.714 9.621 ( 2.085 0.000 -0.493) 2.142 9.644 ( 2.208 0.000 0.279) 2.225 9.690 ( -0.666 0.000 -1.369) 1.522 9.722 ( -0.739 0.000 -0.870) 1.141 9.734 ( -0.524 0.000 -0.352) 0.631 9.735 ( -0.167 0.000 -0.466) 0.495 9.828 ( 3.148 0.000 -1.634) 3.547 9.867 ( 4.791 0.000 -4.665) 6.687 10.430 ( 0.040 0.000 0.878) 0.879 10.442 ( -0.060 0.000 -0.110) 0.125 10.484 ( -0.592 0.000 0.081) 0.597 10.492 ( -0.601 0.000 -1.187) 1.331 10.814 ( -0.646 0.000 5.480) 5.517 10.866 ( -1.651 0.000 5.342) 5.592 10.876 ( -1.083 0.000 3.115) 3.297 10.901 ( -0.715 0.000 3.306) 3.383 ======================= Grid point 29 (13/84) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -0.868 0.000 2.017) 2.196 0.637 ( 7.406 0.000 3.776) 8.313 0.684 ( 9.022 0.000 9.999) 13.467 0.702 ( 0.435 0.000 7.336) 7.349 0.804 ( 0.885 0.000 2.578) 2.726 0.820 ( -1.978 0.000 3.696) 4.192 0.834 ( 3.775 0.000 1.604) 4.101 0.948 ( -0.530 0.000 5.915) 5.939 0.991 ( 8.026 0.000 1.586) 8.181 1.067 ( 0.300 0.000 1.007) 1.050 1.113 ( -1.898 0.000 3.836) 4.280 1.244 ( 7.811 0.000 4.793) 9.164 1.262 ( 4.620 0.000 -1.694) 4.921 1.325 ( -0.270 0.000 0.219) 0.347 1.356 ( -1.937 0.000 0.275) 1.956 1.395 ( 1.719 0.000 -0.024) 1.719 1.657 ( -0.018 0.000 -0.034) 0.038 1.724 ( -1.063 0.000 0.741) 1.296 1.749 ( 0.224 0.000 1.447) 1.464 1.755 ( -1.491 0.000 0.842) 1.712 1.812 ( 0.164 0.000 1.938) 1.945 1.861 ( -0.007 0.000 1.834) 1.834 1.899 ( -0.407 0.000 -0.430) 0.592 1.997 ( -2.834 0.000 -0.408) 2.864 2.103 ( -2.548 0.000 -1.233) 2.831 2.148 ( -3.536 0.000 -2.029) 4.077 2.238 ( -3.436 0.000 -3.363) 4.808 2.289 ( -4.069 0.000 -3.846) 5.599 3.047 ( -2.253 0.000 0.730) 2.368 3.074 ( -2.738 0.000 1.009) 2.918 3.224 ( 0.064 0.000 -0.310) 0.316 3.261 ( -0.642 0.000 0.088) 0.648 3.515 ( 0.289 0.000 -0.261) 0.390 3.517 ( 1.699 0.000 -1.213) 2.088 3.535 ( 0.818 0.000 -0.297) 0.870 3.545 ( -0.664 0.000 1.022) 1.219 3.568 ( -0.555 0.000 1.152) 1.279 3.593 ( -0.988 0.000 -1.471) 1.772 3.635 ( -0.609 0.000 0.357) 0.706 3.689 ( -1.257 0.000 -0.704) 1.440 3.828 ( -1.988 0.000 -1.207) 2.326 3.867 ( -1.151 0.000 -0.982) 1.512 3.884 ( -1.909 0.000 -1.152) 2.230 3.926 ( -1.113 0.000 -1.047) 1.528 5.447 ( -1.206 0.000 0.984) 1.557 5.452 ( -1.727 0.000 0.702) 1.864 5.455 ( -0.995 0.000 1.864) 2.113 5.461 ( -1.071 0.000 0.933) 1.420 5.602 ( 1.245 0.000 1.249) 1.763 5.626 ( 0.884 0.000 0.573) 1.054 5.663 ( 2.411 0.000 1.204) 2.695 5.682 ( 1.839 0.000 0.118) 1.843 6.856 ( -0.107 0.000 -0.529) 0.539 6.864 ( 0.013 0.000 -0.428) 0.428 6.926 ( 0.260 0.000 -0.359) 0.443 6.931 ( 0.160 0.000 -0.539) 0.562 7.095 ( -0.422 0.000 -0.249) 0.489 7.101 ( -0.688 0.000 -0.360) 0.777 7.106 ( -0.244 0.000 0.161) 0.292 7.116 ( -0.572 0.000 -0.290) 0.641 8.188 ( 0.520 0.000 1.310) 1.409 8.221 ( -0.616 0.000 2.808) 2.875 8.392 ( 3.655 0.000 -2.339) 4.340 8.418 ( 2.958 0.000 -1.413) 3.278 8.600 ( -0.500 0.000 2.930) 2.973 8.639 ( -0.962 0.000 5.594) 5.676 8.712 ( -3.587 0.000 0.058) 3.588 8.736 ( -3.498 0.000 2.460) 4.277 9.649 ( 1.211 0.000 -0.706) 1.402 9.668 ( -0.781 0.000 -0.787) 1.108 9.675 ( 0.800 0.000 -0.321) 0.862 9.701 ( -0.834 0.000 -0.652) 1.059 9.728 ( 0.535 0.000 -0.185) 0.566 9.741 ( 0.979 0.000 -0.230) 1.005 9.860 ( 2.259 0.000 -2.812) 3.607 9.895 ( 2.493 0.000 -4.347) 5.011 10.440 ( 0.219 0.000 1.060) 1.082 10.442 ( 0.086 0.000 0.023) 0.089 10.473 ( -0.450 0.000 -1.084) 1.174 10.476 ( -0.448 0.000 0.169) 0.479 10.843 ( -0.822 0.000 5.122) 5.187 10.881 ( -1.237 0.000 4.736) 4.894 10.883 ( -0.816 0.000 3.171) 3.275 10.917 ( -0.507 0.000 3.421) 3.458 ======================= Grid point 30 (14/84) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 3.519 0.000 1.371) 3.776 0.728 ( -0.580 0.000 -3.191) 3.244 0.753 ( -2.171 0.000 3.253) 3.911 0.802 ( 2.722 0.000 0.137) 2.725 0.807 ( 2.831 0.000 1.518) 3.212 0.898 ( 0.854 0.000 0.735) 1.127 0.935 ( 4.315 0.000 8.069) 9.150 0.979 ( 1.027 0.000 4.107) 4.233 1.069 ( -0.466 0.000 -1.074) 1.171 1.069 ( -1.360 0.000 -0.247) 1.382 1.116 ( 3.558 0.000 3.272) 4.834 1.256 ( -5.646 0.000 -0.453) 5.664 1.295 ( -1.548 0.000 1.268) 2.001 1.324 ( 2.137 0.000 0.325) 2.161 1.403 ( 1.615 0.000 0.207) 1.628 1.410 ( 2.951 0.000 -0.775) 3.051 1.687 ( 2.014 0.000 1.309) 2.402 1.729 ( -1.804 0.000 1.016) 2.070 1.733 ( 1.001 0.000 2.041) 2.273 1.785 ( -0.157 0.000 3.232) 3.236 1.823 ( -0.813 0.000 1.576) 1.773 1.887 ( 0.425 0.000 1.640) 1.695 1.893 ( 0.151 0.000 -0.780) 0.795 1.954 ( -1.582 0.000 0.182) 1.593 2.059 ( -1.483 0.000 -0.571) 1.589 2.086 ( -1.644 0.000 -1.087) 1.971 2.173 ( -0.851 0.000 -2.707) 2.838 2.200 ( -2.090 0.000 -3.053) 3.699 3.019 ( -1.554 0.000 1.710) 2.310 3.037 ( -2.323 0.000 1.893) 2.996 3.238 ( 0.770 0.000 0.853) 1.149 3.261 ( -0.214 0.000 0.985) 1.008 3.508 ( -1.144 0.000 -0.005) 1.144 3.532 ( -0.102 0.000 0.327) 0.343 3.537 ( -0.746 0.000 0.803) 1.096 3.562 ( -0.857 0.000 0.852) 1.209 3.569 ( 2.915 0.000 -0.302) 2.931 3.585 ( 1.541 0.000 -1.076) 1.879 3.623 ( -0.632 0.000 -0.774) 0.999 3.653 ( -1.680 0.000 -1.243) 2.090 3.796 ( -0.210 0.000 -0.646) 0.679 3.834 ( -2.161 0.000 -1.175) 2.460 3.845 ( -0.069 0.000 -0.546) 0.550 3.886 ( -2.029 0.000 -1.044) 2.282 5.429 ( -1.196 0.000 0.761) 1.418 5.436 ( -0.966 0.000 1.364) 1.671 5.449 ( -0.913 0.000 1.030) 1.377 5.451 ( -1.036 0.000 2.146) 2.383 5.625 ( 0.479 0.000 0.523) 0.709 5.646 ( 0.624 0.000 0.603) 0.868 5.700 ( 1.023 0.000 -0.356) 1.083 5.712 ( 1.184 0.000 0.401) 1.250 6.853 ( 0.122 0.000 -0.366) 0.386 6.862 ( 0.116 0.000 -0.230) 0.257 6.927 ( 0.162 0.000 -0.450) 0.478 6.932 ( 0.269 0.000 -0.334) 0.429 7.087 ( -0.304 0.000 -0.196) 0.362 7.088 ( -0.378 0.000 -0.272) 0.465 7.105 ( -0.090 0.000 0.237) 0.253 7.105 ( -0.323 0.000 -0.299) 0.440 8.201 ( 0.162 0.000 0.482) 0.508 8.230 ( -0.499 0.000 1.803) 1.870 8.426 ( 2.411 0.000 -3.510) 4.258 8.449 ( 1.989 0.000 -2.224) 2.983 8.624 ( 0.318 0.000 3.616) 3.630 8.653 ( -3.152 0.000 0.877) 3.272 8.670 ( -0.822 0.000 5.620) 5.680 8.697 ( -3.110 0.000 3.959) 5.035 9.652 ( -0.440 0.000 -0.295) 0.530 9.655 ( 0.134 0.000 -0.396) 0.418 9.675 ( -0.096 0.000 -0.279) 0.295 9.685 ( -0.507 0.000 -0.258) 0.569 9.745 ( 1.321 0.000 -0.806) 1.548 9.756 ( 0.839 0.000 -0.938) 1.258 9.869 ( 1.598 0.000 -3.611) 3.949 9.900 ( 1.874 0.000 -4.194) 4.593 10.444 ( 0.038 0.000 -0.263) 0.266 10.453 ( 0.156 0.000 0.915) 0.928 10.463 ( 0.081 0.000 -0.328) 0.338 10.471 ( -0.274 0.000 0.571) 0.633 10.857 ( -1.554 0.000 3.733) 4.044 10.888 ( -1.539 0.000 3.514) 3.836 10.894 ( -0.917 0.000 3.764) 3.874 10.932 ( -0.890 0.000 3.650) 3.757 ======================= Grid point 31 (15/84) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -0.380 0.000 -2.281) 2.312 0.670 ( -0.945 0.000 -7.569) 7.628 0.685 ( -4.553 0.000 -0.157) 4.555 0.816 ( -1.322 0.000 -1.084) 1.710 0.836 ( -1.737 0.000 2.921) 3.398 0.912 ( -1.295 0.000 3.810) 4.024 0.912 ( -6.075 0.000 1.898) 6.364 0.998 ( -0.470 0.000 1.224) 1.311 1.041 ( -2.210 0.000 -2.108) 3.054 1.139 ( -4.313 0.000 -1.209) 4.479 1.184 ( 2.787 0.000 0.459) 2.825 1.192 ( 5.302 0.000 6.702) 8.546 1.320 ( 0.847 0.000 3.393) 3.497 1.364 ( 1.592 0.000 1.972) 2.534 1.371 ( -0.920 0.000 -2.678) 2.831 1.476 ( 1.310 0.000 1.679) 2.130 1.700 ( -1.986 0.000 0.875) 2.170 1.735 ( 1.504 0.000 1.979) 2.486 1.746 ( -1.816 0.000 1.496) 2.353 1.767 ( -3.161 0.000 0.884) 3.282 1.810 ( -1.393 0.000 0.615) 1.522 1.874 ( -2.471 0.000 -0.268) 2.486 1.891 ( 0.435 0.000 -0.670) 0.799 1.944 ( -0.088 0.000 0.998) 1.002 2.050 ( 0.590 0.000 0.672) 0.894 2.068 ( 0.699 0.000 -1.485) 1.641 2.160 ( 1.618 0.000 -2.110) 2.659 2.192 ( 2.727 0.000 -0.785) 2.838 3.023 ( -0.017 0.000 2.659) 2.659 3.028 ( -0.307 0.000 2.715) 2.733 3.249 ( -0.528 0.000 0.754) 0.920 3.257 ( -0.685 0.000 0.554) 0.881 3.499 ( 0.159 0.000 0.353) 0.387 3.523 ( -0.890 0.000 -0.269) 0.929 3.531 ( -0.500 0.000 0.595) 0.777 3.544 ( -1.117 0.000 -0.055) 1.119 3.603 ( -0.556 0.000 -0.635) 0.844 3.612 ( 0.064 0.000 -0.340) 0.346 3.617 ( 1.653 0.000 0.079) 1.655 3.629 ( 1.917 0.000 -0.634) 2.020 3.801 ( -0.301 0.000 -0.469) 0.557 3.815 ( 2.097 0.000 0.124) 2.101 3.855 ( -0.340 0.000 -0.212) 0.400 3.866 ( 2.150 0.000 0.190) 2.158 5.423 ( -0.247 0.000 0.993) 1.023 5.434 ( -0.515 0.000 1.599) 1.680 5.447 ( -0.208 0.000 1.156) 1.175 5.452 ( -0.701 0.000 2.317) 2.420 5.627 ( -0.579 0.000 0.114) 0.590 5.652 ( -0.344 0.000 0.349) 0.490 5.696 ( -0.716 0.000 -1.222) 1.416 5.722 ( -0.314 0.000 -0.224) 0.385 6.855 ( 0.321 0.000 -0.124) 0.345 6.864 ( 0.237 0.000 -0.021) 0.238 6.926 ( 0.173 0.000 -0.434) 0.467 6.934 ( 0.185 0.000 -0.263) 0.321 7.083 ( 0.075 0.000 -0.138) 0.157 7.084 ( 0.214 0.000 -0.172) 0.274 7.101 ( 0.134 0.000 -0.222) 0.259 7.107 ( 0.070 0.000 0.338) 0.345 8.201 ( -0.526 0.000 0.139) 0.544 8.228 ( -1.039 0.000 1.276) 1.646 8.424 ( 0.818 0.000 -4.335) 4.411 8.453 ( 0.519 0.000 -2.842) 2.889 8.609 ( -2.384 0.000 1.293) 2.712 8.660 ( -3.034 0.000 3.866) 4.915 8.669 ( 1.081 0.000 4.230) 4.366 8.716 ( -0.428 0.000 6.412) 6.426 9.649 ( 0.358 0.000 -0.174) 0.398 9.652 ( 0.064 0.000 -0.626) 0.629 9.674 ( 0.119 0.000 -0.109) 0.161 9.680 ( 0.125 0.000 -0.002) 0.125 9.752 ( -0.166 0.000 -1.209) 1.221 9.755 ( 0.392 0.000 -1.429) 1.481 9.865 ( 1.143 0.000 -3.972) 4.134 9.903 ( 1.920 0.000 -4.006) 4.442 10.438 ( -0.138 0.000 -0.657) 0.671 10.451 ( -0.632 0.000 0.313) 0.706 10.472 ( 0.635 0.000 0.414) 0.758 10.479 ( 0.174 0.000 1.272) 1.284 10.846 ( -2.256 0.000 2.775) 3.576 10.879 ( -2.074 0.000 2.726) 3.425 10.903 ( -1.478 0.000 3.877) 4.149 10.938 ( -1.546 0.000 3.550) 3.872 ======================= Grid point 32 (16/84) ======================= q-point: (-0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -5.134 0.000 -2.976) 5.934 0.556 ( -4.895 0.000 -7.510) 8.964 0.631 ( -3.509 0.000 4.817) 5.960 0.761 ( -8.439 0.000 2.280) 8.742 0.804 ( 0.054 0.000 -3.496) 3.497 0.822 ( -4.655 0.000 3.829) 6.027 0.901 ( -2.008 0.000 6.768) 7.060 0.962 ( -5.500 0.000 -0.441) 5.518 0.993 ( -2.905 0.000 2.850) 4.070 1.060 ( -2.940 0.000 -1.157) 3.160 1.190 ( -4.513 0.000 -0.334) 4.525 1.280 ( 0.620 0.000 -0.003) 0.620 1.314 ( -0.426 0.000 -3.613) 3.638 1.349 ( -3.300 0.000 1.868) 3.792 1.407 ( -0.466 0.000 2.989) 3.025 1.434 ( -6.001 0.000 0.358) 6.012 1.677 ( -1.209 0.000 1.302) 1.777 1.724 ( -0.885 0.000 0.686) 1.119 1.743 ( 1.100 0.000 2.183) 2.444 1.756 ( -0.858 0.000 0.676) 1.092 1.809 ( 0.914 0.000 0.395) 0.996 1.816 ( -1.897 0.000 0.609) 1.993 1.898 ( 0.328 0.000 0.828) 0.891 1.972 ( 2.303 0.000 1.490) 2.743 2.068 ( 1.853 0.000 -1.195) 2.205 2.111 ( 4.055 0.000 0.421) 4.076 2.205 ( 4.387 0.000 -0.922) 4.483 2.266 ( 5.089 0.000 0.037) 5.089 3.052 ( 0.880 0.000 2.914) 3.044 3.064 ( 1.427 0.000 2.679) 3.035 3.241 ( -0.190 0.000 0.695) 0.721 3.258 ( 0.549 0.000 0.496) 0.740 3.498 ( -0.620 0.000 -1.516) 1.638 3.506 ( 0.355 0.000 -0.465) 0.585 3.523 ( -0.496 0.000 0.267) 0.563 3.535 ( 0.358 0.000 -0.571) 0.674 3.589 ( -1.058 0.000 0.591) 1.212 3.622 ( 0.860 0.000 1.005) 1.323 3.631 ( 0.078 0.000 0.125) 0.148 3.670 ( 2.120 0.000 -0.215) 2.131 3.818 ( 1.879 0.000 0.347) 1.911 3.860 ( 2.466 0.000 -0.020) 2.466 3.868 ( 1.265 0.000 0.433) 1.337 3.909 ( 2.097 0.000 -0.181) 2.105 5.434 ( 0.434 0.000 1.108) 1.190 5.440 ( -0.246 0.000 1.497) 1.517 5.460 ( 0.497 0.000 1.268) 1.362 5.460 ( -0.360 0.000 2.154) 2.184 5.606 ( -1.711 0.000 -0.034) 1.712 5.641 ( -1.021 0.000 0.254) 1.053 5.658 ( -2.072 0.000 -1.492) 2.554 5.700 ( -1.492 0.000 -0.771) 1.679 6.861 ( 0.351 0.000 -0.000) 0.351 6.870 ( 0.291 0.000 0.100) 0.308 6.926 ( 0.113 0.000 -0.434) 0.448 6.935 ( 0.149 0.000 -0.267) 0.306 7.087 ( 0.447 0.000 -0.073) 0.453 7.093 ( 0.794 0.000 -0.082) 0.798 7.106 ( 0.512 0.000 -0.109) 0.523 7.112 ( 0.156 0.000 0.383) 0.414 8.185 ( -1.366 0.000 0.475) 1.446 8.211 ( -1.926 0.000 1.157) 2.247 8.393 ( -0.382 0.000 -4.440) 4.456 8.424 ( -1.091 0.000 -3.190) 3.372 8.586 ( -1.354 0.000 1.711) 2.182 8.637 ( -2.864 0.000 4.111) 5.011 8.727 ( 1.642 0.000 4.013) 4.336 8.760 ( -0.130 0.000 5.810) 5.811 9.649 ( 0.285 0.000 -1.331) 1.361 9.663 ( 1.346 0.000 -0.380) 1.399 9.673 ( -0.202 0.000 -0.622) 0.654 9.689 ( 0.840 0.000 0.131) 0.850 9.731 ( -0.708 0.000 -0.852) 1.107 9.744 ( -0.486 0.000 -1.041) 1.149 9.849 ( 0.428 0.000 -4.192) 4.213 9.904 ( 1.484 0.000 -4.224) 4.477 10.433 ( 0.154 0.000 -0.547) 0.568 10.442 ( -0.593 0.000 0.414) 0.723 10.488 ( 0.775 0.000 0.487) 0.916 10.491 ( 0.005 0.000 1.298) 1.298 10.821 ( -2.668 0.000 2.633) 3.748 10.858 ( -2.366 0.000 2.682) 3.577 10.900 ( -1.972 0.000 3.643) 4.142 10.931 ( -2.115 0.000 3.370) 3.979 ======================= Grid point 33 (17/84) ======================= q-point: (-0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -7.975 0.000 3.060) 8.541 0.395 ( -8.324 0.000 -2.173) 8.603 0.602 ( -5.650 0.000 8.023) 9.813 0.675 ( -2.044 0.000 4.194) 4.665 0.729 ( -6.377 0.000 1.125) 6.476 0.790 ( -2.672 0.000 5.636) 6.238 0.823 ( -8.776 0.000 -0.994) 8.832 0.925 ( -10.790 0.000 -0.329) 10.795 0.934 ( -5.288 0.000 3.026) 6.092 0.994 ( -4.274 0.000 -0.363) 4.290 1.016 ( -2.577 0.000 3.417) 4.280 1.247 ( -7.648 0.000 2.336) 7.997 1.249 ( -1.774 0.000 -2.330) 2.928 1.283 ( -0.863 0.000 -2.697) 2.831 1.344 ( -7.315 0.000 0.524) 7.334 1.380 ( 0.158 0.000 -0.659) 0.677 1.682 ( 0.273 0.000 1.562) 1.586 1.729 ( 0.428 0.000 0.900) 0.996 1.732 ( -0.895 0.000 -0.163) 0.909 1.800 ( 1.787 0.000 2.184) 2.822 1.814 ( 1.200 0.000 0.427) 1.274 1.861 ( 1.769 0.000 2.638) 3.176 1.919 ( 1.036 0.000 1.051) 1.476 2.034 ( 2.520 0.000 1.267) 2.821 2.122 ( 4.770 0.000 0.012) 4.770 2.192 ( 4.126 0.000 -0.350) 4.140 2.294 ( 5.427 0.000 -0.298) 5.435 2.356 ( 4.598 0.000 -0.569) 4.633 3.093 ( 1.032 0.000 2.558) 2.759 3.110 ( 1.370 0.000 2.125) 2.528 3.264 ( 1.772 0.000 1.207) 2.144 3.288 ( 1.965 0.000 0.580) 2.049 3.487 ( 0.522 0.000 -1.442) 1.534 3.509 ( 0.579 0.000 -0.406) 0.707 3.518 ( -0.319 0.000 0.065) 0.326 3.537 ( -0.053 0.000 -1.129) 1.130 3.571 ( -1.199 0.000 0.745) 1.412 3.641 ( 0.203 0.000 0.670) 0.700 3.642 ( 1.336 0.000 0.744) 1.529 3.695 ( 0.772 0.000 -0.426) 0.881 3.859 ( 2.102 0.000 0.246) 2.117 3.888 ( 0.607 0.000 -0.182) 0.634 3.896 ( 1.510 0.000 -0.456) 1.577 3.928 ( 0.453 0.000 -1.244) 1.324 5.445 ( -0.340 0.000 1.083) 1.135 5.451 ( 0.384 0.000 1.097) 1.162 5.469 ( -0.291 0.000 1.471) 1.499 5.481 ( 0.536 0.000 1.340) 1.444 5.571 ( -1.982 0.000 0.200) 1.992 5.607 ( -2.244 0.000 -0.886) 2.412 5.624 ( -1.027 0.000 0.437) 1.116 5.664 ( -1.595 0.000 -0.704) 1.744 6.867 ( 0.222 0.000 -0.064) 0.231 6.876 ( 0.246 0.000 0.067) 0.255 6.924 ( 0.059 0.000 -0.457) 0.461 6.935 ( 0.154 0.000 -0.320) 0.356 7.097 ( 0.570 0.000 -0.027) 0.570 7.110 ( 1.019 0.000 -0.109) 1.024 7.116 ( 0.591 0.000 0.028) 0.592 7.117 ( 0.112 0.000 0.299) 0.319 8.166 ( -1.364 0.000 2.185) 2.576 8.179 ( -2.418 0.000 1.448) 2.819 8.348 ( -0.911 0.000 -3.906) 4.011 8.373 ( -1.559 0.000 -3.031) 3.408 8.584 ( -0.464 0.000 1.921) 1.976 8.622 ( -2.272 0.000 4.084) 4.673 8.786 ( 1.586 0.000 3.350) 3.706 8.797 ( -0.325 0.000 4.734) 4.745 9.634 ( -0.707 0.000 -2.046) 2.165 9.646 ( -1.623 0.000 -1.276) 2.064 9.689 ( 1.934 0.000 -0.745) 2.072 9.710 ( 1.213 0.000 0.210) 1.231 9.726 ( 0.407 0.000 -0.343) 0.533 9.735 ( 0.307 0.000 0.030) 0.308 9.813 ( -0.681 0.000 -4.400) 4.452 9.884 ( 0.174 0.000 -5.428) 5.430 10.435 ( 0.441 0.000 -0.361) 0.570 10.438 ( -0.276 0.000 0.470) 0.545 10.499 ( -0.184 0.000 1.135) 1.150 10.505 ( 0.708 0.000 0.283) 0.762 10.795 ( -2.583 0.000 3.151) 4.074 10.841 ( -1.931 0.000 3.500) 3.997 10.890 ( -2.070 0.000 3.468) 4.038 10.916 ( -2.327 0.000 3.380) 4.104 ======================= Grid point 34 (18/84) ======================= q-point: (-0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( -10.674 0.000 4.640) 11.639 0.267 ( -9.026 0.000 8.575) 12.450 0.517 ( -19.533 0.000 10.068) 21.975 0.602 ( -3.454 0.000 12.675) 13.138 0.674 ( -2.218 0.000 2.318) 3.208 0.679 ( -3.373 0.000 -1.793) 3.820 0.722 ( -6.837 0.000 2.080) 7.146 0.811 ( -1.114 0.000 5.929) 6.033 0.881 ( -2.417 0.000 2.197) 3.266 0.916 ( -3.110 0.000 2.460) 3.965 1.063 ( -1.218 0.000 4.879) 5.029 1.181 ( -0.092 0.000 2.087) 2.089 1.203 ( -7.948 0.000 1.683) 8.125 1.215 ( -0.120 0.000 -0.685) 0.695 1.251 ( -1.304 0.000 0.008) 1.304 1.392 ( 0.727 0.000 0.062) 0.730 1.677 ( -1.273 0.000 1.050) 1.650 1.737 ( -0.240 0.000 -0.023) 0.241 1.759 ( 2.737 0.000 0.327) 2.757 1.824 ( -0.463 0.000 -0.038) 0.465 1.827 ( 0.078 0.000 0.698) 0.702 1.898 ( 0.278 0.000 1.435) 1.462 1.938 ( 0.373 0.000 -0.417) 0.559 2.074 ( 1.146 0.000 0.569) 1.279 2.212 ( 3.938 0.000 0.300) 3.949 2.239 ( 1.652 0.000 -1.499) 2.231 2.376 ( 3.449 0.000 -0.696) 3.518 2.413 ( 2.448 0.000 -1.421) 2.831 3.121 ( 0.099 0.000 1.679) 1.682 3.141 ( 0.466 0.000 1.402) 1.477 3.308 ( 1.499 0.000 0.474) 1.572 3.319 ( 1.062 0.000 -0.552) 1.197 3.479 ( -0.577 0.000 -0.825) 1.006 3.501 ( -2.222 0.000 -1.437) 2.646 3.515 ( -0.060 0.000 0.628) 0.631 3.525 ( 0.890 0.000 0.707) 1.136 3.572 ( 0.816 0.000 0.036) 0.817 3.638 ( -0.305 0.000 -0.871) 0.922 3.691 ( 2.697 0.000 0.665) 2.778 3.693 ( -0.295 0.000 -0.555) 0.629 3.889 ( 0.103 0.000 -0.853) 0.860 3.891 ( 1.237 0.000 -0.192) 1.252 3.909 ( -0.899 0.000 -1.690) 1.914 3.910 ( 0.570 0.000 -0.519) 0.770 5.445 ( -0.355 0.000 0.803) 0.878 5.463 ( -0.012 0.000 1.141) 1.141 5.471 ( -0.375 0.000 0.637) 0.739 5.492 ( -0.576 0.000 1.530) 1.635 5.549 ( -0.649 0.000 0.690) 0.947 5.573 ( -1.134 0.000 0.395) 1.201 5.613 ( -0.528 0.000 0.504) 0.730 5.638 ( -0.787 0.000 -0.227) 0.819 6.868 ( 0.074 0.000 -0.205) 0.219 6.879 ( 0.087 0.000 -0.152) 0.175 6.921 ( 0.083 0.000 -0.427) 0.435 6.935 ( 0.143 0.000 -0.378) 0.405 7.105 ( 0.381 0.000 -0.053) 0.385 7.119 ( -0.082 0.000 0.071) 0.108 7.123 ( 0.523 0.000 -0.319) 0.613 7.128 ( 0.532 0.000 0.157) 0.555 8.153 ( -1.809 0.000 2.156) 2.814 8.199 ( 2.615 0.000 5.523) 6.111 8.310 ( -0.109 0.000 -2.919) 2.921 8.333 ( -0.293 0.000 -2.234) 2.253 8.594 ( -0.320 0.000 2.059) 2.084 8.616 ( -1.789 0.000 3.969) 4.353 8.817 ( -1.070 0.000 3.506) 3.665 8.832 ( 0.923 0.000 2.290) 2.469 9.601 ( -0.814 0.000 -1.425) 1.641 9.612 ( -0.961 0.000 -0.740) 1.213 9.715 ( 1.438 0.000 -1.061) 1.787 9.733 ( 0.837 0.000 0.294) 0.887 9.735 ( 0.856 0.000 -0.726) 1.123 9.746 ( 0.461 0.000 0.166) 0.490 9.764 ( -0.549 0.000 -4.261) 4.296 9.815 ( -2.804 0.000 -6.089) 6.704 10.433 ( -0.706 0.000 0.191) 0.732 10.441 ( 0.374 0.000 -0.226) 0.437 10.500 ( -0.484 0.000 0.684) 0.838 10.515 ( 0.269 0.000 -0.247) 0.365 10.781 ( -1.959 0.000 4.138) 4.578 10.850 ( -0.429 0.000 4.346) 4.367 10.880 ( -1.843 0.000 3.331) 3.807 10.902 ( -2.062 0.000 3.589) 4.139 ======================= Grid point 35 (19/84) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 1.059 -10.549 4.612) 11.562 0.405 ( 1.059 10.549 4.612) 11.562 0.434 ( 0.147 -9.225 7.920) 12.159 0.434 ( 0.147 9.225 7.920) 12.159 0.645 ( -1.403 -10.376 10.664) 14.944 0.645 ( -1.403 10.376 10.664) 14.944 0.774 ( -2.403 -1.850 4.829) 5.702 0.774 ( -2.403 1.850 4.829) 5.702 0.872 ( 0.485 -1.745 4.510) 4.860 0.872 ( 0.485 1.745 4.510) 4.860 1.145 ( -1.174 -0.885 2.321) 2.747 1.145 ( -1.174 0.885 2.321) 2.747 1.159 ( 0.077 -1.818 1.216) 2.189 1.159 ( 0.077 1.818 1.216) 2.189 1.351 ( 0.376 -2.718 1.098) 2.955 1.351 ( 0.376 2.718 1.098) 2.955 1.710 ( -0.646 -2.017 0.202) 2.128 1.710 ( -0.646 2.017 0.202) 2.128 1.805 ( -0.455 -0.826 -0.295) 0.989 1.805 ( -0.455 0.826 -0.295) 0.989 1.835 ( -0.175 -1.443 -0.170) 1.464 1.835 ( -0.175 1.443 -0.170) 1.464 2.026 ( -0.837 -3.995 0.034) 4.082 2.026 ( -0.837 3.995 0.034) 4.082 2.235 ( -0.443 -0.800 -1.672) 1.905 2.235 ( -0.443 0.800 -1.672) 1.905 2.411 ( -0.022 -1.112 -1.933) 2.230 2.411 ( -0.022 1.112 -1.933) 2.230 3.129 ( -1.353 -0.779 0.469) 1.631 3.129 ( -1.353 0.779 0.469) 1.631 3.310 ( -0.917 -0.667 -1.974) 2.276 3.310 ( -0.917 0.667 -1.974) 2.276 3.483 ( 1.187 -0.317 0.884) 1.513 3.483 ( 1.187 0.317 0.884) 1.513 3.532 ( -0.231 -0.556 0.928) 1.106 3.532 ( -0.231 0.556 0.928) 1.106 3.599 ( -0.099 -1.530 -0.556) 1.631 3.599 ( -0.099 1.530 -0.556) 1.631 3.692 ( -0.390 -0.732 -0.742) 1.113 3.692 ( -0.390 0.732 -0.742) 1.113 3.891 ( 0.299 -0.170 -0.577) 0.672 3.891 ( 0.299 0.170 -0.577) 0.672 3.911 ( 0.686 -0.309 -0.305) 0.812 3.911 ( 0.686 0.309 -0.305) 0.812 5.454 ( -0.120 -0.454 0.977) 1.083 5.454 ( -0.120 0.454 0.977) 1.083 5.483 ( -0.776 -0.431 1.131) 1.438 5.483 ( -0.776 0.431 1.131) 1.438 5.559 ( 0.084 -0.623 1.179) 1.336 5.559 ( 0.084 0.623 1.179) 1.336 5.622 ( 0.081 -0.765 0.290) 0.822 5.622 ( 0.081 0.765 0.290) 0.822 6.871 ( -0.053 -0.276 -0.413) 0.500 6.871 ( -0.053 0.276 -0.413) 0.500 6.929 ( 0.179 -0.400 -0.413) 0.602 6.929 ( 0.179 0.400 -0.413) 0.602 7.111 ( -0.130 -0.215 -0.122) 0.279 7.111 ( -0.130 0.215 -0.122) 0.279 7.131 ( -0.030 -0.241 -0.247) 0.346 7.131 ( -0.030 0.241 -0.247) 0.346 8.175 ( -0.935 -2.516 3.590) 4.483 8.175 ( -0.935 2.516 3.590) 4.483 8.324 ( 1.652 -0.862 -1.456) 2.365 8.324 ( 1.652 0.862 -1.456) 2.365 8.607 ( -1.284 -0.633 3.072) 3.389 8.607 ( -1.284 0.633 3.072) 3.389 8.822 ( -2.069 -0.594 1.335) 2.533 8.822 ( -2.069 0.594 1.335) 2.533 9.602 ( 1.018 -0.468 -0.262) 1.150 9.602 ( 1.018 0.468 -0.262) 1.150 9.722 ( -0.107 -0.692 -1.296) 1.473 9.722 ( -0.107 0.692 -1.296) 1.473 9.745 ( -0.160 -0.179 -0.457) 0.516 9.745 ( -0.160 0.179 -0.457) 0.516 9.778 ( 3.471 -0.308 -1.217) 3.691 9.778 ( 3.471 0.308 -1.217) 3.691 10.432 ( -0.209 -0.600 0.585) 0.864 10.432 ( -0.209 0.600 0.585) 0.864 10.503 ( -0.429 -0.491 -0.435) 0.784 10.503 ( -0.429 0.491 -0.435) 0.784 10.823 ( -1.217 -1.901 4.272) 4.831 10.823 ( -1.217 1.901 4.272) 4.831 10.890 ( -1.650 -0.415 3.588) 3.971 10.890 ( -1.650 0.415 3.588) 3.971 ======================= Grid point 37 (20/84) ======================= q-point: ( 0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 1.421 -2.259 8.317) 8.735 0.450 ( 1.421 2.259 8.317) 8.735 0.573 ( 3.492 -3.604 7.660) 9.157 0.573 ( 3.492 3.604 7.660) 9.157 0.746 ( 3.595 -0.908 4.823) 6.083 0.746 ( 3.595 0.908 4.823) 6.083 0.851 ( 3.788 -5.927 9.236) 11.609 0.851 ( 3.788 5.927 9.236) 11.609 0.927 ( 3.495 -6.194 2.310) 7.477 0.927 ( 3.495 6.194 2.310) 7.477 1.081 ( -2.586 -1.481 2.247) 3.733 1.081 ( -2.586 1.481 2.247) 3.733 1.249 ( 3.928 -3.224 1.980) 5.454 1.249 ( 3.928 3.224 1.980) 5.454 1.367 ( 0.490 -1.121 0.856) 1.493 1.367 ( 0.490 1.121 0.856) 1.493 1.701 ( -0.153 -1.900 0.226) 1.920 1.701 ( -0.153 1.900 0.226) 1.920 1.766 ( -2.549 -0.635 -1.047) 2.828 1.766 ( -2.549 0.635 -1.047) 2.828 1.838 ( -0.303 -0.947 0.891) 1.335 1.838 ( -0.303 0.947 0.891) 1.335 1.999 ( -1.880 -3.939 -0.240) 4.371 1.999 ( -1.880 3.939 -0.240) 4.371 2.185 ( -2.945 -1.593 -2.286) 4.054 2.185 ( -2.945 1.593 -2.286) 4.054 2.364 ( -2.925 -1.516 -3.099) 4.523 2.364 ( -2.925 1.516 -3.099) 4.523 3.098 ( -2.165 -0.910 0.295) 2.367 3.098 ( -2.165 0.910 0.295) 2.367 3.269 ( -1.517 -1.181 -1.659) 2.540 3.269 ( -1.517 1.181 -1.659) 2.540 3.510 ( 0.759 -0.461 -0.274) 0.929 3.510 ( 0.759 0.461 -0.274) 0.929 3.533 ( 0.242 -0.826 0.160) 0.875 3.533 ( 0.242 0.826 0.160) 0.875 3.584 ( -1.055 -1.296 0.268) 1.693 3.584 ( -1.055 1.296 0.268) 1.693 3.685 ( -0.211 -1.414 -0.305) 1.462 3.685 ( -0.211 1.414 -0.305) 1.462 3.878 ( -1.076 -0.450 -0.973) 1.519 3.878 ( -1.076 0.450 -0.973) 1.519 3.924 ( 0.537 -0.637 -0.542) 0.994 3.924 ( 0.537 0.637 -0.542) 0.994 5.457 ( -0.570 -0.207 1.223) 1.365 5.457 ( -0.570 0.207 1.223) 1.365 5.474 ( -1.181 -0.211 0.900) 1.500 5.474 ( -1.181 0.211 0.900) 1.500 5.580 ( 1.054 -0.862 1.446) 1.986 5.580 ( 1.054 0.862 1.446) 1.986 5.637 ( 1.355 -0.903 0.459) 1.692 5.637 ( 1.355 0.903 0.459) 1.692 6.866 ( -0.117 -0.186 -0.511) 0.557 6.866 ( -0.117 0.186 -0.511) 0.557 6.929 ( 0.192 -0.286 -0.468) 0.581 6.929 ( 0.192 0.286 -0.468) 0.581 7.106 ( -0.319 -0.152 -0.176) 0.394 7.106 ( -0.319 0.152 -0.176) 0.394 7.124 ( -0.501 -0.331 -0.228) 0.642 7.124 ( -0.501 0.331 -0.228) 0.642 8.186 ( -0.454 -1.579 2.932) 3.360 8.186 ( -0.454 1.579 2.932) 3.360 8.358 ( 3.024 -0.896 -1.180) 3.367 8.358 ( 3.024 0.896 -1.180) 3.367 8.608 ( -1.251 -0.834 3.393) 3.711 8.608 ( -1.251 0.834 3.393) 3.711 8.780 ( -3.288 -0.149 0.987) 3.436 8.780 ( -3.288 0.149 0.987) 3.436 9.631 ( 2.029 -0.686 -0.260) 2.158 9.631 ( 2.029 0.686 -0.260) 2.158 9.708 ( -0.542 -0.954 -0.985) 1.474 9.708 ( -0.542 0.954 -0.985) 1.474 9.735 ( -0.388 -0.042 -0.418) 0.572 9.735 ( -0.388 0.042 -0.418) 0.572 9.841 ( 4.080 -1.151 -2.495) 4.919 9.841 ( 4.080 1.151 -2.495) 4.919 10.435 ( -0.019 -0.376 0.579) 0.690 10.435 ( -0.019 0.376 0.579) 0.690 10.489 ( -0.595 -0.254 -0.676) 0.936 10.489 ( -0.595 0.254 -0.676) 0.936 10.837 ( -1.101 -1.388 4.963) 5.269 10.837 ( -1.101 1.388 4.963) 5.269 10.893 ( -0.970 -0.609 3.502) 3.684 10.893 ( -0.970 0.609 3.502) 3.684 ======================= Grid point 39 (21/84) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 3.885 -4.529 5.664) 8.227 0.564 ( 3.885 4.529 5.664) 8.227 0.682 ( 3.402 -1.733 5.543) 6.731 0.682 ( 3.402 1.733 5.543) 6.731 0.844 ( 2.881 -2.845 2.785) 4.914 0.844 ( 2.881 2.845 2.785) 4.914 0.906 ( 0.474 -1.825 3.501) 3.976 0.906 ( 0.474 1.825 3.501) 3.976 0.998 ( 0.709 -4.027 1.753) 4.449 0.998 ( 0.709 4.027 1.753) 4.449 1.168 ( 4.990 -3.111 4.918) 7.666 1.168 ( 4.990 3.111 4.918) 7.666 1.298 ( 1.678 -1.502 -0.627) 2.338 1.298 ( 1.678 1.502 -0.627) 2.338 1.381 ( 0.423 -1.062 0.199) 1.161 1.381 ( 0.423 1.062 0.199) 1.161 1.690 ( -0.785 -2.210 -0.446) 2.388 1.690 ( -0.785 2.210 -0.446) 2.388 1.748 ( 0.448 -0.911 2.120) 2.351 1.748 ( 0.448 0.911 2.120) 2.351 1.837 ( -0.451 -1.485 1.551) 2.194 1.837 ( -0.451 1.485 1.551) 2.194 1.962 ( -1.784 -2.954 -0.154) 3.454 1.962 ( -1.784 2.954 -0.154) 3.454 2.111 ( -2.991 -1.120 -1.792) 3.662 2.111 ( -2.991 1.120 -1.792) 3.662 2.271 ( -3.863 -1.422 -3.584) 5.458 2.271 ( -3.863 1.422 -3.584) 5.458 3.059 ( -2.453 -0.839 0.833) 2.723 3.059 ( -2.453 0.839 0.833) 2.723 3.244 ( -0.332 -1.155 -0.107) 1.207 3.244 ( -0.332 1.155 -0.107) 1.207 3.518 ( 0.784 -0.523 -0.236) 0.972 3.518 ( 0.784 0.523 -0.236) 0.972 3.541 ( 0.560 -1.098 -0.420) 1.302 3.541 ( 0.560 1.098 -0.420) 1.302 3.570 ( -0.892 -0.757 0.551) 1.293 3.570 ( -0.892 0.757 0.551) 1.293 3.669 ( -1.068 -1.455 -0.552) 1.888 3.669 ( -1.068 1.455 -0.552) 1.888 3.841 ( -1.821 -0.993 -1.194) 2.393 3.841 ( -1.821 0.993 -1.194) 2.393 3.911 ( -1.259 -1.107 -0.999) 1.952 3.911 ( -1.259 1.107 -0.999) 1.952 5.449 ( -1.300 -0.142 1.060) 1.684 5.449 ( -1.300 0.142 1.060) 1.684 5.458 ( -1.197 -0.191 1.181) 1.692 5.458 ( -1.197 0.191 1.181) 1.692 5.612 ( 1.182 -0.697 1.066) 1.737 5.612 ( 1.182 0.697 1.066) 1.737 5.674 ( 2.011 -0.548 0.518) 2.148 5.674 ( 2.011 0.548 0.518) 2.148 6.860 ( -0.050 -0.223 -0.479) 0.531 6.860 ( -0.050 0.223 -0.479) 0.531 6.929 ( 0.213 -0.147 -0.447) 0.517 6.929 ( 0.213 0.147 -0.447) 0.517 7.097 ( -0.470 -0.124 -0.225) 0.535 7.097 ( -0.470 0.124 -0.225) 0.535 7.112 ( -0.499 -0.272 -0.150) 0.588 7.112 ( -0.499 0.272 -0.150) 0.588 8.203 ( 0.096 -1.024 1.969) 2.221 8.203 ( 0.096 1.024 1.969) 2.221 8.406 ( 3.222 -0.799 -1.782) 3.768 8.406 ( 3.222 0.799 -1.782) 3.768 8.618 ( -0.775 -1.208 3.876) 4.133 8.618 ( -0.775 1.208 3.876) 4.133 8.726 ( -3.527 -0.703 1.637) 3.952 8.726 ( -3.527 0.703 1.637) 3.952 9.655 ( 0.746 -0.473 -0.644) 1.094 9.655 ( 0.746 0.473 -0.644) 1.094 9.691 ( -0.549 -0.676 -0.589) 1.051 9.691 ( -0.549 0.676 -0.589) 1.051 9.735 ( 0.720 -0.423 -0.207) 0.860 9.735 ( 0.720 0.423 -0.207) 0.860 9.877 ( 2.483 -1.082 -3.483) 4.412 9.877 ( 2.483 1.082 -3.483) 4.412 10.441 ( 0.157 -0.072 0.579) 0.604 10.441 ( 0.157 0.072 0.579) 0.604 10.474 ( -0.443 -0.073 -0.478) 0.656 10.474 ( -0.443 0.073 -0.478) 0.656 10.856 ( -1.027 -0.896 4.693) 4.887 10.856 ( -1.027 0.896 4.693) 4.887 10.906 ( -0.682 -0.798 3.507) 3.661 10.906 ( -0.682 0.798 3.507) 3.661 ======================= Grid point 41 (22/84) ======================= q-point: ( 0.38 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 2.397 -5.295 -0.213) 5.817 0.644 ( 2.397 5.295 -0.213) 5.817 0.773 ( 0.864 -0.934 3.989) 4.187 0.773 ( 0.864 0.934 3.989) 4.187 0.857 ( -0.069 -2.756 -1.116) 2.974 0.857 ( -0.069 2.756 -1.116) 2.974 0.973 ( 1.953 -2.110 2.725) 3.961 0.973 ( 1.953 2.110 2.725) 3.961 1.039 ( 1.361 -3.647 3.413) 5.177 1.039 ( 1.361 3.647 3.413) 5.177 1.185 ( -1.400 -4.614 0.030) 4.822 1.185 ( -1.400 4.614 0.030) 4.822 1.338 ( -1.027 -3.225 0.653) 3.447 1.338 ( -1.027 3.225 0.653) 3.447 1.392 ( 2.773 -1.237 -0.226) 3.045 1.392 ( 2.773 1.237 -0.226) 3.045 1.701 ( 0.865 -0.872 1.458) 1.906 1.701 ( 0.865 0.872 1.458) 1.906 1.767 ( -0.514 -1.175 2.233) 2.575 1.767 ( -0.514 1.175 2.233) 2.575 1.849 ( -0.034 -1.990 1.326) 2.392 1.849 ( -0.034 1.990 1.326) 2.392 1.939 ( -0.768 -1.721 0.052) 1.886 1.939 ( -0.768 1.721 0.052) 1.886 2.060 ( -1.434 -0.797 -0.831) 1.839 2.060 ( -1.434 0.797 -0.831) 1.839 2.192 ( -1.604 -0.798 -2.885) 3.396 2.192 ( -1.604 0.798 -2.885) 3.396 3.028 ( -1.908 -0.540 1.791) 2.672 3.028 ( -1.908 0.540 1.791) 2.672 3.250 ( 0.251 -0.715 0.930) 1.199 3.250 ( 0.251 0.715 0.930) 1.199 3.517 ( -1.017 -0.643 0.260) 1.231 3.517 ( -1.017 0.643 0.260) 1.231 3.550 ( -0.222 -0.676 0.600) 0.931 3.550 ( -0.222 0.676 0.600) 0.931 3.575 ( 2.181 -0.488 -0.479) 2.286 3.575 ( 2.181 0.488 -0.479) 2.286 3.642 ( -1.278 -0.855 -1.073) 1.875 3.642 ( -1.278 0.855 -1.073) 1.875 3.807 ( -0.646 -0.903 -0.784) 1.359 3.807 ( -0.646 0.903 -0.784) 1.359 3.873 ( -1.610 -1.003 -0.935) 2.115 3.873 ( -1.610 1.003 -0.935) 2.115 5.433 ( -1.094 -0.206 0.931) 1.451 5.433 ( -1.094 0.206 0.931) 1.451 5.450 ( -0.957 -0.055 1.726) 1.974 5.450 ( -0.957 0.055 1.726) 1.974 5.634 ( 0.541 -0.620 0.498) 0.961 5.634 ( 0.541 0.620 0.498) 0.961 5.707 ( 1.112 -0.388 0.084) 1.181 5.707 ( 1.112 0.388 0.084) 1.181 6.857 ( 0.118 -0.291 -0.305) 0.437 6.857 ( 0.118 0.291 -0.305) 0.437 6.929 ( 0.216 -0.162 -0.384) 0.469 6.929 ( 0.216 0.162 -0.384) 0.469 7.087 ( -0.327 -0.040 -0.232) 0.403 7.087 ( -0.327 0.040 -0.232) 0.403 7.105 ( -0.220 -0.021 -0.035) 0.224 7.105 ( -0.220 0.021 -0.035) 0.224 8.215 ( -0.116 -0.891 1.062) 1.391 8.215 ( -0.116 0.891 1.062) 1.391 8.438 ( 2.156 -0.723 -2.783) 3.593 8.438 ( 2.156 0.723 -2.783) 3.593 8.635 ( -0.716 -0.787 3.007) 3.189 8.635 ( -0.716 0.787 3.007) 3.189 8.687 ( -2.673 -0.729 4.025) 4.886 8.687 ( -2.673 0.729 4.025) 4.886 9.654 ( -0.157 -0.101 -0.352) 0.398 9.654 ( -0.157 0.101 -0.352) 0.398 9.680 ( -0.285 -0.296 -0.259) 0.486 9.680 ( -0.285 0.296 -0.259) 0.486 9.750 ( 1.066 -0.358 -0.867) 1.420 9.750 ( 1.066 0.358 -0.867) 1.420 9.885 ( 1.743 -0.948 -3.901) 4.377 9.885 ( 1.743 0.948 -3.901) 4.377 10.447 ( 0.106 -0.263 0.122) 0.308 10.447 ( 0.106 0.263 0.122) 0.308 10.468 ( -0.101 -0.238 0.327) 0.416 10.468 ( -0.101 0.238 0.327) 0.416 10.866 ( -1.490 -0.738 3.674) 4.033 10.866 ( -1.490 0.738 3.674) 4.033 10.919 ( -0.962 -0.947 3.656) 3.897 10.919 ( -0.962 0.947 3.656) 3.897 ======================= Grid point 43 (23/84) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -1.510 -2.058 -5.090) 5.694 0.636 ( -1.510 2.058 -5.090) 5.694 0.746 ( -2.905 -4.092 0.256) 5.025 0.746 ( -2.905 4.092 0.256) 5.025 0.867 ( -1.714 -1.860 2.529) 3.577 0.867 ( -1.714 1.860 2.529) 3.577 0.968 ( -2.939 -3.131 0.036) 4.294 0.968 ( -2.939 3.131 0.036) 4.294 1.057 ( -0.931 -3.095 1.345) 3.501 1.057 ( -0.931 3.095 1.345) 3.501 1.229 ( 3.336 -2.421 3.094) 5.154 1.229 ( 3.336 2.421 3.094) 5.154 1.313 ( -0.313 -3.326 -0.443) 3.369 1.313 ( -0.313 3.326 -0.443) 3.369 1.437 ( 0.548 -2.821 1.627) 3.302 1.437 ( 0.548 2.821 1.627) 3.302 1.719 ( -0.162 -1.012 1.778) 2.053 1.719 ( -0.162 1.012 1.778) 2.053 1.756 ( -2.472 -0.697 1.113) 2.799 1.756 ( -2.472 0.697 1.113) 2.799 1.840 ( -1.454 -1.922 -0.152) 2.415 1.840 ( -1.454 1.922 -0.152) 2.415 1.928 ( -0.370 -1.525 0.152) 1.577 1.928 ( -0.370 1.525 0.152) 1.577 2.050 ( 0.795 -0.618 -0.316) 1.056 2.050 ( 0.795 0.618 -0.316) 1.056 2.180 ( 2.173 -0.960 -1.440) 2.778 2.180 ( 2.173 0.960 -1.440) 2.778 3.026 ( -0.159 -0.159 2.684) 2.693 3.026 ( -0.159 0.159 2.684) 2.693 3.253 ( -0.608 -0.278 0.663) 0.941 3.253 ( -0.608 0.278 0.663) 0.941 3.507 ( -0.226 -0.635 0.195) 0.702 3.507 ( -0.226 0.635 0.195) 0.702 3.541 ( -0.906 -0.303 0.086) 0.959 3.541 ( -0.906 0.303 0.086) 0.959 3.606 ( -0.418 -0.292 -0.393) 0.643 3.606 ( -0.418 0.292 -0.393) 0.643 3.625 ( 1.899 -0.371 -0.329) 1.963 3.625 ( 1.899 0.371 -0.329) 1.963 3.806 ( 0.706 -0.396 -0.217) 0.838 3.806 ( 0.706 0.396 -0.217) 0.838 3.862 ( 1.106 -0.318 0.015) 1.151 3.862 ( 1.106 0.318 0.015) 1.151 5.428 ( -0.334 -0.329 1.123) 1.217 5.428 ( -0.334 0.329 1.123) 1.217 5.451 ( -0.496 -0.145 1.924) 1.992 5.451 ( -0.496 0.145 1.924) 1.992 5.637 ( -0.531 -0.733 0.047) 0.906 5.637 ( -0.531 0.733 0.047) 0.906 5.711 ( -0.452 -0.761 -0.553) 1.044 5.711 ( -0.452 0.761 -0.553) 1.044 6.860 ( 0.281 -0.288 -0.082) 0.410 6.860 ( 0.281 0.288 -0.082) 0.410 6.930 ( 0.176 -0.233 -0.339) 0.447 6.930 ( 0.176 0.233 -0.339) 0.447 7.084 ( 0.166 -0.049 -0.181) 0.251 7.084 ( 0.166 0.049 -0.181) 0.251 7.104 ( 0.083 -0.176 0.084) 0.212 7.104 ( 0.083 0.176 0.084) 0.212 8.214 ( -0.748 -0.863 0.631) 1.305 8.214 ( -0.748 0.863 0.631) 1.305 8.439 ( 0.603 -0.903 -3.533) 3.696 8.439 ( 0.603 0.903 -3.533) 3.696 8.626 ( -1.947 -1.271 2.168) 3.179 8.626 ( -1.947 1.271 2.168) 3.179 8.702 ( -0.403 -1.126 5.754) 5.877 8.702 ( -0.403 1.126 5.754) 5.877 9.651 ( 0.226 -0.100 -0.402) 0.472 9.651 ( 0.226 0.100 -0.402) 0.472 9.677 ( 0.098 -0.190 -0.060) 0.223 9.677 ( 0.098 0.190 -0.060) 0.223 9.753 ( 0.101 -0.109 -1.308) 1.316 9.753 ( 0.101 0.109 -1.308) 1.316 9.884 ( 1.539 -1.180 -3.996) 4.442 9.884 ( 1.539 1.180 -3.996) 4.442 10.444 ( -0.287 -0.416 -0.276) 0.576 10.444 ( -0.287 0.416 -0.276) 0.576 10.476 ( 0.310 -0.223 0.948) 1.023 10.476 ( 0.310 0.223 0.948) 1.023 10.858 ( -2.128 -0.885 2.861) 3.674 10.858 ( -2.128 0.885 2.861) 3.674 10.925 ( -1.547 -0.975 3.604) 4.041 10.925 ( -1.547 0.975 3.604) 4.041 ======================= Grid point 45 (24/84) ======================= q-point: (-0.38 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -4.963 -1.537 -3.796) 6.434 0.532 ( -4.963 1.537 -3.796) 6.434 0.695 ( -4.235 -4.279 1.027) 6.107 0.695 ( -4.235 4.279 1.027) 6.107 0.815 ( -4.890 -0.745 2.521) 5.552 0.815 ( -4.890 0.745 2.521) 5.552 0.920 ( -2.311 -1.913 1.158) 3.215 0.920 ( -2.311 1.913 1.158) 3.215 1.032 ( -3.275 -1.910 1.654) 4.137 1.032 ( -3.275 1.910 1.654) 4.137 1.261 ( -2.200 -3.949 -1.169) 4.669 1.261 ( -2.200 3.949 -1.169) 4.669 1.308 ( -1.548 -1.307 0.245) 2.041 1.308 ( -1.548 1.307 0.245) 2.041 1.419 ( -3.520 -0.752 1.563) 3.924 1.419 ( -3.520 0.752 1.563) 3.924 1.716 ( -1.035 -1.994 0.584) 2.321 1.716 ( -1.035 1.994 0.584) 2.321 1.737 ( 0.078 -0.888 2.101) 2.282 1.737 ( 0.078 0.888 2.101) 2.282 1.810 ( -0.782 -0.250 0.027) 0.822 1.810 ( -0.782 0.250 0.027) 0.822 1.943 ( 1.546 -2.258 1.109) 2.953 1.943 ( 1.546 2.258 1.109) 2.953 2.081 ( 2.909 -1.269 -0.359) 3.194 2.081 ( 2.909 1.269 -0.359) 3.194 2.241 ( 4.883 -1.773 -0.312) 5.204 2.241 ( 4.883 1.773 -0.312) 5.204 3.058 ( 1.146 -0.380 2.798) 3.048 3.058 ( 1.146 0.380 2.798) 3.048 3.250 ( 0.208 -0.526 0.597) 0.822 3.250 ( 0.208 0.526 0.597) 0.822 3.501 ( -0.158 -0.287 -0.949) 1.004 3.501 ( -0.158 0.287 -0.949) 1.004 3.528 ( -0.191 -0.380 -0.241) 0.489 3.528 ( -0.191 0.380 -0.241) 0.489 3.599 ( -0.518 -0.783 0.817) 1.244 3.599 ( -0.518 0.783 0.817) 1.244 3.658 ( 1.603 -0.949 -0.009) 1.863 3.658 ( 1.603 0.949 -0.009) 1.863 3.832 ( 1.971 -1.041 0.307) 2.250 3.832 ( 1.971 1.041 0.307) 2.250 3.896 ( 1.899 -0.990 -0.034) 2.142 3.896 ( 1.899 0.990 -0.034) 2.142 5.436 ( 0.148 -0.182 1.249) 1.271 5.436 ( 0.148 0.182 1.249) 1.271 5.461 ( 0.010 -0.018 1.781) 1.781 5.461 ( 0.010 0.018 1.781) 1.781 5.616 ( -1.579 -0.864 -0.188) 1.809 5.616 ( -1.579 0.864 -0.188) 1.809 5.686 ( -1.575 -1.075 -0.848) 2.087 5.686 ( -1.575 1.075 -0.848) 2.087 6.865 ( 0.322 -0.265 0.039) 0.419 6.865 ( 0.322 0.265 0.039) 0.419 6.930 ( 0.130 -0.280 -0.339) 0.459 6.930 ( 0.130 0.280 -0.339) 0.459 7.090 ( 0.640 -0.182 -0.106) 0.674 7.090 ( 0.640 0.182 -0.106) 0.674 7.109 ( 0.318 -0.183 0.165) 0.402 7.109 ( 0.318 0.183 0.165) 0.402 8.197 ( -1.617 -0.800 0.752) 1.955 8.197 ( -1.617 0.800 0.752) 1.955 8.408 ( -0.755 -0.946 -3.787) 3.976 8.408 ( -0.755 0.946 -3.787) 3.976 8.610 ( -1.835 -1.541 2.703) 3.612 8.610 ( -1.835 1.541 2.703) 3.612 8.746 ( 0.483 -0.973 5.151) 5.264 8.746 ( 0.483 0.973 5.151) 5.264 9.654 ( 0.484 -0.376 -1.071) 1.234 9.654 ( 0.484 0.376 -1.071) 1.234 9.683 ( 0.672 -0.439 -0.018) 0.803 9.683 ( 0.672 0.439 -0.018) 0.803 9.737 ( -0.636 -0.395 -0.974) 1.228 9.737 ( -0.636 0.395 -0.974) 1.228 9.876 ( 0.893 -1.712 -4.192) 4.616 9.876 ( 0.893 1.712 -4.192) 4.616 10.437 ( -0.194 -0.290 -0.083) 0.358 10.437 ( -0.194 0.290 -0.083) 0.358 10.490 ( 0.356 -0.083 0.915) 0.985 10.490 ( 0.356 0.083 0.915) 0.985 10.837 ( -2.475 -1.073 2.713) 3.826 10.837 ( -2.475 1.073 2.713) 3.826 10.919 ( -2.065 -0.900 3.451) 4.122 10.919 ( -2.065 0.900 3.451) 4.122 ======================= Grid point 47 (25/84) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -5.620 -2.021 2.249) 6.382 0.427 ( -5.620 2.021 2.249) 6.382 0.600 ( -6.972 -2.921 2.213) 7.876 0.600 ( -6.972 2.921 2.213) 7.876 0.756 ( -4.320 -1.657 4.644) 6.556 0.756 ( -4.320 1.657 4.644) 6.556 0.885 ( -4.786 -2.281 0.762) 5.356 0.885 ( -4.786 2.281 0.762) 5.356 0.962 ( -5.569 -1.311 1.604) 5.942 0.962 ( -5.569 1.311 1.604) 5.942 1.124 ( -8.331 -7.838 1.127) 11.494 1.124 ( -8.331 7.838 1.127) 11.494 1.272 ( -1.773 -0.531 -1.246) 2.231 1.272 ( -1.773 0.531 -1.246) 2.231 1.371 ( -2.222 -1.171 -0.338) 2.534 1.371 ( -2.222 1.171 -0.338) 2.534 1.704 ( -0.704 -1.553 0.813) 1.889 1.704 ( -0.704 1.553 0.813) 1.889 1.770 ( 1.325 -2.210 1.935) 3.222 1.770 ( 1.325 2.210 1.935) 3.222 1.824 ( 1.167 -0.803 0.724) 1.591 1.824 ( 1.167 0.803 0.724) 1.591 1.990 ( 2.057 -3.133 1.403) 4.002 1.990 ( 2.057 3.133 1.403) 4.002 2.149 ( 4.515 -2.015 -0.004) 4.944 2.149 ( 4.515 2.015 -0.004) 4.944 2.332 ( 4.883 -1.794 -0.525) 5.229 2.332 ( 4.883 1.794 -0.525) 5.229 3.101 ( 1.203 -0.541 2.360) 2.704 3.101 ( 1.203 0.541 2.360) 2.704 3.277 ( 1.942 -0.739 0.830) 2.238 3.277 ( 1.942 0.739 0.830) 2.238 3.496 ( 0.415 -0.751 -0.887) 1.234 3.496 ( 0.415 0.751 -0.887) 1.234 3.523 ( -0.302 -0.670 -0.485) 0.880 3.523 ( -0.302 0.670 -0.485) 0.880 3.596 ( -0.413 -1.573 0.912) 1.865 3.596 ( -0.413 1.573 0.912) 1.865 3.682 ( 0.994 -1.109 -0.092) 1.492 3.682 ( 0.994 1.109 -0.092) 1.492 3.870 ( 1.753 -0.732 0.070) 1.901 3.870 ( 1.753 0.732 0.070) 1.901 3.915 ( 0.546 -0.826 -0.876) 1.322 3.915 ( 0.546 0.826 -0.876) 1.322 5.447 ( -0.059 -0.177 1.108) 1.123 5.447 ( -0.059 0.177 1.108) 1.123 5.476 ( 0.169 -0.351 1.390) 1.444 5.476 ( 0.169 0.351 1.390) 1.444 5.582 ( -1.866 -0.930 0.025) 2.085 5.582 ( -1.866 0.930 0.025) 2.085 5.650 ( -1.551 -1.044 -0.491) 1.933 5.650 ( -1.551 1.044 -0.491) 1.933 6.871 ( 0.235 -0.280 -0.015) 0.366 6.871 ( 0.235 0.280 -0.015) 0.366 6.930 ( 0.110 -0.357 -0.371) 0.526 6.930 ( 0.110 0.357 -0.371) 0.526 7.103 ( 0.679 -0.399 -0.043) 0.789 7.103 ( 0.679 0.399 -0.043) 0.789 7.117 ( 0.488 -0.040 0.134) 0.507 7.117 ( 0.488 0.040 0.134) 0.507 8.172 ( -1.959 -0.413 1.692) 2.621 8.172 ( -1.959 0.413 1.692) 2.621 8.360 ( -1.195 -0.792 -3.459) 3.745 8.360 ( -1.195 0.792 -3.459) 3.745 8.603 ( -1.303 -1.162 2.952) 3.430 8.603 ( -1.303 1.162 2.952) 3.430 8.793 ( 0.593 -0.365 4.103) 4.161 8.793 ( 0.593 0.365 4.103) 4.161 9.639 ( -0.976 -0.386 -1.753) 2.043 9.639 ( -0.976 0.386 -1.753) 2.043 9.701 ( 1.338 -0.640 -0.314) 1.516 9.701 ( 1.338 0.640 -0.314) 1.516 9.729 ( 0.425 -0.256 -0.074) 0.501 9.729 ( 0.425 0.256 -0.074) 0.501 9.845 ( -0.665 -2.157 -4.681) 5.197 9.845 ( -0.665 2.157 -4.681) 5.197 10.436 ( -0.054 -0.108 0.147) 0.190 10.436 ( -0.054 0.108 0.147) 0.190 10.502 ( 0.306 -0.206 0.663) 0.758 10.502 ( 0.306 0.206 0.663) 0.758 10.816 ( -2.137 -1.361 3.239) 4.112 10.816 ( -2.137 1.361 3.239) 4.112 10.906 ( -2.209 -0.751 3.456) 4.170 10.906 ( -2.209 0.751 3.456) 4.170 ======================= Grid point 49 (26/84) ======================= q-point: (-0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -3.803 -3.744 4.853) 7.214 0.365 ( -3.803 3.744 4.853) 7.214 0.494 ( -6.625 -2.714 3.024) 7.772 0.494 ( -6.625 2.714 3.024) 7.772 0.688 ( -9.786 -8.308 6.226) 14.267 0.688 ( -9.786 8.308 6.226) 14.267 0.783 ( -3.048 -0.841 5.677) 6.498 0.783 ( -3.048 0.841 5.677) 6.498 0.877 ( -4.630 -3.006 2.134) 5.919 0.877 ( -4.630 3.006 2.134) 5.919 1.087 ( 1.075 -4.436 2.216) 5.074 1.087 ( 1.075 4.436 2.216) 5.074 1.223 ( -3.440 -0.710 0.492) 3.546 1.223 ( -3.440 0.710 0.492) 3.546 1.342 ( -0.503 -3.698 0.326) 3.746 1.342 ( -0.503 3.698 0.326) 3.746 1.709 ( 0.147 -1.616 0.983) 1.897 1.709 ( 0.147 1.616 0.983) 1.897 1.800 ( 0.826 -2.040 0.260) 2.217 1.800 ( 0.826 2.040 0.260) 2.217 1.840 ( 0.083 -1.390 0.149) 1.401 1.840 ( 0.083 1.390 0.149) 1.401 2.025 ( 0.744 -3.524 0.668) 3.663 2.025 ( 0.744 3.524 0.668) 3.663 2.221 ( 2.880 -0.851 -0.486) 3.042 2.221 ( 2.880 0.851 -0.486) 3.042 2.397 ( 2.815 -1.125 -1.177) 3.252 2.397 ( 2.815 1.125 -1.177) 3.252 3.131 ( 0.280 -0.626 1.522) 1.669 3.131 ( 0.280 0.626 1.522) 1.669 3.315 ( 1.400 -0.323 -0.290) 1.466 3.315 ( 1.400 0.323 -0.290) 1.466 3.484 ( -1.189 -0.592 -0.554) 1.439 3.484 ( -1.189 0.592 -0.554) 1.439 3.521 ( 0.480 -0.271 0.576) 0.797 3.521 ( 0.480 0.271 0.576) 0.797 3.600 ( 0.171 -1.886 -0.025) 1.894 3.600 ( 0.171 1.886 -0.025) 1.894 3.695 ( 0.656 -0.603 -0.318) 0.946 3.695 ( 0.656 0.603 -0.318) 0.946 3.889 ( 0.480 -0.081 -0.573) 0.752 3.889 ( 0.480 0.081 -0.573) 0.752 3.909 ( 0.018 -0.085 -0.846) 0.850 3.909 ( 0.018 0.085 -0.846) 0.850 5.451 ( -0.287 -0.442 0.814) 0.969 5.451 ( -0.287 0.442 0.814) 0.969 5.485 ( -0.318 -0.564 1.205) 1.368 5.485 ( -0.318 0.564 1.205) 1.368 5.559 ( -0.907 -0.737 0.700) 1.363 5.559 ( -0.907 0.737 0.700) 1.363 5.627 ( -0.776 -0.762 0.057) 1.089 5.627 ( -0.776 0.762 0.057) 1.089 6.873 ( 0.100 -0.314 -0.204) 0.388 6.873 ( 0.100 0.314 -0.204) 0.388 6.929 ( 0.118 -0.428 -0.388) 0.590 6.929 ( 0.118 0.428 -0.388) 0.590 7.111 ( 0.242 -0.400 -0.048) 0.470 7.111 ( 0.242 0.400 -0.048) 0.470 7.127 ( 0.505 -0.123 -0.063) 0.524 7.127 ( 0.505 0.123 -0.063) 0.524 8.163 ( -1.081 -1.090 3.432) 3.759 8.163 ( -1.081 1.090 3.432) 3.759 8.323 ( -0.040 -0.782 -2.477) 2.598 8.323 ( -0.040 0.782 -2.477) 2.598 8.605 ( -1.077 -0.754 3.017) 3.291 8.605 ( -1.077 0.754 3.017) 3.291 8.825 ( -0.107 -0.473 2.765) 2.807 8.825 ( -0.107 0.473 2.765) 2.807 9.606 ( -0.881 -0.356 -1.153) 1.494 9.606 ( -0.881 0.356 -1.153) 1.494 9.722 ( 1.240 -0.489 -0.775) 1.542 9.722 ( 1.240 0.489 -0.775) 1.542 9.742 ( 0.718 -0.247 -0.020) 0.759 9.742 ( 0.718 0.247 -0.020) 0.759 9.784 ( -1.746 -1.370 -3.923) 4.508 9.784 ( -1.746 1.370 -3.923) 4.508 10.435 ( -0.324 -0.315 0.314) 0.550 10.435 ( -0.324 0.315 0.314) 0.550 10.508 ( -0.001 -0.467 0.128) 0.485 10.508 ( -0.001 0.467 0.128) 0.485 10.813 ( -1.263 -1.824 3.871) 4.461 10.813 ( -1.263 1.824 3.871) 4.461 10.895 ( -1.941 -0.543 3.602) 4.128 10.895 ( -1.941 0.543 3.602) 4.128 ======================= Grid point 51 (27/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.969 0.000 10.839) 10.883 0.512 ( 5.240 0.000 14.147) 15.087 0.582 ( 5.152 0.000 0.609) 5.188 0.703 ( -5.080 0.000 6.799) 8.487 0.766 ( 1.978 0.000 4.682) 5.083 0.841 ( -2.594 0.000 4.101) 4.853 0.855 ( -1.875 0.000 7.941) 8.160 0.887 ( -3.893 0.000 8.596) 9.436 1.006 ( 3.423 0.000 4.648) 5.772 1.087 ( -4.564 0.000 10.187) 11.162 1.093 ( -3.022 0.000 6.316) 7.002 1.204 ( -0.434 0.000 3.191) 3.220 1.205 ( -1.784 0.000 2.029) 2.702 1.263 ( 1.534 0.000 1.569) 2.195 1.344 ( 0.300 0.000 0.172) 0.346 1.427 ( -1.049 0.000 5.058) 5.166 1.693 ( -1.187 0.000 1.536) 1.941 1.753 ( -0.430 0.000 0.867) 0.968 1.774 ( -0.315 0.000 -0.539) 0.624 1.802 ( -1.436 0.000 -0.622) 1.565 1.826 ( 0.751 0.000 0.507) 0.906 1.907 ( -1.889 0.000 1.172) 2.223 1.915 ( -0.930 0.000 -0.526) 1.069 2.074 ( -0.648 0.000 -0.930) 1.133 2.176 ( -0.952 0.000 -2.976) 3.124 2.222 ( -0.498 0.000 -2.458) 2.508 2.326 ( -1.026 0.000 -4.099) 4.225 2.372 ( -0.445 0.000 -3.725) 3.752 3.134 ( -2.242 0.000 1.289) 2.586 3.162 ( -1.724 0.000 1.668) 2.399 3.260 ( -1.924 0.000 -1.521) 2.453 3.295 ( -1.008 0.000 -0.897) 1.350 3.476 ( -0.055 0.000 -1.398) 1.399 3.503 ( 0.600 0.000 0.172) 0.624 3.530 ( -1.567 0.000 -0.673) 1.705 3.546 ( -0.708 0.000 -0.951) 1.186 3.581 ( 1.094 0.000 0.856) 1.389 3.619 ( 1.190 0.000 0.603) 1.334 3.656 ( -0.439 0.000 -1.586) 1.646 3.683 ( 1.713 0.000 -0.271) 1.734 3.872 ( 0.581 0.000 -1.024) 1.178 3.878 ( -0.579 0.000 -1.184) 1.318 3.897 ( 1.705 0.000 -0.392) 1.750 3.904 ( 0.424 0.000 -0.739) 0.852 5.471 ( 0.400 0.000 1.151) 1.219 5.483 ( 0.097 0.000 0.810) 0.816 5.494 ( -0.402 0.000 1.038) 1.114 5.513 ( -0.975 0.000 0.750) 1.230 5.591 ( -0.503 0.000 2.959) 3.001 5.608 ( 0.122 0.000 2.297) 2.300 5.624 ( -0.705 0.000 1.457) 1.618 5.641 ( 0.007 0.000 0.889) 0.889 6.858 ( -0.046 0.000 -0.459) 0.461 6.865 ( -0.272 0.000 -0.578) 0.639 6.910 ( 0.410 0.000 -0.789) 0.889 6.921 ( 0.214 0.000 -0.894) 0.920 7.102 ( -0.001 0.000 -0.327) 0.327 7.116 ( -0.066 0.000 -0.503) 0.507 7.119 ( -0.225 0.000 0.154) 0.273 7.129 ( -0.034 0.000 -0.441) 0.442 8.203 ( -0.928 0.000 2.499) 2.666 8.264 ( 2.248 0.000 -1.863) 2.920 8.283 ( -0.782 0.000 1.299) 1.516 8.311 ( 2.196 0.000 -0.741) 2.317 8.652 ( -1.283 0.000 3.301) 3.542 8.711 ( -1.606 0.000 5.069) 5.317 8.839 ( -2.762 0.000 0.715) 2.853 8.867 ( -2.881 0.000 2.917) 4.099 9.580 ( 1.343 0.000 -0.841) 1.585 9.608 ( 1.552 0.000 -0.308) 1.582 9.669 ( 0.406 0.000 -2.716) 2.746 9.704 ( 1.631 0.000 -3.015) 3.428 9.719 ( 0.587 0.000 -1.032) 1.187 9.740 ( 2.487 0.000 -1.288) 2.801 9.742 ( -0.432 0.000 -0.383) 0.578 9.755 ( 1.989 0.000 -1.323) 2.389 10.439 ( 0.174 0.000 -0.215) 0.277 10.448 ( -0.318 0.000 1.184) 1.226 10.489 ( -0.607 0.000 -1.177) 1.324 10.499 ( -0.823 0.000 0.097) 0.829 10.916 ( -1.497 0.000 7.270) 7.423 10.964 ( -2.660 0.000 5.652) 6.247 10.968 ( -1.375 0.000 6.002) 6.158 10.989 ( -2.790 0.000 5.852) 6.483 ======================= Grid point 52 (28/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 2.311 0.000 4.705) 5.241 0.606 ( -1.234 0.000 6.231) 6.352 0.696 ( 1.652 0.000 12.121) 12.233 0.778 ( 4.437 0.000 -0.274) 4.445 0.810 ( -4.046 0.000 5.325) 6.687 0.862 ( 6.737 0.000 4.465) 8.082 0.882 ( -2.831 0.000 5.164) 5.889 0.896 ( 0.997 0.000 5.664) 5.751 1.056 ( -1.596 0.000 5.083) 5.328 1.123 ( -1.503 0.000 5.692) 5.887 1.162 ( 4.344 0.000 5.885) 7.314 1.203 ( 1.325 0.000 5.427) 5.586 1.219 ( -1.667 0.000 2.873) 3.321 1.303 ( 2.007 0.000 0.565) 2.085 1.356 ( 1.759 0.000 -0.781) 1.925 1.435 ( -2.480 0.000 3.409) 4.215 1.677 ( -1.580 0.000 0.924) 1.830 1.752 ( 0.290 0.000 1.051) 1.090 1.770 ( -2.168 0.000 1.592) 2.690 1.784 ( 0.694 0.000 2.056) 2.170 1.833 ( -0.332 0.000 0.519) 0.616 1.887 ( -0.980 0.000 1.482) 1.777 1.900 ( -0.347 0.000 -0.861) 0.928 2.034 ( -2.347 0.000 -1.665) 2.877 2.125 ( -2.098 0.000 -2.678) 3.402 2.173 ( -2.196 0.000 -2.639) 3.433 2.252 ( -3.161 0.000 -4.571) 5.558 2.302 ( -3.122 0.000 -4.939) 5.843 3.103 ( -2.225 0.000 1.691) 2.795 3.141 ( -2.252 0.000 2.258) 3.189 3.224 ( -0.691 0.000 -0.495) 0.850 3.275 ( -0.652 0.000 0.180) 0.676 3.467 ( 1.080 0.000 -2.114) 2.374 3.499 ( -0.154 0.000 -1.822) 1.828 3.508 ( 0.772 0.000 -1.643) 1.815 3.540 ( 0.683 0.000 -1.155) 1.342 3.595 ( -0.395 0.000 1.513) 1.563 3.619 ( -1.641 0.000 0.627) 1.757 3.652 ( -0.083 0.000 0.663) 0.668 3.698 ( -0.259 0.000 -0.204) 0.330 3.847 ( -1.653 0.000 -1.338) 2.127 3.869 ( -0.287 0.000 -1.018) 1.058 3.894 ( -0.805 0.000 -1.164) 1.415 3.918 ( 0.644 0.000 -0.837) 1.056 5.483 ( -0.590 0.000 1.484) 1.597 5.489 ( -1.008 0.000 0.633) 1.190 5.492 ( -0.118 0.000 1.854) 1.858 5.495 ( -1.377 0.000 0.822) 1.604 5.610 ( 0.162 0.000 2.582) 2.587 5.629 ( -0.013 0.000 1.579) 1.579 5.639 ( 1.480 0.000 1.559) 2.149 5.657 ( 1.114 0.000 0.919) 1.444 6.852 ( -0.192 0.000 -0.551) 0.584 6.857 ( -0.021 0.000 -0.513) 0.514 6.913 ( 0.506 0.000 -0.734) 0.891 6.918 ( 0.241 0.000 -0.940) 0.970 7.098 ( -0.226 0.000 -0.299) 0.375 7.107 ( -0.503 0.000 -0.519) 0.722 7.115 ( -0.333 0.000 0.172) 0.374 7.120 ( -0.411 0.000 -0.534) 0.674 8.207 ( -0.473 0.000 1.729) 1.793 8.273 ( -1.337 0.000 2.077) 2.470 8.302 ( 3.221 0.000 -1.779) 3.679 8.352 ( 2.701 0.000 -0.610) 2.769 8.658 ( -1.062 0.000 4.035) 4.172 8.727 ( -1.088 0.000 5.436) 5.544 8.787 ( -3.545 0.000 1.223) 3.750 8.833 ( -3.245 0.000 2.976) 4.403 9.606 ( 2.042 0.000 -0.986) 2.268 9.640 ( 2.035 0.000 -0.678) 2.145 9.660 ( 0.441 0.000 -1.741) 1.796 9.696 ( 0.048 0.000 -1.823) 1.823 9.722 ( 0.450 0.000 -0.754) 0.878 9.728 ( -0.572 0.000 -0.419) 0.709 9.777 ( 2.080 0.000 -3.175) 3.795 9.780 ( 3.286 0.000 -3.738) 4.977 10.440 ( 0.081 0.000 -0.065) 0.104 10.453 ( -0.087 0.000 1.142) 1.146 10.468 ( -0.540 0.000 -1.148) 1.269 10.486 ( -0.534 0.000 -0.004) 0.534 10.947 ( -1.449 0.000 7.501) 7.640 10.961 ( -2.295 0.000 5.338) 5.811 10.985 ( -2.379 0.000 5.344) 5.849 10.992 ( -1.489 0.000 6.674) 6.838 ======================= Grid point 53 (29/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -2.863 0.000 7.067) 7.625 0.693 ( 3.762 0.000 1.665) 4.113 0.778 ( -1.828 0.000 1.273) 2.227 0.811 ( 1.666 0.000 -0.540) 1.751 0.861 ( -2.290 0.000 6.256) 6.661 0.862 ( -3.714 0.000 -0.390) 3.734 0.906 ( 7.079 0.000 8.028) 10.704 1.027 ( 5.249 0.000 1.218) 5.388 1.058 ( -1.133 0.000 2.328) 2.589 1.129 ( -1.279 0.000 4.082) 4.278 1.166 ( -5.204 0.000 2.861) 5.938 1.276 ( 3.411 0.000 2.935) 4.500 1.307 ( 3.884 0.000 0.428) 3.908 1.323 ( -1.081 0.000 0.013) 1.082 1.379 ( -1.634 0.000 3.375) 3.750 1.407 ( 0.040 0.000 1.321) 1.321 1.679 ( 0.863 0.000 2.581) 2.721 1.750 ( -0.238 0.000 2.731) 2.742 1.782 ( -1.856 0.000 1.592) 2.445 1.806 ( 1.925 0.000 3.320) 3.838 1.854 ( 0.391 0.000 1.917) 1.956 1.884 ( -0.508 0.000 -1.324) 1.418 1.897 ( 0.626 0.000 2.016) 2.111 1.980 ( -1.860 0.000 -1.382) 2.317 2.072 ( -1.429 0.000 -1.621) 2.161 2.114 ( -2.374 0.000 -1.560) 2.841 2.160 ( -2.551 0.000 -4.335) 5.030 2.202 ( -3.208 0.000 -4.858) 5.821 3.081 ( -1.985 0.000 2.662) 3.321 3.115 ( -2.685 0.000 3.001) 4.027 3.233 ( 1.126 0.000 1.157) 1.614 3.277 ( 0.108 0.000 1.430) 1.434 3.493 ( 3.091 0.000 -0.923) 3.226 3.501 ( 1.417 0.000 -1.171) 1.838 3.522 ( 1.914 0.000 -0.887) 2.110 3.547 ( 0.832 0.000 -1.094) 1.375 3.579 ( -2.623 0.000 0.162) 2.628 3.592 ( -1.110 0.000 1.016) 1.505 3.642 ( -1.577 0.000 0.198) 1.590 3.670 ( -2.018 0.000 -1.199) 2.347 3.804 ( -1.673 0.000 -1.114) 2.010 3.847 ( -0.986 0.000 -0.970) 1.383 3.858 ( -1.969 0.000 -1.309) 2.364 3.904 ( -1.248 0.000 -1.152) 1.699 5.467 ( -1.620 0.000 0.843) 1.826 5.479 ( -1.151 0.000 2.035) 2.338 5.480 ( -1.039 0.000 0.624) 1.212 5.500 ( -0.845 0.000 2.444) 2.586 5.631 ( 0.171 0.000 1.768) 1.776 5.646 ( 0.480 0.000 1.534) 1.607 5.673 ( 1.363 0.000 0.067) 1.365 5.693 ( 1.612 0.000 0.970) 1.881 6.846 ( 0.008 0.000 -0.489) 0.489 6.856 ( 0.170 0.000 -0.336) 0.377 6.914 ( 0.318 0.000 -0.833) 0.891 6.919 ( 0.525 0.000 -0.666) 0.848 7.090 ( -0.352 0.000 -0.282) 0.451 7.092 ( -0.572 0.000 -0.466) 0.738 7.108 ( -0.466 0.000 -0.470) 0.662 7.111 ( -0.243 0.000 0.147) 0.284 8.211 ( -0.262 0.000 0.880) 0.918 8.268 ( -1.028 0.000 1.877) 2.140 8.343 ( 2.714 0.000 -2.291) 3.552 8.391 ( 2.105 0.000 -1.045) 2.350 8.678 ( -0.532 0.000 4.668) 4.698 8.736 ( -3.455 0.000 2.479) 4.252 8.753 ( -0.813 0.000 5.294) 5.356 8.801 ( -2.875 0.000 3.854) 4.808 9.634 ( 1.706 0.000 -0.709) 1.847 9.656 ( -0.018 0.000 -0.412) 0.412 9.664 ( 1.063 0.000 -0.671) 1.257 9.685 ( -0.102 0.000 -0.960) 0.965 9.714 ( 0.095 0.000 -1.272) 1.276 9.727 ( 0.578 0.000 -1.211) 1.342 9.780 ( 1.859 0.000 -4.811) 5.158 9.796 ( 2.438 0.000 -5.200) 5.743 10.441 ( -0.056 0.000 -0.199) 0.207 10.456 ( 0.088 0.000 -0.429) 0.438 10.462 ( 0.102 0.000 0.933) 0.939 10.481 ( -0.122 0.000 0.269) 0.295 10.956 ( -2.715 0.000 5.591) 6.215 10.979 ( -1.379 0.000 6.618) 6.760 10.981 ( -2.515 0.000 5.131) 5.714 11.016 ( -1.544 0.000 6.242) 6.430 ======================= Grid point 54 (30/84) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -1.443 0.000 4.909) 5.117 0.678 ( -5.717 0.000 -1.659) 5.953 0.738 ( -2.429 0.000 -0.794) 2.555 0.808 ( 1.264 0.000 -0.620) 1.408 0.877 ( 0.292 0.000 4.154) 4.164 0.901 ( 4.252 0.000 0.855) 4.338 1.008 ( -0.970 0.000 -1.183) 1.530 1.045 ( 0.481 0.000 -1.732) 1.798 1.081 ( -3.190 0.000 5.589) 6.436 1.133 ( 1.659 0.000 5.168) 5.427 1.143 ( -0.648 0.000 -0.276) 0.705 1.270 ( -3.282 0.000 2.369) 4.048 1.344 ( 2.403 0.000 1.386) 2.774 1.350 ( 0.751 0.000 4.015) 4.084 1.386 ( -1.441 0.000 -0.205) 1.455 1.433 ( 3.172 0.000 2.234) 3.879 1.732 ( 1.713 0.000 3.314) 3.731 1.763 ( -2.100 0.000 2.200) 3.041 1.787 ( 0.229 0.000 2.662) 2.672 1.835 ( -1.605 0.000 1.422) 2.144 1.853 ( -1.591 0.000 1.381) 2.107 1.869 ( 0.562 0.000 -0.992) 1.141 1.915 ( -0.973 0.000 1.188) 1.536 1.955 ( -0.118 0.000 -0.266) 0.291 2.047 ( -0.573 0.000 -1.340) 1.457 2.070 ( -1.484 0.000 0.228) 1.501 2.106 ( 0.097 0.000 -3.858) 3.860 2.139 ( 0.482 0.000 -2.871) 2.911 3.075 ( -1.327 0.000 3.660) 3.893 3.095 ( -2.226 0.000 3.743) 4.354 3.263 ( 0.484 0.000 1.530) 1.605 3.286 ( -0.797 0.000 1.404) 1.614 3.509 ( -0.576 0.000 0.078) 0.582 3.534 ( 0.293 0.000 -0.204) 0.357 3.550 ( -0.725 0.000 0.345) 0.803 3.563 ( 2.680 0.000 -0.971) 2.851 3.564 ( 2.593 0.000 -0.073) 2.594 3.579 ( -0.633 0.000 0.787) 1.010 3.602 ( -1.304 0.000 -1.275) 1.824 3.621 ( -1.504 0.000 -1.859) 2.391 3.784 ( 0.441 0.000 -0.506) 0.672 3.814 ( -1.522 0.000 -0.677) 1.665 3.835 ( 0.625 0.000 -0.404) 0.744 3.868 ( -1.398 0.000 -0.707) 1.566 5.450 ( -1.062 0.000 1.171) 1.580 5.468 ( -0.687 0.000 0.625) 0.929 5.475 ( -1.097 0.000 2.367) 2.609 5.502 ( -1.086 0.000 2.624) 2.840 5.642 ( -0.275 0.000 1.349) 1.377 5.662 ( 0.035 0.000 1.081) 1.082 5.687 ( 0.308 0.000 -0.604) 0.678 5.718 ( 0.521 0.000 0.125) 0.535 6.846 ( 0.340 0.000 -0.285) 0.443 6.858 ( 0.303 0.000 -0.154) 0.340 6.914 ( 0.350 0.000 -0.772) 0.848 6.923 ( 0.451 0.000 -0.542) 0.705 7.081 ( -0.243 0.000 -0.393) 0.462 7.082 ( -0.219 0.000 -0.258) 0.339 7.099 ( -0.185 0.000 -0.302) 0.354 7.109 ( -0.010 0.000 0.124) 0.124 8.212 ( -0.229 0.000 0.503) 0.553 8.263 ( -0.903 0.000 1.529) 1.776 8.360 ( 1.337 0.000 -2.888) 3.182 8.409 ( 1.022 0.000 -1.721) 2.002 8.684 ( -2.693 0.000 2.867) 3.933 8.725 ( -0.574 0.000 5.607) 5.636 8.758 ( -2.401 0.000 3.700) 4.411 8.807 ( -0.820 0.000 5.978) 6.034 9.649 ( -0.064 0.000 -0.247) 0.256 9.649 ( -0.536 0.000 -0.005) 0.536 9.668 ( 0.213 0.000 -0.410) 0.462 9.678 ( -0.048 0.000 -0.353) 0.356 9.714 ( 1.323 0.000 -2.247) 2.608 9.725 ( 0.705 0.000 -2.014) 2.134 9.776 ( 2.060 0.000 -5.274) 5.662 9.798 ( 2.608 0.000 -5.717) 6.283 10.434 ( -0.274 0.000 -0.527) 0.594 10.464 ( -0.359 0.000 0.200) 0.411 10.464 ( 0.610 0.000 0.338) 0.698 10.489 ( 0.384 0.000 0.977) 1.050 10.945 ( -3.033 0.000 5.064) 5.903 10.971 ( -2.780 0.000 4.732) 5.488 10.999 ( -2.015 0.000 6.322) 6.635 11.030 ( -2.048 0.000 5.810) 6.160 ======================= Grid point 55 (31/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -4.660 0.000 -2.212) 5.159 0.587 ( -4.015 0.000 3.383) 5.250 0.713 ( -1.002 0.000 2.454) 2.650 0.780 ( -2.210 0.000 -2.416) 3.275 0.908 ( -1.089 0.000 3.762) 3.916 0.953 ( -4.452 0.000 1.131) 4.593 0.990 ( 3.195 0.000 3.060) 4.424 1.047 ( -1.987 0.000 3.137) 3.713 1.066 ( -2.291 0.000 4.609) 5.147 1.111 ( -3.838 0.000 0.303) 3.850 1.142 ( 2.742 0.000 -4.171) 4.992 1.296 ( 0.034 0.000 3.069) 3.070 1.316 ( -3.107 0.000 0.546) 3.155 1.403 ( -0.447 0.000 1.535) 1.599 1.412 ( 3.175 0.000 2.710) 4.174 1.511 ( 1.310 0.000 1.839) 2.258 1.734 ( -2.620 0.000 2.299) 3.486 1.769 ( -4.071 0.000 0.436) 4.094 1.781 ( 0.769 0.000 3.060) 3.155 1.788 ( -1.876 0.000 1.826) 2.618 1.826 ( -1.974 0.000 0.761) 2.115 1.874 ( -3.427 0.000 0.239) 3.436 1.894 ( 1.569 0.000 1.165) 1.954 1.963 ( 0.766 0.000 0.343) 0.839 2.028 ( 0.215 0.000 -1.635) 1.649 2.071 ( 1.006 0.000 0.883) 1.338 2.113 ( 3.362 0.000 -2.342) 4.098 2.173 ( 4.219 0.000 -0.937) 4.322 3.090 ( -0.304 0.000 3.805) 3.817 3.096 ( -0.813 0.000 3.837) 3.922 3.265 ( -1.064 0.000 0.743) 1.298 3.269 ( -1.266 0.000 0.538) 1.376 3.499 ( -0.313 0.000 -0.603) 0.679 3.503 ( -1.968 0.000 -1.916) 2.747 3.535 ( -1.588 0.000 -1.108) 1.936 3.536 ( -0.860 0.000 -0.389) 0.944 3.600 ( 0.708 0.000 0.519) 0.878 3.612 ( 1.283 0.000 0.311) 1.320 3.618 ( 3.168 0.000 0.030) 3.168 3.625 ( 1.333 0.000 0.892) 1.603 3.795 ( 0.753 0.000 -0.113) 0.761 3.816 ( 1.984 0.000 0.062) 1.985 3.851 ( 0.782 0.000 -0.136) 0.794 3.866 ( 1.919 0.000 -0.105) 1.922 5.448 ( -0.223 0.000 1.405) 1.423 5.467 ( 0.047 0.000 0.699) 0.701 5.475 ( -0.924 0.000 2.277) 2.458 5.502 ( -0.986 0.000 2.289) 2.492 5.640 ( -1.139 0.000 1.300) 1.728 5.663 ( -0.732 0.000 0.788) 1.075 5.673 ( -1.137 0.000 -0.738) 1.355 5.713 ( -0.848 0.000 -0.550) 1.011 6.853 ( 0.485 0.000 -0.125) 0.501 6.864 ( 0.380 0.000 -0.017) 0.380 6.915 ( 0.322 0.000 -0.716) 0.785 6.926 ( 0.296 0.000 -0.538) 0.614 7.079 ( 0.357 0.000 -0.331) 0.487 7.080 ( 0.171 0.000 -0.222) 0.281 7.098 ( 0.261 0.000 -0.118) 0.286 7.112 ( 0.190 0.000 0.116) 0.222 8.211 ( -0.434 0.000 0.836) 0.942 8.257 ( -1.197 0.000 1.510) 1.927 8.349 ( 0.066 0.000 -3.160) 3.160 8.400 ( -0.331 0.000 -2.497) 2.518 8.655 ( -2.738 0.000 3.230) 4.234 8.740 ( -2.710 0.000 3.850) 4.708 8.768 ( 0.243 0.000 5.468) 5.474 8.842 ( -0.564 0.000 5.977) 6.004 9.633 ( -0.564 0.000 -1.326) 1.441 9.640 ( 0.040 0.000 -0.928) 0.929 9.665 ( -0.136 0.000 -1.028) 1.037 9.678 ( 0.344 0.000 -0.365) 0.501 9.718 ( 0.795 0.000 -1.759) 1.930 9.727 ( 0.674 0.000 -1.316) 1.479 9.773 ( 1.690 0.000 -4.680) 4.976 9.805 ( 2.682 0.000 -5.241) 5.887 10.425 ( -0.153 0.000 -0.533) 0.555 10.456 ( -0.530 0.000 0.086) 0.537 10.480 ( 0.700 0.000 0.383) 0.798 10.503 ( 0.292 0.000 1.016) 1.057 10.925 ( -3.341 0.000 4.934) 5.958 10.954 ( -2.992 0.000 4.660) 5.538 11.003 ( -2.672 0.000 5.954) 6.526 11.031 ( -2.627 0.000 5.500) 6.095 ======================= Grid point 56 (32/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -3.322 0.000 0.709) 3.397 0.554 ( -3.934 0.000 6.565) 7.654 0.722 ( -1.362 0.000 -4.009) 4.234 0.724 ( -0.871 0.000 4.438) 4.523 0.862 ( -7.474 0.000 7.210) 10.385 0.904 ( -2.869 0.000 3.529) 4.548 0.994 ( -5.270 0.000 2.468) 5.820 1.021 ( -2.364 0.000 -1.823) 2.986 1.069 ( -1.001 0.000 9.248) 9.302 1.103 ( -2.364 0.000 7.756) 8.108 1.118 ( -2.543 0.000 -5.198) 5.787 1.278 ( -2.662 0.000 -0.111) 2.664 1.292 ( -1.304 0.000 1.723) 2.161 1.356 ( -3.526 0.000 -1.178) 3.718 1.435 ( -2.774 0.000 -0.152) 2.778 1.449 ( -7.378 0.000 1.226) 7.479 1.719 ( -1.485 0.000 2.571) 2.969 1.741 ( -0.553 0.000 0.819) 0.988 1.771 ( -2.314 0.000 1.068) 2.548 1.792 ( 1.181 0.000 2.308) 2.592 1.808 ( -0.696 0.000 0.348) 0.778 1.866 ( 1.383 0.000 3.179) 3.466 1.928 ( 0.626 0.000 1.737) 1.846 1.996 ( 2.459 0.000 0.216) 2.468 2.046 ( 3.054 0.000 0.221) 3.062 2.118 ( 3.330 0.000 0.232) 3.338 2.183 ( 5.456 0.000 -1.041) 5.555 2.255 ( 5.079 0.000 -0.960) 5.169 3.116 ( 0.263 0.000 3.362) 3.373 3.124 ( 0.547 0.000 3.210) 3.257 3.257 ( 0.209 0.000 0.832) 0.858 3.268 ( 0.733 0.000 0.529) 0.904 3.462 ( -0.348 0.000 -2.017) 2.047 3.489 ( 0.360 0.000 -1.299) 1.348 3.515 ( 0.432 0.000 -1.592) 1.650 3.523 ( -0.226 0.000 -0.576) 0.619 3.602 ( -1.007 0.000 0.725) 1.240 3.640 ( -0.114 0.000 0.838) 0.846 3.644 ( 0.881 0.000 1.069) 1.385 3.665 ( 1.788 0.000 -0.062) 1.789 3.823 ( 1.995 0.000 0.167) 2.002 3.856 ( 2.147 0.000 -0.358) 2.177 3.870 ( 1.037 0.000 -0.302) 1.080 3.898 ( 1.436 0.000 -0.917) 1.704 5.461 ( 0.287 0.000 1.446) 1.474 5.474 ( -0.918 0.000 1.684) 1.918 5.480 ( 0.734 0.000 0.730) 1.035 5.499 ( -0.940 0.000 1.280) 1.589 5.621 ( -2.056 0.000 1.627) 2.622 5.640 ( -1.964 0.000 0.040) 1.965 5.652 ( -1.116 0.000 0.918) 1.445 5.685 ( -1.541 0.000 -0.552) 1.637 6.860 ( 0.368 0.000 -0.129) 0.389 6.871 ( 0.324 0.000 -0.003) 0.325 6.914 ( 0.217 0.000 -0.723) 0.754 6.926 ( 0.229 0.000 -0.590) 0.633 7.085 ( 0.537 0.000 -0.200) 0.574 7.089 ( 0.904 0.000 -0.303) 0.953 7.105 ( 0.605 0.000 -0.006) 0.605 7.117 ( 0.228 0.000 0.080) 0.242 8.210 ( -0.629 0.000 1.822) 1.928 8.241 ( -1.877 0.000 1.799) 2.600 8.317 ( -0.735 0.000 -3.167) 3.251 8.361 ( -1.382 0.000 -2.955) 3.263 8.638 ( -1.892 0.000 3.401) 3.892 8.721 ( -2.659 0.000 4.172) 4.947 8.814 ( 0.498 0.000 4.561) 4.588 8.874 ( -0.875 0.000 5.390) 5.460 9.614 ( -0.190 0.000 -2.040) 2.049 9.641 ( 1.274 0.000 -1.937) 2.319 9.646 ( -0.606 0.000 -2.032) 2.120 9.687 ( 1.135 0.000 -0.750) 1.360 9.718 ( 0.088 0.000 -0.635) 0.641 9.727 ( 0.412 0.000 -0.522) 0.665 9.761 ( 0.574 0.000 -3.929) 3.970 9.806 ( 1.424 0.000 -4.816) 5.022 10.422 ( 0.274 0.000 -0.474) 0.547 10.449 ( -0.332 0.000 0.257) 0.420 10.495 ( 0.694 0.000 0.161) 0.713 10.514 ( 0.037 0.000 0.894) 0.895 10.903 ( -3.315 0.000 5.286) 6.239 10.938 ( -2.784 0.000 5.055) 5.771 10.995 ( -3.072 0.000 5.741) 6.511 11.021 ( -3.022 0.000 5.434) 6.218 ======================= Grid point 57 (33/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -4.825 0.000 4.567) 6.644 0.515 ( -6.752 0.000 7.772) 10.295 0.663 ( -1.858 0.000 -4.444) 4.816 0.742 ( -1.439 0.000 4.771) 4.983 0.817 ( -3.718 0.000 8.134) 8.944 0.887 ( -2.752 0.000 6.270) 6.848 0.891 ( -7.409 0.000 2.367) 7.778 0.913 ( -14.110 0.000 2.336) 14.302 0.969 ( -3.319 0.000 1.400) 3.602 1.108 ( -4.453 0.000 9.552) 10.539 1.152 ( 1.271 0.000 6.685) 6.805 1.226 ( -2.062 0.000 -0.110) 2.065 1.270 ( -3.699 0.000 2.910) 4.706 1.291 ( -4.654 0.000 2.315) 5.198 1.339 ( -6.141 0.000 -0.431) 6.156 1.379 ( 0.379 0.000 1.209) 1.267 1.722 ( 0.284 0.000 1.965) 1.986 1.739 ( -1.966 0.000 0.977) 2.196 1.742 ( 0.160 0.000 0.324) 0.362 1.819 ( 0.801 0.000 0.027) 0.802 1.827 ( 0.843 0.000 0.247) 0.878 1.912 ( 0.692 0.000 2.470) 2.565 1.945 ( -0.207 0.000 1.381) 1.397 2.039 ( 2.474 0.000 -0.621) 2.551 2.137 ( 4.917 0.000 1.497) 5.140 2.175 ( 2.936 0.000 -1.277) 3.202 2.280 ( 5.563 0.000 -0.968) 5.647 2.329 ( 4.101 0.000 -2.058) 4.589 3.146 ( 0.166 0.000 2.697) 2.702 3.157 ( 0.424 0.000 2.540) 2.575 3.285 ( 1.670 0.000 0.865) 1.881 3.295 ( 1.297 0.000 0.293) 1.330 3.463 ( 1.421 0.000 -0.887) 1.675 3.502 ( 1.935 0.000 -0.251) 1.951 3.512 ( -0.144 0.000 -1.174) 1.183 3.521 ( 0.339 0.000 0.251) 0.422 3.578 ( -1.616 0.000 -0.135) 1.621 3.646 ( -1.148 0.000 -0.245) 1.174 3.650 ( 1.218 0.000 -0.099) 1.222 3.678 ( 0.286 0.000 -1.276) 1.308 3.858 ( 1.819 0.000 -0.300) 1.843 3.874 ( 0.117 0.000 -1.177) 1.183 3.884 ( 1.397 0.000 -0.590) 1.516 3.899 ( -0.051 0.000 -1.477) 1.478 5.467 ( -0.881 0.000 0.910) 1.266 5.477 ( 0.242 0.000 1.340) 1.361 5.488 ( -0.837 0.000 0.185) 0.858 5.502 ( 0.833 0.000 0.741) 1.115 5.597 ( -2.146 0.000 2.357) 3.188 5.611 ( -1.730 0.000 1.437) 2.249 5.639 ( -1.134 0.000 1.200) 1.651 5.656 ( -1.293 0.000 0.104) 1.297 6.863 ( 0.152 0.000 -0.254) 0.296 6.875 ( 0.141 0.000 -0.142) 0.200 6.912 ( 0.174 0.000 -0.747) 0.767 6.925 ( 0.223 0.000 -0.674) 0.710 7.094 ( 0.623 0.000 -0.224) 0.662 7.104 ( 0.985 0.000 -0.352) 1.046 7.118 ( 0.681 0.000 -0.022) 0.681 7.120 ( 0.102 0.000 0.024) 0.105 8.220 ( -2.040 0.000 2.338) 3.103 8.224 ( 0.309 0.000 2.930) 2.946 8.279 ( -0.677 0.000 -2.895) 2.974 8.314 ( -1.079 0.000 -2.604) 2.819 8.639 ( -1.044 0.000 3.374) 3.532 8.709 ( -2.324 0.000 4.484) 5.051 8.852 ( 0.295 0.000 3.152) 3.165 8.891 ( -1.434 0.000 4.431) 4.658 9.592 ( -0.417 0.000 -1.953) 1.997 9.616 ( -0.908 0.000 -1.664) 1.896 9.655 ( 2.168 0.000 -2.627) 3.406 9.703 ( 1.412 0.000 -1.783) 2.274 9.714 ( 0.272 0.000 -0.803) 0.848 9.735 ( -0.430 0.000 -2.553) 2.589 9.737 ( 0.695 0.000 0.001) 0.695 9.779 ( -0.467 0.000 -4.150) 4.177 10.427 ( 0.597 0.000 -0.356) 0.695 10.448 ( -0.239 0.000 0.513) 0.566 10.505 ( 0.439 0.000 -0.260) 0.511 10.518 ( -0.335 0.000 0.685) 0.762 10.889 ( -2.851 0.000 6.021) 6.662 10.935 ( -2.021 0.000 5.607) 5.960 10.982 ( -3.112 0.000 5.671) 6.469 11.007 ( -3.073 0.000 5.558) 6.351 ======================= Grid point 58 (34/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -4.958 0.000 9.788) 10.972 0.459 ( -5.794 0.000 9.950) 11.514 0.587 ( -2.453 0.000 -2.360) 3.404 0.734 ( -3.413 0.000 4.986) 6.042 0.745 ( -5.343 0.000 5.919) 7.974 0.830 ( -0.287 0.000 3.617) 3.629 0.832 ( -4.058 0.000 8.373) 9.305 0.901 ( -4.500 0.000 11.180) 12.052 0.935 ( -0.764 0.000 3.377) 3.462 1.101 ( -5.001 0.000 10.932) 12.022 1.160 ( -7.662 0.000 4.990) 9.143 1.204 ( 0.405 0.000 0.785) 0.883 1.212 ( -0.731 0.000 0.677) 0.996 1.246 ( -3.250 0.000 1.986) 3.809 1.312 ( 0.957 0.000 4.372) 4.476 1.410 ( 0.047 0.000 3.005) 3.005 1.709 ( -2.118 0.000 1.991) 2.907 1.748 ( 0.007 0.000 0.838) 0.838 1.761 ( 2.220 0.000 -0.161) 2.226 1.821 ( -0.335 0.000 -0.106) 0.351 1.827 ( -0.453 0.000 -0.917) 1.023 1.924 ( -0.871 0.000 1.335) 1.594 1.938 ( -1.231 0.000 0.413) 1.299 2.072 ( 1.436 0.000 -0.680) 1.589 2.197 ( 1.226 0.000 -2.732) 2.994 2.214 ( 2.574 0.000 -0.262) 2.587 2.343 ( 2.296 0.000 -2.704) 3.547 2.372 ( 2.708 0.000 -2.573) 3.735 3.155 ( -1.158 0.000 1.738) 2.089 3.173 ( -0.657 0.000 1.777) 1.895 3.298 ( -0.719 0.000 -1.026) 1.253 3.310 ( 0.330 0.000 -0.444) 0.554 3.478 ( -0.165 0.000 0.569) 0.592 3.499 ( -0.450 0.000 0.776) 0.897 3.537 ( 0.209 0.000 1.464) 1.479 3.553 ( 2.028 0.000 1.901) 2.780 3.559 ( 0.737 0.000 -1.307) 1.500 3.606 ( -1.314 0.000 -2.268) 2.621 3.668 ( 0.547 0.000 -1.966) 2.040 3.671 ( 1.173 0.000 -2.087) 2.394 3.868 ( 0.542 0.000 -1.165) 1.285 3.881 ( 1.029 0.000 -0.755) 1.276 3.886 ( 0.007 0.000 -1.012) 1.012 3.898 ( 0.686 0.000 -0.630) 0.931 5.462 ( -0.233 0.000 0.712) 0.749 5.478 ( -0.187 0.000 0.186) 0.264 5.489 ( -0.048 0.000 1.261) 1.262 5.516 ( 0.002 0.000 0.728) 0.728 5.585 ( -1.350 0.000 2.894) 3.194 5.600 ( -1.071 0.000 2.190) 2.438 5.629 ( -1.005 0.000 1.325) 1.663 5.641 ( -0.700 0.000 0.710) 0.997 6.862 ( 0.009 0.000 -0.384) 0.385 6.873 ( -0.114 0.000 -0.381) 0.398 6.910 ( 0.264 0.000 -0.767) 0.812 6.924 ( 0.223 0.000 -0.779) 0.811 7.102 ( 0.363 0.000 -0.301) 0.472 7.116 ( 0.538 0.000 -0.434) 0.691 7.121 ( -0.081 0.000 0.058) 0.100 7.127 ( 0.443 0.000 -0.213) 0.492 8.205 ( -1.580 0.000 2.729) 3.153 8.255 ( 0.496 0.000 -2.407) 2.457 8.265 ( 1.373 0.000 1.999) 2.425 8.293 ( 0.592 0.000 -1.566) 1.674 8.648 ( -0.890 0.000 3.210) 3.332 8.706 ( -1.963 0.000 4.748) 5.138 8.866 ( -0.914 0.000 1.438) 1.704 8.889 ( -2.158 0.000 3.475) 4.091 9.575 ( 0.061 0.000 -1.202) 1.203 9.597 ( 0.030 0.000 -0.781) 0.781 9.677 ( 2.571 0.000 -3.097) 4.025 9.691 ( -0.036 0.000 -2.859) 2.859 9.716 ( 0.672 0.000 -1.093) 1.283 9.732 ( 1.235 0.000 -1.223) 1.738 9.741 ( -0.693 0.000 -1.392) 1.555 9.746 ( 0.295 0.000 -0.213) 0.364 10.435 ( 0.478 0.000 -0.273) 0.551 10.447 ( -0.443 0.000 0.912) 1.014 10.504 ( -0.142 0.000 -0.801) 0.814 10.512 ( -0.746 0.000 0.400) 0.846 10.893 ( -2.116 0.000 6.795) 7.117 10.949 ( -1.428 0.000 5.751) 5.926 10.971 ( -2.928 0.000 5.664) 6.376 10.996 ( -2.879 0.000 5.690) 6.377 ======================= Grid point 59 (35/84) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 3.005 -3.876 6.497) 8.141 0.520 ( 3.005 3.876 6.497) 8.141 0.608 ( 0.312 -5.500 8.757) 10.346 0.608 ( 0.312 5.500 8.757) 10.346 0.821 ( 0.875 -2.412 5.124) 5.731 0.821 ( 0.875 2.412 5.124) 5.731 0.892 ( -2.426 -5.608 8.631) 10.575 0.892 ( -2.426 5.608 8.631) 10.575 0.998 ( -2.746 -3.940 6.083) 7.750 0.998 ( -2.746 3.940 6.083) 7.750 1.188 ( -3.543 -1.128 3.542) 5.135 1.188 ( -3.543 1.128 3.542) 5.135 1.224 ( 1.826 -1.747 3.448) 4.276 1.224 ( 1.826 1.747 3.448) 4.276 1.384 ( -0.133 -2.282 2.530) 3.410 1.384 ( -0.133 2.282 2.530) 3.410 1.720 ( -1.416 -1.872 1.023) 2.561 1.720 ( -1.416 1.872 1.023) 2.561 1.791 ( -1.092 -0.793 -0.843) 1.591 1.791 ( -1.092 0.793 -0.843) 1.591 1.845 ( 0.436 -1.605 1.018) 1.950 1.845 ( 0.436 1.605 1.018) 1.950 2.026 ( -1.205 -3.998 -0.352) 4.190 2.026 ( -1.205 3.998 -0.352) 4.190 2.187 ( -0.854 -1.186 -3.029) 3.363 2.187 ( -0.854 1.186 -3.029) 3.363 2.355 ( -0.603 -1.288 -3.730) 3.992 2.355 ( -0.603 1.288 -3.730) 3.992 3.147 ( -2.027 -0.873 1.423) 2.626 3.147 ( -2.027 0.873 1.423) 2.626 3.277 ( -1.388 -1.082 -1.192) 2.126 3.277 ( -1.388 1.082 -1.192) 2.126 3.491 ( 0.261 -0.847 -0.535) 1.035 3.491 ( 0.261 0.847 -0.535) 1.035 3.536 ( -1.114 -0.479 -0.877) 1.497 3.536 ( -1.114 0.479 -0.877) 1.497 3.597 ( 0.750 -1.069 0.643) 1.456 3.597 ( 0.750 1.069 0.643) 1.456 3.673 ( 1.001 -0.772 -0.748) 1.469 3.673 ( 1.001 0.772 -0.748) 1.469 3.874 ( 0.173 -0.152 -1.063) 1.088 3.874 ( 0.173 0.152 -1.063) 1.088 3.901 ( 0.889 -0.195 -0.600) 1.090 3.901 ( 0.889 0.195 -0.600) 1.090 5.475 ( 0.290 -0.297 1.045) 1.124 5.475 ( 0.290 0.297 1.045) 1.124 5.505 ( -0.716 -0.526 0.837) 1.220 5.505 ( -0.716 0.526 0.837) 1.220 5.597 ( -0.387 -0.472 2.687) 2.756 5.597 ( -0.387 0.472 2.687) 2.756 5.634 ( -0.164 -0.482 1.122) 1.232 5.634 ( -0.164 0.482 1.122) 1.232 6.861 ( -0.136 -0.216 -0.516) 0.576 6.861 ( -0.136 0.216 -0.516) 0.576 6.916 ( 0.287 -0.354 -0.846) 0.961 6.916 ( 0.287 0.354 -0.846) 0.961 7.107 ( -0.064 -0.354 -0.255) 0.441 7.107 ( -0.064 0.354 -0.255) 0.441 7.126 ( -0.097 -0.227 -0.322) 0.406 7.126 ( -0.097 0.227 -0.322) 0.406 8.227 ( -0.481 -1.798 1.625) 2.471 8.227 ( -0.481 1.798 1.625) 2.471 8.298 ( 1.873 -0.849 -0.635) 2.153 8.298 ( 1.873 0.849 -0.635) 2.153 8.679 ( -1.424 -1.807 3.931) 4.554 8.679 ( -1.424 1.807 3.931) 4.554 8.857 ( -2.830 -0.862 2.048) 3.598 8.857 ( -2.830 0.862 2.048) 3.598 9.592 ( 1.407 -0.841 -0.691) 1.779 9.592 ( 1.407 0.841 -0.691) 1.779 9.685 ( 0.918 -0.986 -2.483) 2.825 9.685 ( 0.918 0.986 -2.483) 2.825 9.730 ( 0.733 -0.462 -1.138) 1.430 9.730 ( 0.733 0.462 -1.138) 1.430 9.751 ( 1.664 -0.289 -1.087) 2.009 9.751 ( 1.664 0.289 -1.087) 2.009 10.443 ( -0.048 -0.263 0.367) 0.454 10.443 ( -0.048 0.263 0.367) 0.454 10.494 ( -0.748 -0.304 -0.417) 0.909 10.494 ( -0.748 0.304 -0.417) 0.909 10.935 ( -1.629 -1.277 6.602) 6.919 10.935 ( -1.629 1.277 6.602) 6.919 10.984 ( -2.527 -0.432 5.762) 6.307 10.984 ( -2.527 0.432 5.762) 6.307 ======================= Grid point 61 (36/84) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.352 -2.632 8.799) 9.191 0.624 ( 0.352 2.632 8.799) 9.191 0.687 ( 3.645 -4.388 3.183) 6.532 0.687 ( 3.645 4.388 3.183) 6.532 0.844 ( -1.489 -1.672 5.715) 6.138 0.844 ( -1.489 1.672 5.715) 6.138 0.970 ( -0.520 -1.517 1.053) 1.919 0.970 ( -0.520 1.517 1.053) 1.919 1.024 ( 2.772 -2.360 7.971) 8.763 1.024 ( 2.772 2.360 7.971) 8.763 1.166 ( -0.384 -1.302 5.449) 5.616 1.166 ( -0.384 1.302 5.449) 5.616 1.291 ( 1.870 -2.057 2.041) 3.449 1.291 ( 1.870 2.057 2.041) 3.449 1.390 ( -1.053 -2.506 1.591) 3.150 1.390 ( -1.053 2.506 1.591) 3.150 1.707 ( -1.027 -2.277 0.912) 2.659 1.707 ( -1.027 2.277 0.912) 2.659 1.770 ( -0.322 -0.467 1.634) 1.729 1.770 ( -0.322 0.467 1.634) 1.729 1.860 ( -0.027 -1.323 1.116) 1.731 1.860 ( -0.027 1.323 1.116) 1.731 1.990 ( -1.908 -3.769 -1.046) 4.352 1.990 ( -1.908 3.769 -1.046) 4.352 2.134 ( -2.213 -1.161 -2.784) 3.741 2.134 ( -2.213 1.161 -2.784) 3.741 2.285 ( -3.103 -1.349 -4.691) 5.784 2.285 ( -3.103 1.349 -4.691) 5.784 3.119 ( -2.240 -1.132 1.832) 3.107 3.119 ( -2.240 1.132 1.832) 3.107 3.251 ( -0.621 -1.537 -0.050) 1.659 3.251 ( -0.621 1.537 -0.050) 1.659 3.484 ( 0.668 -1.077 -2.018) 2.383 3.484 ( 0.668 1.077 -2.018) 2.383 3.522 ( 0.432 -1.054 -1.322) 1.745 3.522 ( 0.432 1.054 -1.322) 1.745 3.603 ( -0.804 -0.592 1.363) 1.689 3.603 ( -0.804 0.592 1.363) 1.689 3.681 ( -0.338 -1.304 -0.033) 1.347 3.681 ( -0.338 1.304 -0.033) 1.347 3.855 ( -1.213 -0.624 -1.256) 1.854 3.855 ( -1.213 0.624 -1.256) 1.854 3.909 ( 0.175 -0.676 -0.918) 1.154 3.909 ( 0.175 0.676 -0.918) 1.154 5.485 ( -0.609 -0.173 1.334) 1.476 5.485 ( -0.609 0.173 1.334) 1.476 5.495 ( -0.940 -0.068 1.059) 1.417 5.495 ( -0.940 0.068 1.059) 1.417 5.617 ( 0.241 -0.494 2.254) 2.320 5.617 ( 0.241 0.494 2.254) 2.320 5.651 ( 1.131 -0.471 1.076) 1.630 5.651 ( 1.131 0.471 1.076) 1.630 6.855 ( -0.103 -0.160 -0.531) 0.564 6.855 ( -0.103 0.160 -0.531) 0.564 6.915 ( 0.371 -0.177 -0.839) 0.934 6.915 ( 0.371 0.177 -0.839) 0.934 7.101 ( -0.338 -0.262 -0.287) 0.515 7.101 ( -0.338 0.262 -0.287) 0.515 7.118 ( -0.401 -0.155 -0.308) 0.529 7.118 ( -0.401 0.155 -0.308) 0.529 8.232 ( -0.445 -1.785 1.561) 2.413 8.232 ( -0.445 1.785 1.561) 2.413 8.335 ( 2.563 -1.292 -0.762) 2.970 8.335 ( 2.563 1.292 -0.762) 2.970 8.687 ( -1.210 -1.990 4.268) 4.862 8.687 ( -1.210 1.990 4.268) 4.862 8.817 ( -3.275 -1.268 2.544) 4.337 8.817 ( -3.275 1.268 2.544) 4.337 9.618 ( 1.925 -0.915 -0.938) 2.328 9.618 ( 1.925 0.915 -0.938) 2.328 9.682 ( 0.460 -0.990 -1.678) 2.002 9.682 ( 0.460 0.990 -1.678) 2.002 9.726 ( -0.127 -0.185 -0.599) 0.640 9.726 ( -0.127 0.185 -0.599) 0.640 9.778 ( 2.650 -0.107 -3.379) 4.295 9.778 ( 2.650 0.107 -3.379) 4.295 10.445 ( -0.003 -0.361 0.216) 0.421 10.445 ( -0.003 0.361 0.216) 0.421 10.479 ( -0.539 -0.511 -0.242) 0.781 10.479 ( -0.539 0.511 -0.242) 0.781 10.955 ( -1.877 -0.437 6.448) 6.730 10.955 ( -1.877 0.437 6.448) 6.730 10.988 ( -1.934 -0.232 5.963) 6.273 10.988 ( -1.934 0.232 5.963) 6.273 ======================= Grid point 63 (37/84) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -1.163 -3.463 5.059) 6.240 0.666 ( -1.163 3.463 5.059) 6.240 0.761 ( 2.554 -1.380 1.852) 3.443 0.761 ( 2.554 1.380 1.852) 3.443 0.873 ( -1.449 -3.637 1.151) 4.080 0.873 ( -1.449 3.637 1.151) 4.080 0.971 ( 1.860 -3.286 3.650) 5.252 0.971 ( 1.860 3.286 3.650) 5.252 1.080 ( -0.512 -1.623 3.996) 4.343 1.080 ( -0.512 1.623 3.996) 4.343 1.227 ( -0.355 -3.137 0.930) 3.291 1.227 ( -0.355 3.137 0.930) 3.291 1.325 ( 1.733 -1.129 3.529) 4.090 1.325 ( 1.733 1.129 3.529) 4.090 1.386 ( -0.605 -1.213 0.659) 1.507 1.386 ( -0.605 1.213 0.659) 1.507 1.709 ( 0.521 -2.008 2.566) 3.300 1.709 ( 0.521 2.008 2.566) 3.300 1.800 ( 0.391 -0.388 2.811) 2.864 1.800 ( 0.391 0.388 2.811) 2.864 1.865 ( -0.064 -1.154 0.966) 1.507 1.865 ( -0.064 1.154 0.966) 1.507 1.953 ( -1.096 -2.487 -0.710) 2.809 1.953 ( -1.096 2.487 -0.710) 2.809 2.078 ( -1.767 -1.012 -1.553) 2.561 2.078 ( -1.767 1.012 -1.553) 2.561 2.189 ( -3.015 -1.059 -4.548) 5.558 2.189 ( -3.015 1.059 -4.548) 5.558 3.096 ( -2.220 -1.036 2.771) 3.699 3.096 ( -2.220 1.036 2.771) 3.699 3.257 ( 0.530 -1.369 1.342) 1.989 3.257 ( 0.530 1.369 1.342) 1.989 3.502 ( 2.654 -0.536 -1.004) 2.888 3.502 ( 2.654 0.536 -1.004) 2.888 3.526 ( 0.785 -1.069 -0.970) 1.644 3.526 ( 0.785 1.069 -0.970) 1.644 3.586 ( -1.739 -0.435 0.723) 1.933 3.586 ( -1.739 0.435 0.723) 1.933 3.658 ( -1.750 -0.840 -0.682) 2.058 3.658 ( -1.750 0.840 -0.682) 2.058 3.817 ( -1.612 -1.032 -1.116) 2.215 3.817 ( -1.612 1.032 -1.116) 2.215 3.889 ( -1.338 -1.121 -1.156) 2.094 3.889 ( -1.338 1.121 -1.156) 2.094 5.470 ( -1.432 -0.243 0.946) 1.734 5.470 ( -1.432 0.243 0.946) 1.734 5.493 ( -0.886 -0.517 2.020) 2.265 5.493 ( -0.886 0.517 2.020) 2.265 5.637 ( 0.298 -0.442 1.531) 1.622 5.637 ( 0.298 0.442 1.531) 1.622 5.685 ( 1.507 -0.596 0.647) 1.746 5.685 ( 1.507 0.596 0.647) 1.746 6.851 ( 0.080 -0.308 -0.424) 0.530 6.851 ( 0.080 0.308 -0.424) 0.530 6.917 ( 0.431 -0.128 -0.739) 0.865 6.917 ( 0.431 0.128 -0.739) 0.865 7.091 ( -0.474 -0.078 -0.366) 0.604 7.091 ( -0.474 0.078 -0.366) 0.604 7.109 ( -0.345 -0.082 -0.169) 0.393 7.109 ( -0.345 0.082 -0.169) 0.393 8.234 ( -0.404 -1.659 1.077) 2.019 8.234 ( -0.404 1.659 1.077) 2.019 8.372 ( 2.198 -1.391 -1.347) 2.929 8.372 ( 2.198 1.391 -1.347) 2.929 8.699 ( -1.262 -1.504 4.195) 4.631 8.699 ( -1.262 1.504 4.195) 4.631 8.786 ( -2.596 -1.188 3.940) 4.865 8.786 ( -2.596 1.188 3.940) 4.865 9.642 ( 1.269 -0.578 -0.596) 1.516 9.642 ( 1.269 0.578 -0.596) 1.516 9.677 ( 0.028 -0.535 -0.772) 0.939 9.677 ( 0.028 0.535 -0.772) 0.939 9.720 ( 0.345 -0.425 -1.268) 1.381 9.720 ( 0.345 0.425 -1.268) 1.381 9.789 ( 2.172 -0.493 -4.976) 5.452 9.789 ( 2.172 0.493 -4.976) 5.452 10.446 ( 0.036 -0.399 -0.090) 0.410 10.446 ( 0.036 0.399 -0.090) 0.410 10.474 ( -0.030 -0.485 0.381) 0.618 10.474 ( -0.030 0.485 0.381) 0.618 10.962 ( -2.446 -0.497 5.643) 6.170 10.962 ( -2.446 0.497 5.643) 6.170 11.004 ( -1.631 -0.850 6.144) 6.414 11.004 ( -1.631 0.850 6.144) 6.414 ======================= Grid point 65 (38/84) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -3.582 -1.659 1.625) 4.269 0.654 ( -3.582 1.659 1.625) 4.269 0.787 ( -1.551 -2.190 -0.873) 2.822 0.787 ( -1.551 2.190 -0.873) 2.822 0.865 ( 2.574 -2.133 1.625) 3.717 0.865 ( 2.574 2.133 1.625) 3.717 1.035 ( 1.816 -0.779 1.776) 2.657 1.035 ( 1.816 0.779 1.776) 2.657 1.078 ( -3.398 -2.390 1.221) 4.330 1.078 ( -3.398 2.390 1.221) 4.330 1.225 ( 0.707 -4.895 3.440) 6.025 1.225 ( 0.707 4.895 3.440) 6.025 1.347 ( -2.164 -3.145 0.837) 3.909 1.347 ( -2.164 3.145 0.837) 3.909 1.412 ( 3.181 -1.496 2.342) 4.224 1.412 ( 3.181 1.496 2.342) 4.224 1.748 ( 0.315 -0.933 3.125) 3.277 1.748 ( 0.315 0.933 3.125) 3.277 1.813 ( -0.999 -1.345 2.242) 2.799 1.813 ( -0.999 1.345 2.242) 2.799 1.860 ( -0.903 -0.505 -0.377) 1.101 1.860 ( -0.903 0.505 -0.377) 1.101 1.941 ( -0.426 -1.229 0.265) 1.328 1.941 ( -0.426 1.229 0.265) 1.328 2.047 ( -0.891 -0.551 -0.584) 1.199 2.047 ( -0.891 0.551 -0.584) 1.199 2.128 ( 0.161 -0.884 -3.188) 3.312 2.128 ( 0.161 0.884 -3.188) 3.312 3.084 ( -1.725 -0.639 3.688) 4.121 3.084 ( -1.725 0.639 3.688) 4.121 3.276 ( -0.194 -0.718 1.481) 1.657 3.276 ( -0.194 0.718 1.481) 1.657 3.521 ( -0.797 -0.837 0.080) 1.158 3.521 ( -0.797 0.837 0.080) 1.158 3.553 ( 1.578 -0.293 -0.543) 1.694 3.553 ( 1.578 0.293 -0.543) 1.694 3.573 ( 1.126 -0.478 0.426) 1.295 3.573 ( 1.126 0.478 0.426) 1.295 3.615 ( -1.478 -0.574 -1.539) 2.210 3.615 ( -1.478 0.574 -1.539) 2.210 3.794 ( -0.093 -0.776 -0.520) 0.939 3.794 ( -0.093 0.776 -0.520) 0.939 3.857 ( -0.868 -0.854 -0.637) 1.374 3.857 ( -0.868 0.854 -0.637) 1.374 5.456 ( -0.968 -0.446 1.129) 1.552 5.456 ( -0.968 0.446 1.129) 1.552 5.492 ( -0.985 -0.703 2.250) 2.554 5.492 ( -0.985 0.703 2.250) 2.554 5.648 ( -0.170 -0.526 1.055) 1.191 5.648 ( -0.170 0.526 1.055) 1.191 5.706 ( 0.451 -0.879 -0.064) 0.990 5.706 ( 0.451 0.879 -0.064) 0.990 6.852 ( 0.321 -0.375 -0.237) 0.547 6.852 ( 0.321 0.375 -0.237) 0.547 6.919 ( 0.401 -0.280 -0.640) 0.806 6.919 ( 0.401 0.280 -0.640) 0.806 7.081 ( -0.242 -0.026 -0.352) 0.428 7.081 ( -0.242 0.026 -0.352) 0.428 7.104 ( -0.086 -0.326 -0.061) 0.343 7.104 ( -0.086 0.326 -0.061) 0.343 8.234 ( -0.422 -1.544 0.751) 1.768 8.234 ( -0.422 1.544 0.751) 1.768 8.389 ( 1.029 -1.468 -2.034) 2.711 8.389 ( 1.029 1.468 -2.034) 2.711 8.698 ( -2.073 -1.108 3.639) 4.332 8.698 ( -2.073 1.108 3.639) 4.332 8.789 ( -1.163 -1.325 5.432) 5.711 8.789 ( -1.163 1.325 5.432) 5.711 9.649 ( -0.302 -0.021 -0.151) 0.339 9.649 ( -0.302 0.021 -0.151) 0.339 9.673 ( 0.101 -0.323 -0.362) 0.495 9.673 ( 0.101 0.323 -0.362) 0.495 9.720 ( 1.015 -0.347 -2.099) 2.357 9.720 ( 1.015 0.347 -2.099) 2.357 9.787 ( 2.315 -0.671 -5.524) 6.027 9.787 ( 2.315 0.671 -5.524) 6.027 10.444 ( -0.140 -0.718 -0.285) 0.785 10.444 ( -0.140 0.718 -0.285) 0.785 10.482 ( 0.322 -0.526 0.782) 0.995 10.482 ( 0.322 0.526 0.782) 0.995 10.955 ( -2.879 -0.736 5.049) 5.858 10.955 ( -2.879 0.736 5.049) 5.858 11.018 ( -2.057 -0.885 5.915) 6.325 11.018 ( -2.057 0.885 5.915) 6.325 ======================= Grid point 67 (39/84) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -4.443 -1.118 -0.125) 4.583 0.575 ( -4.443 1.118 -0.125) 4.583 0.754 ( -1.956 -2.751 1.047) 3.534 0.754 ( -1.956 2.751 1.047) 3.534 0.929 ( 1.351 -1.772 2.294) 3.198 0.929 ( 1.351 1.772 2.294) 3.198 0.992 ( -5.284 -2.527 2.199) 6.256 0.992 ( -5.284 2.527 2.199) 6.256 1.087 ( 0.994 -1.112 1.712) 2.271 1.087 ( 0.994 1.112 1.712) 2.271 1.236 ( -0.976 -4.442 -0.048) 4.549 1.236 ( -0.976 4.442 -0.048) 4.549 1.344 ( -0.334 -2.669 2.046) 3.380 1.344 ( -0.334 2.669 2.046) 3.380 1.479 ( 1.197 -2.357 2.207) 3.443 1.479 ( 1.197 2.357 2.207) 3.443 1.752 ( -2.062 -0.950 1.356) 2.644 1.752 ( -2.062 0.950 1.356) 2.644 1.794 ( -2.235 -0.533 2.897) 3.697 1.794 ( -2.235 0.533 2.897) 3.697 1.836 ( -1.498 -1.116 0.044) 1.869 1.836 ( -1.498 1.116 0.044) 1.869 1.939 ( 0.273 -1.786 0.626) 1.912 1.939 ( 0.273 1.786 0.626) 1.912 2.038 ( 0.800 -1.151 -0.723) 1.577 2.038 ( 0.800 1.151 -0.723) 1.577 2.150 ( 3.781 -1.670 -1.253) 4.319 2.150 ( 3.781 1.670 -1.253) 4.319 3.093 ( -0.551 -0.190 3.816) 3.860 3.093 ( -0.551 0.190 3.816) 3.860 3.267 ( -1.172 -0.139 0.641) 1.343 3.267 ( -1.172 0.139 0.641) 1.343 3.500 ( -1.142 -0.109 -1.177) 1.643 3.500 ( -1.142 0.109 -1.177) 1.643 3.536 ( -1.173 -0.055 -0.809) 1.427 3.536 ( -1.173 0.055 -0.809) 1.427 3.604 ( 1.085 -0.377 0.311) 1.190 3.604 ( 1.085 0.377 0.311) 1.190 3.625 ( 2.093 -0.257 0.556) 2.181 3.625 ( 2.093 0.257 0.556) 2.181 3.803 ( 1.251 -0.629 -0.037) 1.401 3.803 ( 1.251 0.629 -0.037) 1.401 3.861 ( 1.478 -0.423 -0.117) 1.542 3.861 ( 1.478 0.423 -0.117) 1.542 5.454 ( -0.228 -0.465 1.318) 1.416 5.454 ( -0.228 0.465 1.318) 1.416 5.492 ( -0.798 -0.716 1.988) 2.259 5.492 ( -0.798 0.716 1.988) 2.259 5.645 ( -1.069 -0.487 0.926) 1.496 5.645 ( -1.069 0.487 0.926) 1.496 5.699 ( -0.877 -1.007 -0.497) 1.425 5.699 ( -0.877 1.007 -0.497) 1.425 6.858 ( 0.438 -0.353 -0.090) 0.569 6.858 ( 0.438 0.353 -0.090) 0.569 6.921 ( 0.303 -0.343 -0.609) 0.762 6.921 ( 0.303 0.343 -0.609) 0.762 7.079 ( 0.283 -0.010 -0.292) 0.407 7.079 ( 0.283 0.010 -0.292) 0.407 7.105 ( 0.207 -0.439 0.015) 0.486 7.105 ( 0.207 0.439 0.015) 0.486 8.230 ( -0.685 -1.372 0.953) 1.805 8.230 ( -0.685 1.372 0.953) 1.805 8.377 ( -0.303 -1.525 -2.593) 3.024 8.377 ( -0.303 1.525 -2.593) 3.024 8.685 ( -2.283 -2.171 3.557) 4.751 8.685 ( -2.283 2.171 3.557) 4.751 8.818 ( -0.561 -1.863 5.690) 6.013 8.818 ( -0.561 1.863 5.690) 6.013 9.636 ( -0.332 -0.204 -1.190) 1.252 9.636 ( -0.332 0.204 -1.190) 1.252 9.672 ( 0.175 -0.380 -0.613) 0.742 9.672 ( 0.175 0.380 -0.613) 0.742 9.722 ( 0.681 -0.271 -1.549) 1.714 9.722 ( 0.681 0.271 -1.549) 1.714 9.789 ( 2.226 -1.005 -4.969) 5.536 9.789 ( 2.226 1.005 -4.969) 5.536 10.438 ( -0.187 -0.885 -0.311) 0.956 10.438 ( -0.187 0.885 -0.311) 0.956 10.494 ( 0.345 -0.657 0.789) 1.083 10.494 ( 0.345 0.657 0.789) 1.083 10.937 ( -3.176 -0.876 4.882) 5.889 10.937 ( -3.176 0.876 4.882) 5.889 11.019 ( -2.637 -0.816 5.642) 6.281 11.019 ( -2.637 0.816 5.642) 6.281 ======================= Grid point 69 (40/84) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -2.533 -2.506 2.010) 4.091 0.519 ( -2.533 2.506 2.010) 4.091 0.723 ( -3.313 -1.853 2.224) 4.399 0.723 ( -3.313 1.853 2.224) 4.399 0.894 ( -5.368 -1.301 4.026) 6.835 0.894 ( -5.368 1.301 4.026) 6.835 0.978 ( -1.020 -1.471 3.606) 4.026 0.978 ( -1.020 1.471 3.606) 4.026 1.082 ( -3.047 -0.207 3.335) 4.522 1.082 ( -3.047 0.207 3.335) 4.522 1.222 ( -1.578 -4.927 0.062) 5.174 1.222 ( -1.578 4.927 0.062) 5.174 1.320 ( -3.104 -2.387 0.096) 3.917 1.320 ( -3.104 2.387 0.096) 3.917 1.441 ( -5.501 -0.431 0.622) 5.553 1.441 ( -5.501 0.431 0.622) 5.553 1.735 ( -0.862 -1.276 1.346) 2.045 1.735 ( -0.862 1.276 1.346) 2.045 1.788 ( -0.516 -1.230 2.296) 2.656 1.788 ( -0.516 1.230 2.296) 2.656 1.823 ( -0.286 -1.643 1.433) 2.199 1.823 ( -0.286 1.643 1.433) 2.199 1.969 ( 1.993 -1.928 1.192) 3.018 1.969 ( 1.993 1.928 1.192) 3.018 2.073 ( 3.400 -2.024 0.005) 3.956 2.073 ( 3.400 2.024 0.005) 3.956 2.228 ( 5.148 -2.013 -0.917) 5.604 2.228 ( 5.148 2.013 -0.917) 5.604 3.120 ( 0.406 -0.240 3.283) 3.317 3.120 ( 0.406 0.240 3.283) 3.317 3.263 ( 0.481 -0.352 0.680) 0.904 3.263 ( 0.481 0.352 0.680) 0.904 3.473 ( -0.010 -0.821 -1.766) 1.948 3.473 ( -0.010 0.821 -1.766) 1.948 3.519 ( -0.025 -0.247 -0.937) 0.969 3.519 ( -0.025 0.247 -0.937) 0.969 3.618 ( -0.425 -0.980 0.919) 1.409 3.618 ( -0.425 0.980 0.919) 1.409 3.660 ( 1.288 -0.444 0.335) 1.403 3.660 ( 1.288 0.444 0.335) 1.403 3.834 ( 1.973 -0.881 -0.009) 2.161 3.834 ( 1.973 0.881 -0.009) 2.161 3.888 ( 1.352 -0.705 -0.696) 1.676 3.888 ( 1.352 0.705 -0.696) 1.676 5.465 ( 0.099 -0.329 1.435) 1.475 5.465 ( 0.099 0.329 1.435) 1.475 5.492 ( -0.508 -0.495 1.101) 1.310 5.492 ( -0.508 0.495 1.101) 1.310 5.626 ( -1.874 -0.421 1.278) 2.307 5.626 ( -1.874 0.421 1.278) 2.307 5.673 ( -1.478 -0.868 -0.225) 1.729 5.673 ( -1.478 0.868 -0.225) 1.729 6.865 ( 0.347 -0.333 -0.086) 0.489 6.865 ( 0.347 0.333 -0.086) 0.489 6.921 ( 0.222 -0.369 -0.636) 0.768 6.921 ( 0.222 0.369 -0.636) 0.768 7.087 ( 0.749 -0.123 -0.259) 0.802 7.087 ( 0.749 0.123 -0.259) 0.802 7.111 ( 0.390 -0.356 0.044) 0.530 7.111 ( 0.390 0.356 0.044) 0.530 8.223 ( -1.132 -0.934 1.677) 2.229 8.223 ( -1.132 0.934 1.677) 2.229 8.341 ( -1.216 -1.337 -2.908) 3.423 8.341 ( -1.216 1.337 -2.908) 3.423 8.674 ( -1.955 -2.431 3.637) 4.792 8.674 ( -1.955 2.431 3.637) 4.792 8.851 ( -0.482 -1.708 5.098) 5.398 8.851 ( -0.482 1.708 5.098) 5.398 9.621 ( -0.009 -0.600 -2.074) 2.159 9.621 ( -0.009 0.600 -2.074) 2.159 9.673 ( 0.763 -1.022 -1.356) 1.861 9.673 ( 0.763 1.022 -1.356) 1.861 9.721 ( 0.256 -0.261 -0.597) 0.700 9.721 ( 0.256 0.261 -0.597) 0.700 9.785 ( 1.006 -1.353 -4.281) 4.601 9.785 ( 1.006 1.353 -4.281) 4.601 10.434 ( 0.084 -0.828 -0.205) 0.857 10.434 ( 0.084 0.828 -0.205) 0.857 10.506 ( 0.253 -0.577 0.625) 0.888 10.506 ( 0.253 0.577 0.625) 0.888 10.918 ( -3.074 -1.064 5.211) 6.144 10.918 ( -3.074 1.064 5.211) 6.144 11.010 ( -3.013 -0.758 5.542) 6.353 11.010 ( -3.013 0.758 5.542) 6.353 ======================= Grid point 71 (41/84) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -3.010 -3.464 3.263) 5.631 0.494 ( -3.010 3.464 3.263) 5.631 0.652 ( -6.583 -3.427 3.233) 8.096 0.652 ( -6.583 3.427 3.233) 8.096 0.854 ( -2.475 -2.041 3.885) 5.038 0.854 ( -2.475 2.041 3.885) 5.038 0.945 ( -6.857 -1.109 5.368) 8.779 0.945 ( -6.857 1.109 5.368) 8.779 1.056 ( -4.044 -3.399 6.409) 8.306 1.056 ( -4.044 3.399 6.409) 8.306 1.144 ( -5.000 -5.475 1.574) 7.580 1.144 ( -5.000 5.475 1.574) 7.580 1.278 ( -1.862 -1.405 1.729) 2.904 1.278 ( -1.862 1.405 1.729) 2.904 1.376 ( -2.345 -1.072 1.598) 3.033 1.376 ( -2.345 1.072 1.598) 3.033 1.726 ( -0.554 -0.727 0.997) 1.353 1.726 ( -0.554 0.727 0.997) 1.353 1.802 ( -0.042 -2.587 1.021) 2.781 1.802 ( -0.042 2.587 1.021) 2.781 1.838 ( 0.422 -2.081 0.901) 2.306 1.838 ( 0.422 2.081 0.901) 2.306 2.012 ( 1.668 -2.296 0.607) 2.902 2.012 ( 1.668 2.296 0.607) 2.902 2.150 ( 4.114 -1.158 0.183) 4.278 2.150 ( 4.114 1.158 0.183) 4.278 2.309 ( 4.597 -1.456 -1.699) 5.113 2.309 ( 4.597 1.456 -1.699) 5.113 3.151 ( 0.299 -0.331 2.611) 2.649 3.151 ( 0.299 0.331 2.611) 2.649 3.291 ( 1.457 -0.327 0.559) 1.594 3.291 ( 1.457 0.327 0.559) 1.594 3.478 ( 1.336 -1.142 -0.818) 1.939 3.478 ( 1.336 1.142 -0.818) 1.939 3.517 ( 0.322 -0.269 -0.176) 0.455 3.517 ( 0.322 0.269 -0.176) 0.455 3.607 ( -0.972 -1.712 0.066) 1.970 3.607 ( -0.972 1.712 0.066) 1.970 3.672 ( 0.393 -0.543 -0.911) 1.131 3.672 ( 0.393 0.543 -0.911) 1.131 3.864 ( 1.362 -0.438 -0.570) 1.540 3.864 ( 1.362 0.438 -0.570) 1.540 3.894 ( 0.297 -0.406 -1.197) 1.299 3.894 ( 0.297 0.406 -1.197) 1.299 5.471 ( -0.624 -0.266 0.961) 1.176 5.471 ( -0.624 0.266 0.961) 1.176 5.496 ( 0.285 -0.407 0.618) 0.792 5.496 ( 0.285 0.407 0.618) 0.792 5.603 ( -1.894 -0.436 2.066) 2.836 5.603 ( -1.894 0.436 2.066) 2.836 5.649 ( -1.251 -0.512 0.502) 1.442 5.649 ( -1.251 0.512 0.502) 1.442 6.868 ( 0.148 -0.350 -0.220) 0.439 6.868 ( 0.148 0.350 -0.220) 0.439 6.919 ( 0.201 -0.413 -0.690) 0.828 6.919 ( 0.201 0.413 -0.690) 0.828 7.099 ( 0.766 -0.313 -0.289) 0.877 7.099 ( 0.766 0.313 -0.289) 0.877 7.119 ( 0.437 -0.090 -0.004) 0.446 7.119 ( 0.437 0.090 -0.004) 0.446 8.219 ( -1.003 -0.144 2.603) 2.794 8.219 ( -1.003 0.144 2.603) 2.794 8.297 ( -0.878 -1.085 -2.678) 3.020 8.297 ( -0.878 1.085 -2.678) 3.020 8.671 ( -1.485 -2.162 3.745) 4.572 8.671 ( -1.485 2.162 3.745) 4.572 8.875 ( -0.758 -1.175 3.949) 4.189 8.875 ( -0.758 1.175 3.949) 4.189 9.601 ( -0.428 -0.659 -1.922) 2.077 9.601 ( -0.428 0.659 -1.922) 2.077 9.679 ( 1.377 -1.282 -2.024) 2.763 9.679 ( 1.377 1.282 -2.024) 2.763 9.725 ( 0.623 -0.405 -0.695) 1.017 9.725 ( 0.623 0.405 -0.695) 1.017 9.759 ( -0.453 -1.200 -3.034) 3.294 9.759 ( -0.453 1.200 -3.034) 3.294 10.437 ( 0.235 -0.630 -0.004) 0.673 10.437 ( 0.235 0.630 -0.004) 0.673 10.512 ( -0.016 -0.382 0.306) 0.490 10.512 ( -0.016 0.382 0.306) 0.490 10.909 ( -2.495 -1.349 5.814) 6.469 10.909 ( -2.495 1.349 5.814) 6.469 10.998 ( -3.013 -0.699 5.596) 6.394 10.998 ( -3.013 0.699 5.596) 6.394 ======================= Grid point 73 (42/84) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -2.340 -3.871 4.798) 6.594 0.466 ( -2.340 3.871 4.798) 6.594 0.576 ( -4.309 -4.935 6.245) 9.051 0.576 ( -4.309 4.935 6.245) 9.051 0.818 ( -4.255 -1.879 3.275) 5.689 0.818 ( -4.255 1.879 3.275) 5.689 0.889 ( -3.884 -3.792 8.777) 10.320 0.889 ( -3.884 3.792 8.777) 10.320 1.017 ( -5.451 -4.283 7.783) 10.423 1.017 ( -5.451 4.283 7.783) 10.423 1.142 ( 1.497 -2.512 3.319) 4.423 1.142 ( 1.497 2.512 3.319) 4.423 1.252 ( -3.299 -1.162 2.492) 4.295 1.252 ( -3.299 1.162 2.492) 4.295 1.368 ( -0.629 -2.725 2.721) 3.902 1.368 ( -0.629 2.725 2.721) 3.902 1.731 ( -0.336 -0.898 1.146) 1.494 1.731 ( -0.336 0.898 1.146) 1.494 1.802 ( -0.073 -2.087 -0.208) 2.099 1.802 ( -0.073 2.087 -0.208) 2.099 1.842 ( -0.396 -2.024 0.342) 2.090 1.842 ( -0.396 2.024 0.342) 2.090 2.034 ( 0.372 -3.143 0.182) 3.170 2.034 ( 0.372 3.143 0.182) 3.170 2.200 ( 1.735 -0.482 -1.709) 2.483 2.200 ( 1.735 0.482 -1.709) 2.483 2.360 ( 2.592 -0.871 -2.531) 3.726 2.360 ( 2.592 0.871 -2.531) 3.726 3.164 ( -0.918 -0.535 1.752) 2.049 3.164 ( -0.918 0.535 1.752) 2.049 3.303 ( -0.232 -0.388 -0.766) 0.889 3.303 ( -0.232 0.388 -0.766) 0.889 3.487 ( -0.218 -0.628 0.698) 0.964 3.487 ( -0.218 0.628 0.698) 0.964 3.545 ( 1.601 -0.447 1.688) 2.369 3.545 ( 1.601 0.447 1.688) 2.369 3.582 ( -0.742 -1.426 -1.638) 2.295 3.582 ( -0.742 1.426 -1.638) 2.295 3.670 ( 0.763 -0.186 -2.066) 2.210 3.670 ( 0.763 0.186 -2.066) 2.210 3.872 ( 0.552 -0.334 -1.064) 1.244 3.872 ( 0.552 0.334 -1.064) 1.244 3.894 ( 0.578 -0.303 -0.729) 0.978 3.894 ( 0.578 0.303 -0.729) 0.978 5.467 ( -0.205 -0.408 0.639) 0.785 5.467 ( -0.205 0.408 0.639) 0.785 5.506 ( -0.037 -0.738 0.815) 1.101 5.506 ( -0.037 0.738 0.815) 1.101 5.592 ( -1.251 -0.471 2.599) 2.923 5.592 ( -1.251 0.471 2.599) 2.923 5.636 ( -0.814 -0.368 0.973) 1.321 5.636 ( -0.814 0.368 0.973) 1.321 6.867 ( -0.034 -0.332 -0.396) 0.518 6.867 ( -0.034 0.332 -0.396) 0.518 6.918 ( 0.228 -0.427 -0.766) 0.906 6.918 ( 0.228 0.427 -0.766) 0.906 7.107 ( 0.337 -0.385 -0.300) 0.593 7.107 ( 0.337 0.385 -0.300) 0.593 7.126 ( 0.307 -0.156 -0.165) 0.382 7.126 ( 0.307 0.156 -0.165) 0.382 8.224 ( -0.712 -1.495 2.199) 2.753 8.224 ( -0.712 1.495 2.199) 2.753 8.280 ( 0.849 -0.889 -1.448) 1.900 8.280 ( 0.849 0.889 -1.448) 1.900 8.675 ( -1.346 -1.820 3.788) 4.413 8.675 ( -1.346 1.820 3.788) 4.413 8.880 ( -1.623 -0.745 2.642) 3.189 8.880 ( -1.623 0.745 2.642) 3.189 9.584 ( 0.113 -0.670 -1.056) 1.255 9.584 ( 0.113 0.670 -1.056) 1.255 9.687 ( 1.309 -0.424 -2.806) 3.126 9.687 ( 1.309 0.424 -2.806) 3.126 9.722 ( 0.508 -0.627 -1.712) 1.893 9.722 ( 0.508 0.627 -1.712) 1.893 9.743 ( 0.175 -0.239 -0.330) 0.443 9.743 ( 0.175 0.239 -0.330) 0.443 10.441 ( 0.047 -0.356 0.255) 0.440 10.441 ( 0.047 0.356 0.255) 0.440 10.508 ( -0.476 -0.237 -0.127) 0.546 10.508 ( -0.476 0.237 -0.127) 0.546 10.917 ( -1.889 -1.544 6.279) 6.736 10.917 ( -1.889 1.544 6.279) 6.736 10.989 ( -2.783 -0.624 5.657) 6.335 10.989 ( -2.783 0.624 5.657) 6.335 ======================= Grid point 75 (43/84) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 3.105 0.000 0.353) 3.124 0.691 ( 1.112 0.000 9.177) 9.244 0.770 ( 4.445 0.000 0.326) 4.457 0.805 ( 0.437 0.000 11.715) 11.723 0.865 ( -2.794 0.000 6.995) 7.532 0.912 ( -1.641 0.000 3.328) 3.711 0.999 ( -3.588 0.000 3.468) 4.990 1.005 ( -2.539 0.000 6.570) 7.043 1.102 ( -1.461 0.000 4.629) 4.854 1.228 ( 1.534 0.000 0.090) 1.536 1.231 ( -2.221 0.000 4.050) 4.619 1.258 ( -2.764 0.000 5.214) 5.901 1.259 ( 0.852 0.000 3.560) 3.661 1.317 ( -0.046 0.000 5.354) 5.354 1.334 ( -1.269 0.000 0.147) 1.277 1.506 ( -1.343 0.000 2.610) 2.935 1.735 ( -1.789 0.000 2.293) 2.908 1.770 ( -0.048 0.000 0.565) 0.567 1.774 ( 1.866 0.000 0.847) 2.049 1.823 ( 0.009 0.000 2.965) 2.965 1.835 ( -0.030 0.000 0.303) 0.304 1.897 ( -1.636 0.000 -1.448) 2.185 1.933 ( -1.705 0.000 1.320) 2.156 2.040 ( -1.091 0.000 -2.247) 2.498 2.113 ( -0.684 0.000 -3.414) 3.482 2.165 ( -1.036 0.000 -3.318) 3.476 2.233 ( -1.000 0.000 -5.110) 5.207 2.283 ( -1.389 0.000 -5.171) 5.355 3.166 ( -2.283 0.000 1.859) 2.944 3.206 ( -1.686 0.000 2.673) 3.161 3.240 ( -1.760 0.000 -0.610) 1.863 3.288 ( -0.562 0.000 0.177) 0.589 3.434 ( -0.658 0.000 -2.359) 2.449 3.484 ( -0.917 0.000 -1.904) 2.113 3.487 ( -1.915 0.000 -3.016) 3.573 3.512 ( -0.329 0.000 -2.222) 2.247 3.608 ( 1.438 0.000 1.675) 2.208 3.643 ( 0.612 0.000 1.391) 1.520 3.645 ( 1.586 0.000 0.405) 1.637 3.685 ( 1.941 0.000 0.337) 1.970 3.852 ( 0.752 0.000 -1.005) 1.255 3.853 ( -0.716 0.000 -1.234) 1.427 3.888 ( 0.062 0.000 -0.778) 0.780 3.890 ( 1.507 0.000 -0.374) 1.552 5.487 ( 1.313 0.000 0.396) 1.371 5.499 ( 0.736 0.000 0.785) 1.076 5.503 ( -0.403 0.000 -0.021) 0.403 5.521 ( -0.789 0.000 0.240) 0.824 5.654 ( -0.811 0.000 3.090) 3.195 5.658 ( -0.399 0.000 2.572) 2.602 5.664 ( -0.961 0.000 2.378) 2.565 5.670 ( -0.377 0.000 1.903) 1.940 6.851 ( -0.152 0.000 -0.262) 0.303 6.855 ( -0.410 0.000 -0.364) 0.549 6.892 ( 0.573 0.000 -1.021) 1.171 6.901 ( 0.265 0.000 -1.155) 1.185 7.096 ( 0.016 0.000 -0.267) 0.268 7.105 ( -0.029 0.000 -0.641) 0.641 7.118 ( -0.042 0.000 -0.596) 0.597 7.119 ( -0.092 0.000 -0.123) 0.154 8.238 ( 2.108 0.000 -0.773) 2.245 8.239 ( -0.978 0.000 1.050) 1.435 8.308 ( 1.994 0.000 0.480) 2.051 8.310 ( -0.500 0.000 1.377) 1.465 8.726 ( -0.955 0.000 4.085) 4.196 8.803 ( -0.896 0.000 3.957) 4.057 8.862 ( -2.687 0.000 1.535) 3.095 8.916 ( -2.524 0.000 1.858) 3.134 9.563 ( 1.237 0.000 -0.897) 1.528 9.598 ( 1.462 0.000 -0.718) 1.629 9.612 ( 1.153 0.000 -2.788) 3.017 9.642 ( 1.502 0.000 -2.930) 3.293 9.701 ( 0.771 0.000 -0.776) 1.094 9.715 ( 1.428 0.000 -1.206) 1.869 9.733 ( -0.323 0.000 -0.581) 0.665 9.735 ( 0.416 0.000 -0.840) 0.938 10.437 ( 0.201 0.000 0.065) 0.211 10.465 ( -0.043 0.000 0.464) 0.466 10.468 ( -0.748 0.000 -0.877) 1.152 10.495 ( -0.766 0.000 -0.473) 0.901 11.052 ( -1.313 0.000 6.159) 6.297 11.082 ( -1.563 0.000 5.240) 5.469 11.089 ( -2.792 0.000 6.696) 7.254 11.115 ( -2.365 0.000 6.374) 6.798 ======================= Grid point 76 (44/84) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 3.480 0.000 0.124) 3.482 0.761 ( 0.700 0.000 -0.690) 0.983 0.771 ( -2.657 0.000 9.426) 9.793 0.879 ( -0.165 0.000 4.871) 4.873 0.896 ( -2.369 0.000 1.992) 3.095 0.954 ( -1.987 0.000 2.472) 3.171 0.963 ( 3.936 0.000 5.199) 6.521 0.997 ( -4.455 0.000 5.101) 6.773 1.099 ( -1.815 0.000 3.411) 3.864 1.200 ( -2.242 0.000 0.353) 2.270 1.225 ( -0.680 0.000 -1.302) 1.469 1.292 ( -0.866 0.000 2.524) 2.669 1.310 ( 2.007 0.000 4.588) 5.008 1.347 ( -1.393 0.000 5.919) 6.081 1.370 ( 4.292 0.000 3.341) 5.439 1.489 ( -2.908 0.000 2.806) 4.041 1.725 ( -1.296 0.000 3.577) 3.804 1.799 ( 0.955 0.000 3.470) 3.599 1.815 ( -0.094 0.000 0.363) 0.375 1.831 ( -1.342 0.000 3.563) 3.807 1.843 ( 1.992 0.000 0.729) 2.121 1.870 ( -0.146 0.000 -2.044) 2.050 1.923 ( -0.528 0.000 2.326) 2.385 1.989 ( -2.020 0.000 -2.451) 3.177 2.065 ( -0.972 0.000 -3.063) 3.213 2.119 ( -1.216 0.000 -3.052) 3.285 2.158 ( -2.825 0.000 -4.691) 5.476 2.197 ( -3.029 0.000 -5.533) 6.308 3.146 ( -1.632 0.000 2.433) 2.929 3.195 ( -1.966 0.000 2.930) 3.529 3.228 ( 0.579 0.000 0.711) 0.916 3.289 ( 0.224 0.000 1.076) 1.099 3.432 ( 2.048 0.000 -1.156) 2.352 3.455 ( 0.754 0.000 -2.321) 2.441 3.472 ( 1.389 0.000 -1.608) 2.125 3.507 ( 1.276 0.000 -1.825) 2.227 3.624 ( -0.756 0.000 1.232) 1.445 3.632 ( -2.412 0.000 0.399) 2.445 3.665 ( -0.225 0.000 0.509) 0.557 3.691 ( -1.177 0.000 -0.674) 1.357 3.822 ( -1.579 0.000 -1.043) 1.892 3.849 ( -0.333 0.000 -0.902) 0.961 3.872 ( -1.087 0.000 -0.939) 1.436 3.902 ( 0.138 0.000 -0.751) 0.763 5.492 ( -0.602 0.000 -0.307) 0.676 5.504 ( -1.241 0.000 0.165) 1.252 5.511 ( 0.267 0.000 1.159) 1.189 5.519 ( 0.903 0.000 0.788) 1.198 5.663 ( -0.616 0.000 2.602) 2.674 5.670 ( -0.409 0.000 2.312) 2.348 5.670 ( -0.076 0.000 1.775) 1.777 5.687 ( 0.671 0.000 1.793) 1.914 6.843 ( -0.294 0.000 -0.307) 0.425 6.850 ( 0.034 0.000 -0.186) 0.189 6.896 ( 0.567 0.000 -0.961) 1.116 6.898 ( 0.519 0.000 -1.009) 1.135 7.092 ( -0.242 0.000 -0.260) 0.356 7.096 ( -0.411 0.000 -0.551) 0.687 7.110 ( -0.329 0.000 -0.457) 0.563 7.115 ( -0.229 0.000 -0.161) 0.279 8.229 ( -0.739 0.000 0.443) 0.862 8.276 ( 2.520 0.000 -0.869) 2.665 8.305 ( -0.992 0.000 1.183) 1.543 8.349 ( 1.962 0.000 0.190) 1.971 8.746 ( -0.627 0.000 4.580) 4.623 8.820 ( -0.533 0.000 3.688) 3.726 8.826 ( -2.793 0.000 2.688) 3.876 8.887 ( -2.285 0.000 2.324) 3.259 9.585 ( 2.064 0.000 -1.010) 2.298 9.620 ( 1.916 0.000 -2.263) 2.965 9.622 ( 1.919 0.000 -1.011) 2.169 9.648 ( 1.705 0.000 -2.837) 3.310 9.704 ( 0.133 0.000 -1.024) 1.032 9.717 ( -0.822 0.000 -0.683) 1.068 9.722 ( 0.437 0.000 -2.036) 2.082 9.725 ( -0.282 0.000 -1.939) 1.960 10.441 ( 0.010 0.000 0.178) 0.179 10.452 ( -0.202 0.000 -0.369) 0.421 10.469 ( 0.090 0.000 0.362) 0.373 10.482 ( -0.192 0.000 -0.392) 0.436 11.068 ( -2.034 0.000 5.341) 5.716 11.086 ( -2.160 0.000 4.817) 5.279 11.097 ( -2.107 0.000 7.082) 7.389 11.127 ( -1.896 0.000 6.330) 6.608 ======================= Grid point 77 (45/84) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 1.747 0.000 -2.027) 2.676 0.760 ( -4.887 0.000 8.522) 9.823 0.815 ( 4.092 0.000 0.369) 4.109 0.823 ( -5.699 0.000 3.629) 6.757 0.898 ( 0.422 0.000 -1.276) 1.343 0.913 ( -7.212 0.000 5.844) 9.283 0.984 ( 1.347 0.000 -1.823) 2.267 1.023 ( 0.205 0.000 -1.013) 1.033 1.138 ( 1.229 0.000 7.740) 7.837 1.161 ( -1.490 0.000 -1.189) 1.906 1.203 ( -0.146 0.000 0.143) 0.205 1.325 ( 3.434 0.000 2.873) 4.477 1.337 ( -1.517 0.000 1.458) 2.104 1.365 ( -1.627 0.000 5.727) 5.953 1.421 ( -1.669 0.000 0.172) 1.678 1.489 ( -0.745 0.000 6.237) 6.281 1.757 ( 1.029 0.000 5.015) 5.120 1.806 ( -0.290 0.000 0.564) 0.634 1.824 ( -0.483 0.000 4.080) 4.109 1.843 ( -0.523 0.000 -2.474) 2.529 1.860 ( 0.922 0.000 1.769) 1.995 1.878 ( 0.600 0.000 0.292) 0.667 1.942 ( -0.279 0.000 2.335) 2.352 1.946 ( -0.732 0.000 -1.783) 1.927 2.041 ( -0.310 0.000 -1.776) 1.803 2.077 ( -2.118 0.000 -3.712) 4.274 2.084 ( -0.320 0.000 -1.229) 1.270 2.108 ( -1.666 0.000 -4.099) 4.424 3.144 ( -1.179 0.000 3.432) 3.629 3.182 ( -2.127 0.000 3.440) 4.044 3.263 ( 1.698 0.000 1.674) 2.385 3.309 ( 0.399 0.000 1.484) 1.536 3.477 ( 2.867 0.000 -1.034) 3.048 3.485 ( 3.701 0.000 0.053) 3.701 3.510 ( 3.243 0.000 -0.093) 3.244 3.524 ( 1.392 0.000 -0.916) 1.666 3.577 ( -2.852 0.000 -0.557) 2.905 3.604 ( -1.760 0.000 0.204) 1.772 3.638 ( -2.706 0.000 -0.759) 2.810 3.640 ( -2.951 0.000 -1.864) 3.491 3.788 ( -1.246 0.000 -0.460) 1.328 3.832 ( -0.623 0.000 -0.489) 0.792 3.838 ( -1.772 0.000 -0.622) 1.878 3.884 ( -1.216 0.000 -0.725) 1.416 5.479 ( -0.619 0.000 -0.112) 0.629 5.483 ( -1.065 0.000 0.143) 1.075 5.518 ( -0.564 0.000 1.654) 1.747 5.536 ( 0.102 0.000 0.869) 0.875 5.672 ( -0.520 0.000 2.188) 2.249 5.681 ( -0.202 0.000 1.791) 1.803 5.683 ( 0.116 0.000 1.091) 1.097 5.712 ( 0.661 0.000 0.912) 1.126 6.839 ( 0.064 0.000 -0.162) 0.174 6.852 ( 0.220 0.000 -0.041) 0.224 6.896 ( 0.451 0.000 -0.968) 1.068 6.905 ( 0.729 0.000 -0.739) 1.038 7.083 ( -0.484 0.000 -0.406) 0.632 7.084 ( -0.362 0.000 -0.293) 0.466 7.101 ( -0.354 0.000 -0.232) 0.423 7.110 ( -0.136 0.000 -0.190) 0.234 8.221 ( -0.341 0.000 0.115) 0.359 8.295 ( -0.930 0.000 0.934) 1.318 8.307 ( 1.713 0.000 -1.299) 2.150 8.377 ( 1.131 0.000 -0.515) 1.243 8.763 ( -1.537 0.000 3.689) 3.997 8.813 ( -1.549 0.000 4.962) 5.198 8.829 ( -1.292 0.000 2.387) 2.714 8.881 ( -0.718 0.000 3.873) 3.939 9.621 ( 2.511 0.000 -0.710) 2.609 9.646 ( 2.268 0.000 -1.125) 2.532 9.651 ( 1.924 0.000 -0.753) 2.067 9.662 ( 1.700 0.000 -1.670) 2.383 9.682 ( -1.287 0.000 -1.533) 2.002 9.691 ( -0.794 0.000 -3.309) 3.403 9.696 ( -0.508 0.000 -1.806) 1.876 9.705 ( -0.005 0.000 -3.572) 3.572 10.436 ( -0.389 0.000 -0.074) 0.396 10.459 ( 0.557 0.000 0.553) 0.785 10.468 ( -0.156 0.000 -0.279) 0.319 10.487 ( 0.637 0.000 0.296) 0.703 11.063 ( -2.811 0.000 5.154) 5.871 11.079 ( -2.568 0.000 4.608) 5.275 11.115 ( -1.924 0.000 6.539) 6.816 11.139 ( -1.941 0.000 5.824) 6.139 ======================= Grid point 78 (46/84) ======================= q-point: (-0.62 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -3.550 0.000 -0.193) 3.556 0.732 ( -4.946 0.000 6.070) 7.830 0.763 ( -2.489 0.000 2.957) 3.865 0.801 ( -2.917 0.000 -0.712) 3.002 0.913 ( 1.557 0.000 -0.436) 1.617 0.951 ( 3.229 0.000 4.336) 5.407 0.976 ( -0.089 0.000 -1.061) 1.065 1.003 ( 1.687 0.000 -1.593) 2.320 1.134 ( -0.689 0.000 0.008) 0.689 1.168 ( -0.395 0.000 2.890) 2.917 1.214 ( -4.462 0.000 3.453) 5.642 1.343 ( -0.586 0.000 3.835) 3.879 1.376 ( -1.864 0.000 -0.033) 1.864 1.387 ( 2.271 0.000 3.582) 4.241 1.445 ( 3.206 0.000 3.529) 4.768 1.494 ( -1.553 0.000 3.578) 3.900 1.798 ( -0.921 0.000 2.367) 2.540 1.815 ( -0.484 0.000 -0.592) 0.765 1.822 ( 0.180 0.000 3.955) 3.960 1.836 ( -1.512 0.000 1.182) 1.919 1.872 ( -1.482 0.000 0.673) 1.628 1.890 ( 0.731 0.000 1.577) 1.738 1.923 ( -2.212 0.000 -0.573) 2.285 1.936 ( 1.085 0.000 -1.157) 1.586 2.021 ( -0.443 0.000 -0.924) 1.025 2.039 ( 1.135 0.000 -2.258) 2.527 2.078 ( -0.387 0.000 0.113) 0.403 2.099 ( 2.410 0.000 -0.860) 2.559 3.152 ( -1.103 0.000 3.883) 4.036 3.171 ( -2.015 0.000 3.674) 4.191 3.289 ( -0.374 0.000 0.822) 0.903 3.307 ( -1.593 0.000 0.517) 1.675 3.505 ( -1.409 0.000 -0.943) 1.696 3.512 ( -1.343 0.000 -2.040) 2.443 3.533 ( 1.624 0.000 -1.075) 1.948 3.564 ( 0.932 0.000 -0.052) 0.934 3.566 ( -3.528 0.000 -1.876) 3.995 3.574 ( 3.035 0.000 1.000) 3.196 3.590 ( 1.067 0.000 -0.519) 1.187 3.605 ( 2.114 0.000 1.406) 2.539 3.780 ( 0.551 0.000 0.197) 0.585 3.810 ( -0.799 0.000 0.129) 0.809 3.830 ( 0.716 0.000 -0.097) 0.723 3.860 ( -0.773 0.000 -0.177) 0.793 5.470 ( -0.598 0.000 0.767) 0.973 5.471 ( -0.108 0.000 -0.188) 0.217 5.517 ( -0.849 0.000 1.641) 1.848 5.537 ( -0.573 0.000 0.659) 0.873 5.677 ( -0.707 0.000 1.945) 2.070 5.687 ( -0.488 0.000 0.922) 1.043 5.687 ( -0.494 0.000 1.200) 1.298 5.720 ( -0.272 0.000 0.163) 0.317 6.843 ( 0.401 0.000 0.001) 0.401 6.857 ( 0.352 0.000 0.086) 0.362 6.898 ( 0.478 0.000 -0.872) 0.995 6.911 ( 0.537 0.000 -0.692) 0.876 7.074 ( -0.199 0.000 -0.299) 0.360 7.076 ( -0.186 0.000 -0.306) 0.358 7.095 ( -0.101 0.000 -0.048) 0.111 7.108 ( 0.114 0.000 -0.202) 0.232 8.220 ( 0.128 0.000 0.356) 0.379 8.288 ( -0.664 0.000 0.880) 1.102 8.316 ( 0.470 0.000 -1.619) 1.686 8.380 ( -0.022 0.000 -1.346) 1.347 8.749 ( -2.685 0.000 3.459) 4.379 8.818 ( -1.702 0.000 2.200) 2.782 8.840 ( -0.456 0.000 5.654) 5.672 8.910 ( 0.088 0.000 4.262) 4.263 9.639 ( -1.556 0.000 -1.194) 1.961 9.640 ( -1.555 0.000 -1.841) 2.410 9.657 ( -0.713 0.000 -1.902) 2.031 9.665 ( 2.410 0.000 -1.162) 2.676 9.668 ( -0.436 0.000 -1.600) 1.659 9.687 ( 2.471 0.000 -2.829) 3.756 9.689 ( 1.627 0.000 -1.204) 2.024 9.695 ( 3.101 0.000 -3.270) 4.507 10.428 ( -0.501 0.000 -0.059) 0.504 10.461 ( -0.272 0.000 -0.472) 0.545 10.474 ( 0.541 0.000 0.659) 0.853 10.503 ( 0.701 0.000 0.391) 0.803 11.047 ( -3.179 0.000 5.054) 5.970 11.065 ( -2.792 0.000 4.528) 5.320 11.125 ( -2.359 0.000 6.058) 6.501 11.145 ( -2.275 0.000 5.442) 5.899 ======================= Grid point 79 (47/84) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -4.806 0.000 3.612) 6.012 0.695 ( -3.336 0.000 5.639) 6.552 0.731 ( -3.184 0.000 -2.115) 3.822 0.772 ( 0.104 0.000 3.137) 3.139 0.937 ( 1.354 0.000 -0.816) 1.581 0.972 ( -0.183 0.000 1.053) 1.068 1.025 ( 3.281 0.000 0.956) 3.418 1.047 ( 1.941 0.000 -3.193) 3.737 1.126 ( -7.137 0.000 4.603) 8.493 1.159 ( 1.354 0.000 5.763) 5.920 1.203 ( 0.464 0.000 5.275) 5.296 1.325 ( -2.490 0.000 0.690) 2.584 1.352 ( -1.036 0.000 1.381) 1.726 1.409 ( -5.005 0.000 0.539) 5.034 1.464 ( 0.795 0.000 2.827) 2.937 1.542 ( -0.170 0.000 1.289) 1.300 1.776 ( -2.409 0.000 0.337) 2.433 1.778 ( -2.172 0.000 1.770) 2.802 1.832 ( -1.389 0.000 2.234) 2.631 1.833 ( -1.393 0.000 0.054) 1.394 1.845 ( -2.866 0.000 2.025) 3.509 1.893 ( -0.240 0.000 2.506) 2.517 1.910 ( 1.474 0.000 -1.083) 1.829 1.967 ( 1.860 0.000 2.063) 2.778 2.018 ( 0.887 0.000 0.241) 0.919 2.082 ( 2.671 0.000 -0.089) 2.672 2.082 ( 2.791 0.000 -0.124) 2.794 2.161 ( 4.212 0.000 -0.242) 4.219 3.163 ( -0.771 0.000 3.428) 3.513 3.169 ( -1.057 0.000 3.321) 3.486 3.274 ( -0.878 0.000 0.131) 0.888 3.276 ( -1.412 0.000 0.077) 1.414 3.454 ( -1.864 0.000 -2.762) 3.333 3.470 ( -0.750 0.000 -2.162) 2.289 3.499 ( -1.639 0.000 -2.302) 2.826 3.509 ( -0.431 0.000 -2.185) 2.227 3.619 ( 1.103 0.000 1.097) 1.556 3.619 ( 2.427 0.000 0.794) 2.553 3.642 ( 2.333 0.000 1.713) 2.894 3.651 ( 0.939 0.000 1.523) 1.790 3.799 ( 1.019 0.000 0.520) 1.144 3.819 ( 1.452 0.000 0.215) 1.467 3.847 ( 1.029 0.000 -0.305) 1.073 3.862 ( 1.114 0.000 -0.352) 1.169 5.472 ( 0.087 0.000 0.964) 0.968 5.475 ( 0.487 0.000 0.176) 0.517 5.511 ( -1.068 0.000 1.077) 1.517 5.526 ( -0.969 0.000 -0.019) 0.969 5.674 ( -1.252 0.000 1.946) 2.314 5.678 ( -1.267 0.000 1.174) 1.727 5.684 ( -0.870 0.000 1.334) 1.592 5.707 ( -1.152 0.000 0.082) 1.155 6.851 ( 0.439 0.000 0.048) 0.441 6.865 ( 0.358 0.000 0.140) 0.384 6.899 ( 0.380 0.000 -0.857) 0.938 6.913 ( 0.324 0.000 -0.739) 0.806 7.073 ( 0.362 0.000 -0.273) 0.453 7.074 ( 0.222 0.000 -0.304) 0.376 7.097 ( 0.287 0.000 -0.002) 0.287 7.111 ( 0.309 0.000 -0.214) 0.376 8.230 ( 0.329 0.000 1.040) 1.091 8.283 ( -0.764 0.000 1.053) 1.301 8.301 ( -0.633 0.000 -1.728) 1.841 8.355 ( -1.195 0.000 -1.994) 2.325 8.726 ( -2.693 0.000 3.708) 4.583 8.804 ( -1.762 0.000 2.570) 3.116 8.874 ( -0.456 0.000 4.992) 5.013 8.942 ( -0.153 0.000 3.998) 4.001 9.601 ( -1.061 0.000 -1.797) 2.087 9.604 ( -0.335 0.000 -2.612) 2.633 9.626 ( -0.456 0.000 -2.633) 2.672 9.649 ( 0.624 0.000 -2.959) 3.024 9.697 ( 1.480 0.000 -0.493) 1.560 9.707 ( 1.457 0.000 -1.698) 2.238 9.708 ( 0.941 0.000 -0.534) 1.082 9.728 ( 2.301 0.000 -1.967) 3.027 10.418 ( -0.342 0.000 -0.125) 0.364 10.453 ( -0.172 0.000 -0.397) 0.432 10.487 ( 0.427 0.000 0.428) 0.604 10.516 ( 0.482 0.000 0.286) 0.561 11.028 ( -3.201 0.000 5.213) 6.117 11.050 ( -2.716 0.000 4.735) 5.458 11.123 ( -2.851 0.000 5.834) 6.493 11.141 ( -2.651 0.000 5.345) 5.966 ======================= Grid point 80 (48/84) ======================= q-point: (-0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -3.077 0.000 4.452) 5.412 0.668 ( -2.383 0.000 -1.032) 2.597 0.686 ( -3.167 0.000 5.496) 6.343 0.802 ( 0.431 0.000 2.854) 2.886 0.926 ( -2.012 0.000 0.881) 2.196 1.001 ( 0.900 0.000 2.794) 2.936 1.007 ( -3.718 0.000 -1.677) 4.079 1.062 ( -4.472 0.000 7.825) 9.013 1.063 ( -0.644 0.000 0.721) 0.967 1.211 ( -1.905 0.000 3.049) 3.596 1.242 ( -1.003 0.000 4.768) 4.872 1.277 ( -3.074 0.000 0.393) 3.099 1.340 ( -2.309 0.000 2.418) 3.343 1.359 ( 0.672 0.000 2.397) 2.490 1.437 ( -4.517 0.000 1.556) 4.778 1.486 ( -5.710 0.000 3.016) 6.458 1.751 ( -1.057 0.000 0.220) 1.080 1.758 ( -1.817 0.000 1.108) 2.128 1.787 ( -2.143 0.000 0.256) 2.159 1.819 ( -0.771 0.000 0.378) 0.859 1.828 ( -0.838 0.000 1.970) 2.140 1.932 ( 2.133 0.000 -1.101) 2.400 1.934 ( 0.987 0.000 3.266) 3.412 2.007 ( 1.145 0.000 0.927) 1.473 2.078 ( 3.992 0.000 2.191) 4.553 2.121 ( 2.077 0.000 0.193) 2.086 2.168 ( 5.350 0.000 -0.479) 5.371 2.230 ( 3.922 0.000 -1.579) 4.228 3.179 ( -0.098 0.000 2.950) 2.952 3.185 ( 0.078 0.000 2.878) 2.879 3.272 ( 0.737 0.000 0.559) 0.925 3.279 ( 1.068 0.000 0.495) 1.177 3.424 ( 0.721 0.000 -1.645) 1.796 3.457 ( 1.307 0.000 -1.760) 2.192 3.477 ( 1.020 0.000 -1.968) 2.217 3.499 ( 1.032 0.000 -1.636) 1.935 3.614 ( -1.815 0.000 0.307) 1.841 3.653 ( 0.336 0.000 -0.113) 0.354 3.658 ( -0.947 0.000 0.787) 1.232 3.675 ( -0.064 0.000 0.757) 0.760 3.826 ( 1.479 0.000 0.175) 1.489 3.849 ( 1.706 0.000 -0.226) 1.721 3.856 ( 0.368 0.000 -1.033) 1.097 3.876 ( 0.751 0.000 -1.219) 1.431 5.484 ( 0.399 0.000 0.835) 0.925 5.492 ( 0.972 0.000 0.616) 1.150 5.494 ( -1.253 0.000 0.152) 1.262 5.504 ( -1.094 0.000 -0.478) 1.194 5.663 ( -1.721 0.000 2.265) 2.844 5.663 ( -1.543 0.000 1.929) 2.470 5.678 ( -1.059 0.000 1.687) 1.992 5.686 ( -1.339 0.000 0.702) 1.512 6.858 ( 0.208 0.000 -0.045) 0.213 6.871 ( 0.185 0.000 0.075) 0.200 6.898 ( 0.243 0.000 -0.923) 0.955 6.912 ( 0.231 0.000 -0.837) 0.869 7.080 ( 0.577 0.000 -0.307) 0.654 7.082 ( 0.864 0.000 -0.335) 0.927 7.104 ( 0.578 0.000 -0.117) 0.590 7.115 ( 0.328 0.000 -0.230) 0.401 8.247 ( 0.356 0.000 1.756) 1.792 8.269 ( -1.258 0.000 -1.747) 2.153 8.275 ( -1.206 0.000 1.450) 1.886 8.312 ( -1.611 0.000 -1.920) 2.506 8.711 ( -2.058 0.000 3.797) 4.319 8.794 ( -1.724 0.000 3.071) 3.522 8.898 ( -0.635 0.000 3.772) 3.825 8.962 ( -0.875 0.000 3.394) 3.505 9.575 ( -0.349 0.000 -1.697) 1.733 9.591 ( 1.086 0.000 -2.674) 2.886 9.602 ( -0.162 0.000 -2.235) 2.241 9.646 ( 1.448 0.000 -2.998) 3.329 9.704 ( -0.016 0.000 -0.729) 0.729 9.710 ( 0.325 0.000 -1.546) 1.579 9.721 ( 0.848 0.000 -0.246) 0.883 9.742 ( 0.721 0.000 -1.685) 1.833 10.416 ( 0.203 0.000 -0.099) 0.226 10.451 ( 0.162 0.000 -0.073) 0.177 10.496 ( 0.319 0.000 0.038) 0.321 10.524 ( 0.191 0.000 0.160) 0.249 11.015 ( -2.840 0.000 5.675) 6.346 11.043 ( -2.267 0.000 5.183) 5.657 11.113 ( -3.136 0.000 5.842) 6.631 11.132 ( -2.903 0.000 5.475) 6.197 ======================= Grid point 81 (49/84) ======================= q-point: (-0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -2.564 0.000 4.559) 5.231 0.621 ( -2.911 0.000 0.977) 3.071 0.656 ( -4.445 0.000 5.981) 7.452 0.827 ( -0.208 0.000 3.136) 3.143 0.903 ( -6.736 0.000 2.016) 7.031 0.908 ( -2.009 0.000 4.602) 5.021 1.012 ( -5.665 0.000 5.049) 7.588 1.019 ( -1.983 0.000 4.072) 4.529 1.076 ( -2.035 0.000 8.767) 9.000 1.192 ( 0.625 0.000 -0.863) 1.066 1.224 ( -2.837 0.000 1.032) 3.018 1.245 ( -0.694 0.000 1.780) 1.911 1.331 ( -1.294 0.000 0.704) 1.474 1.371 ( -5.112 0.000 4.447) 6.775 1.376 ( -4.483 0.000 5.054) 6.756 1.456 ( 0.189 0.000 5.909) 5.912 1.736 ( -0.442 0.000 0.199) 0.485 1.748 ( 0.578 0.000 0.712) 0.917 1.767 ( -0.966 0.000 0.444) 1.063 1.807 ( 0.035 0.000 -1.996) 1.996 1.833 ( -0.652 0.000 2.220) 2.314 1.957 ( -0.547 0.000 1.821) 1.902 1.961 ( 0.736 0.000 0.269) 0.784 2.032 ( 1.302 0.000 -0.062) 1.304 2.137 ( 1.444 0.000 -2.294) 2.710 2.165 ( 2.933 0.000 0.665) 3.007 2.253 ( 4.151 0.000 -2.023) 4.617 2.277 ( 3.550 0.000 -3.162) 4.754 3.197 ( -0.573 0.000 2.444) 2.510 3.208 ( -0.169 0.000 2.604) 2.609 3.295 ( 0.743 0.000 0.069) 0.746 3.300 ( 0.492 0.000 0.193) 0.529 3.456 ( 3.163 0.000 0.243) 3.172 3.498 ( 2.257 0.000 -0.165) 2.263 3.498 ( 3.303 0.000 -0.226) 3.310 3.529 ( 2.692 0.000 0.622) 2.763 3.564 ( -2.928 0.000 -1.264) 3.189 3.627 ( -2.142 0.000 -1.676) 2.720 3.638 ( -0.794 0.000 -1.080) 1.341 3.651 ( -2.041 0.000 -1.241) 2.389 3.847 ( -0.019 0.000 -1.495) 1.495 3.850 ( 1.293 0.000 -0.467) 1.375 3.871 ( 0.066 0.000 -1.364) 1.365 3.874 ( 1.211 0.000 -0.433) 1.286 5.473 ( -0.769 0.000 -0.290) 0.822 5.485 ( -0.580 0.000 -0.191) 0.610 5.498 ( 0.346 0.000 0.748) 0.824 5.514 ( 0.801 0.000 0.604) 1.003 5.651 ( -1.639 0.000 2.820) 3.261 5.653 ( -1.409 0.000 2.426) 2.805 5.672 ( -1.083 0.000 1.388) 1.760 5.672 ( -1.188 0.000 2.006) 2.332 6.858 ( -0.025 0.000 -0.181) 0.183 6.872 ( -0.104 0.000 -0.094) 0.140 6.894 ( 0.227 0.000 -1.021) 1.046 6.909 ( 0.217 0.000 -0.971) 0.995 7.089 ( 0.624 0.000 -0.314) 0.699 7.096 ( 0.911 0.000 -0.474) 1.027 7.114 ( 0.605 0.000 -0.340) 0.694 7.119 ( 0.229 0.000 -0.205) 0.307 8.234 ( -0.899 0.000 -1.659) 1.887 8.259 ( -1.101 0.000 1.459) 1.828 8.275 ( 0.347 0.000 2.282) 2.309 8.279 ( -0.656 0.000 -0.924) 1.133 8.710 ( -1.361 0.000 3.702) 3.945 8.790 ( -1.536 0.000 3.522) 3.843 8.907 ( -1.061 0.000 2.343) 2.572 8.962 ( -1.630 0.000 2.635) 3.098 9.560 ( -0.074 0.000 -1.243) 1.245 9.586 ( -0.065 0.000 -1.348) 1.349 9.599 ( 1.931 0.000 -2.550) 3.199 9.647 ( 0.929 0.000 -2.816) 2.966 9.696 ( 0.064 0.000 -0.951) 0.953 9.701 ( 0.233 0.000 -1.521) 1.539 9.733 ( 0.688 0.000 -0.461) 0.829 9.734 ( -0.113 0.000 -1.126) 1.132 10.423 ( 0.542 0.000 -0.034) 0.543 10.456 ( 0.231 0.000 0.291) 0.371 10.498 ( -0.038 0.000 -0.434) 0.435 10.524 ( -0.288 0.000 -0.029) 0.290 11.014 ( -2.224 0.000 6.217) 6.603 11.048 ( -1.666 0.000 5.575) 5.818 11.101 ( -3.152 0.000 6.003) 6.780 11.122 ( -2.924 0.000 5.700) 6.406 ======================= Grid point 82 (50/84) ======================= q-point: (-0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.084 0.000 2.186) 2.188 0.614 ( 0.707 0.000 8.254) 8.284 0.640 ( -2.799 0.000 7.932) 8.411 0.830 ( -4.394 0.000 4.327) 6.167 0.847 ( -0.743 0.000 4.665) 4.724 0.915 ( -2.383 0.000 6.248) 6.687 0.989 ( -2.183 0.000 7.316) 7.634 1.010 ( -1.753 0.000 4.100) 4.459 1.096 ( -2.681 0.000 7.071) 7.562 1.207 ( -0.016 0.000 0.951) 0.951 1.209 ( 1.138 0.000 0.361) 1.194 1.265 ( 1.290 0.000 1.702) 2.136 1.278 ( -5.019 0.000 4.157) 6.517 1.310 ( -6.061 0.000 6.688) 9.026 1.354 ( -1.251 0.000 1.586) 2.020 1.500 ( -0.425 0.000 3.889) 3.912 1.741 ( 0.225 0.000 0.226) 0.319 1.756 ( -0.389 0.000 0.580) 0.698 1.771 ( 0.321 0.000 0.947) 1.000 1.798 ( 0.904 0.000 -0.891) 1.269 1.834 ( -0.763 0.000 1.629) 1.799 1.945 ( -2.465 0.000 0.033) 2.465 1.951 ( -1.206 0.000 1.133) 1.655 2.052 ( 1.151 0.000 -1.285) 1.725 2.135 ( 0.932 0.000 -3.428) 3.553 2.194 ( 0.574 0.000 -1.908) 1.992 2.269 ( 1.210 0.000 -4.692) 4.845 2.312 ( 2.088 0.000 -3.638) 4.194 3.191 ( -1.823 0.000 1.928) 2.653 3.214 ( -1.243 0.000 2.472) 2.767 3.281 ( -1.612 0.000 -0.694) 1.755 3.301 ( -0.440 0.000 -0.352) 0.563 3.481 ( -2.191 0.000 -1.124) 2.462 3.514 ( -1.220 0.000 0.106) 1.225 3.544 ( 3.827 0.000 0.836) 3.917 3.548 ( -1.251 0.000 -2.672) 2.951 3.557 ( -1.824 0.000 -0.983) 2.072 3.594 ( 2.055 0.000 1.998) 2.866 3.625 ( 0.992 0.000 -2.059) 2.286 3.631 ( 2.995 0.000 -0.888) 3.124 3.844 ( 0.866 0.000 -1.215) 1.492 3.863 ( 0.602 0.000 -1.012) 1.178 3.869 ( 0.819 0.000 -0.669) 1.057 3.886 ( 0.586 0.000 -0.540) 0.797 5.468 ( 0.433 0.000 -0.004) 0.433 5.483 ( 0.347 0.000 0.344) 0.488 5.506 ( -0.017 0.000 0.435) 0.436 5.526 ( 0.031 0.000 0.409) 0.411 5.648 ( -1.224 0.000 3.162) 3.390 5.650 ( -1.038 0.000 2.661) 2.857 5.666 ( -1.205 0.000 2.239) 2.543 5.667 ( -0.807 0.000 1.762) 1.938 6.855 ( -0.123 0.000 -0.260) 0.287 6.866 ( -0.376 0.000 -0.281) 0.470 6.891 ( 0.364 0.000 -1.076) 1.135 6.905 ( 0.229 0.000 -1.099) 1.122 7.095 ( 0.352 0.000 -0.308) 0.467 7.105 ( 0.506 0.000 -0.608) 0.791 7.119 ( 0.348 0.000 -0.548) 0.650 7.120 ( 0.096 0.000 -0.138) 0.168 8.219 ( 0.588 0.000 -1.182) 1.320 8.248 ( -1.182 0.000 1.494) 1.905 8.278 ( 0.918 0.000 0.079) 0.922 8.300 ( 0.369 0.000 1.690) 1.730 8.716 ( -1.116 0.000 3.662) 3.829 8.792 ( -1.276 0.000 3.822) 4.029 8.894 ( -1.923 0.000 1.390) 2.373 8.945 ( -2.210 0.000 2.039) 3.006 9.555 ( 0.377 0.000 -0.839) 0.920 9.583 ( 0.646 0.000 -0.645) 0.913 9.613 ( 1.527 0.000 -2.857) 3.240 9.639 ( 0.805 0.000 -2.380) 2.513 9.694 ( 0.603 0.000 -1.005) 1.172 9.701 ( 0.957 0.000 -1.286) 1.603 9.730 ( 0.467 0.000 -0.592) 0.754 9.738 ( 0.296 0.000 -0.644) 0.709 10.432 ( 0.403 0.000 -0.021) 0.404 10.462 ( 0.017 0.000 0.485) 0.485 10.487 ( -0.560 0.000 -0.826) 0.998 10.513 ( -0.764 0.000 -0.289) 0.817 11.029 ( -1.612 0.000 6.487) 6.684 11.065 ( -1.363 0.000 5.644) 5.806 11.092 ( -3.001 0.000 6.273) 6.954 11.115 ( -2.742 0.000 5.971) 6.570 ======================= Grid point 83 (51/84) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 3.617 -3.171 2.617) 5.476 0.609 ( 3.617 3.171 2.617) 5.476 0.795 ( -2.078 -0.470 10.061) 10.284 0.795 ( -2.078 0.470 10.061) 10.284 0.917 ( 2.001 -1.653 3.054) 4.008 0.917 ( 2.001 1.653 3.054) 4.008 1.002 ( -3.302 -2.670 3.962) 5.808 1.002 ( -3.302 2.670 3.962) 5.808 1.137 ( -3.035 -3.911 7.411) 8.913 1.137 ( -3.035 3.911 7.411) 8.913 1.240 ( -0.425 -2.155 1.290) 2.547 1.240 ( -0.425 2.155 1.290) 2.547 1.278 ( 0.718 -0.282 2.104) 2.241 1.278 ( 0.718 0.282 2.104) 2.241 1.446 ( -1.401 -4.228 3.456) 5.638 1.446 ( -1.401 4.228 3.456) 5.638 1.752 ( -0.942 -1.386 1.680) 2.373 1.752 ( -0.942 1.386 1.680) 2.373 1.787 ( -0.000 -1.175 0.903) 1.482 1.787 ( -0.000 1.175 0.903) 1.482 1.868 ( 0.217 -1.364 1.046) 1.733 1.868 ( 0.217 1.364 1.046) 1.733 2.007 ( -1.673 -3.109 -1.429) 3.809 2.007 ( -1.673 3.109 -1.429) 3.809 2.122 ( -0.748 -1.182 -3.547) 3.813 2.122 ( -0.748 1.182 -3.547) 3.813 2.268 ( -1.250 -1.264 -4.981) 5.289 2.268 ( -1.250 1.264 -4.981) 5.289 3.183 ( -2.156 -1.157 1.982) 3.149 3.183 ( -2.156 1.157 1.982) 3.149 3.266 ( -0.981 -1.386 0.019) 1.698 3.266 ( -0.981 1.386 0.019) 1.698 3.458 ( -0.867 -1.419 -2.291) 2.831 3.458 ( -0.867 1.419 -2.291) 2.831 3.502 ( -1.044 -0.669 -2.376) 2.680 3.502 ( -1.044 0.669 -2.376) 2.680 3.619 ( 1.145 -0.781 1.441) 1.999 3.619 ( 1.145 0.781 1.441) 1.999 3.672 ( 1.641 -0.948 0.450) 1.948 3.672 ( 1.641 0.948 0.450) 1.948 3.852 ( 0.020 -0.033 -1.124) 1.125 3.852 ( 0.020 0.033 -1.124) 1.125 3.889 ( 0.787 -0.057 -0.576) 0.977 3.889 ( 0.787 0.057 -0.576) 0.977 5.491 ( 0.976 -0.268 0.454) 1.109 5.491 ( 0.976 0.268 0.454) 1.109 5.515 ( -0.545 -0.477 0.248) 0.766 5.515 ( -0.545 0.477 0.248) 0.766 5.655 ( -0.713 -0.104 2.903) 2.991 5.655 ( -0.713 0.104 2.903) 2.991 5.667 ( -0.563 -0.172 2.067) 2.149 5.667 ( -0.563 0.172 2.067) 2.149 6.853 ( -0.252 -0.149 -0.308) 0.425 6.853 ( -0.252 0.149 -0.308) 0.425 6.896 ( 0.389 -0.279 -1.093) 1.194 6.896 ( 0.389 0.279 -1.093) 1.194 7.101 ( -0.008 -0.261 -0.401) 0.479 7.101 ( -0.008 0.261 -0.401) 0.479 7.118 ( -0.065 -0.051 -0.412) 0.420 7.118 ( -0.065 0.051 -0.412) 0.420 8.240 ( 0.562 -0.040 0.058) 0.566 8.240 ( 0.562 0.040 0.058) 0.566 8.306 ( 0.750 -0.053 1.064) 1.303 8.306 ( 0.750 0.053 1.064) 1.303 8.757 ( -1.030 -2.163 3.875) 4.556 8.757 ( -1.030 2.163 3.875) 4.556 8.897 ( -2.500 -1.479 1.830) 3.433 8.897 ( -2.500 1.479 1.830) 3.433 9.575 ( 1.311 -0.914 -1.027) 1.899 9.575 ( 1.311 0.914 -1.027) 1.899 9.632 ( 1.326 -0.753 -2.586) 3.002 9.632 ( 1.326 0.753 -2.586) 3.002 9.708 ( 1.036 -0.442 -1.007) 1.511 9.708 ( 1.036 0.442 -1.007) 1.511 9.734 ( 0.150 -0.080 -0.741) 0.760 9.734 ( 0.150 0.080 -0.741) 0.760 10.446 ( 0.009 -0.642 0.007) 0.642 10.446 ( 0.009 0.642 0.007) 0.642 10.487 ( -0.689 -0.645 -0.415) 1.031 10.487 ( -0.689 0.645 -0.415) 1.031 11.063 ( -1.568 -0.756 5.938) 6.188 11.063 ( -1.568 0.756 5.938) 6.188 11.107 ( -2.450 -0.656 6.288) 6.780 11.107 ( -2.450 0.656 6.288) 6.780 ======================= Grid point 85 (52/84) ======================= q-point: ( 0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 2.557 -3.408 -0.041) 4.261 0.682 ( 2.557 3.408 -0.041) 4.261 0.835 ( -1.705 -3.740 9.653) 10.492 0.835 ( -1.705 3.740 9.653) 10.492 0.945 ( -1.516 -0.966 2.043) 2.722 0.945 ( -1.516 0.966 2.043) 2.722 0.969 ( -1.403 -2.975 0.636) 3.351 0.969 ( -1.403 2.975 0.636) 3.351 1.163 ( -1.844 -3.388 5.784) 6.952 1.163 ( -1.844 3.388 5.784) 6.952 1.221 ( -0.258 -0.680 -0.036) 0.729 1.221 ( -0.258 0.680 -0.036) 0.729 1.344 ( 2.938 -1.456 3.400) 4.724 1.344 ( 2.938 1.456 3.400) 4.724 1.437 ( -2.348 -3.600 3.635) 5.629 1.437 ( -2.348 3.600 3.635) 5.629 1.751 ( -0.990 -2.045 2.998) 3.761 1.751 ( -0.990 2.045 2.998) 3.761 1.815 ( 1.612 -0.661 2.389) 2.957 1.815 ( 1.612 0.661 2.389) 2.957 1.875 ( -0.335 -0.968 0.073) 1.027 1.875 ( -0.335 0.968 0.073) 1.027 1.964 ( -1.460 -2.263 -0.757) 2.797 1.964 ( -1.460 2.263 -0.757) 2.797 2.076 ( -1.071 -1.378 -3.109) 3.566 2.076 ( -1.071 1.378 -3.109) 3.566 2.187 ( -2.928 -0.899 -5.059) 5.914 2.187 ( -2.928 0.899 -5.059) 5.914 3.164 ( -1.626 -1.324 2.447) 3.223 3.164 ( -1.626 1.324 2.447) 3.223 3.263 ( 0.303 -1.718 1.090) 2.057 3.263 ( 0.303 1.718 1.090) 2.057 3.446 ( 1.479 -0.787 -1.552) 2.284 3.446 ( 1.479 0.787 -1.552) 2.284 3.488 ( 1.151 -1.197 -1.829) 2.470 3.488 ( 1.151 1.197 -1.829) 2.470 3.628 ( -1.319 -0.250 0.977) 1.660 3.628 ( -1.319 0.250 0.977) 1.660 3.679 ( -0.951 -0.786 -0.278) 1.265 3.679 ( -0.951 0.786 -0.278) 1.265 3.832 ( -1.199 -0.735 -0.992) 1.722 3.832 ( -1.199 0.735 -0.992) 1.722 3.891 ( -0.210 -0.827 -0.823) 1.186 3.891 ( -0.210 0.827 -0.823) 1.186 5.497 ( -0.750 -0.323 -0.048) 0.818 5.497 ( -0.750 0.323 -0.048) 0.818 5.516 ( 0.400 -0.247 0.950) 1.060 5.516 ( 0.400 0.247 0.950) 1.060 5.665 ( -0.575 -0.102 2.420) 2.489 5.665 ( -0.575 0.102 2.420) 2.489 5.681 ( 0.374 -0.442 1.822) 1.912 5.681 ( 0.374 0.442 1.822) 1.912 6.847 ( -0.140 -0.215 -0.254) 0.361 6.847 ( -0.140 0.215 -0.254) 0.361 6.897 ( 0.554 -0.074 -0.978) 1.127 6.897 ( 0.554 0.074 -0.978) 1.127 7.094 ( -0.343 -0.105 -0.404) 0.540 7.094 ( -0.343 0.105 -0.404) 0.540 7.112 ( -0.264 -0.167 -0.309) 0.439 7.112 ( -0.264 0.167 -0.309) 0.439 8.247 ( -0.001 -1.302 0.152) 1.311 8.247 ( -0.001 1.302 0.152) 1.311 8.332 ( 1.392 -1.196 0.342) 1.867 8.332 ( 1.392 1.196 0.342) 1.867 8.771 ( -0.950 -1.794 4.129) 4.601 8.771 ( -0.950 1.794 4.129) 4.601 8.869 ( -2.182 -1.355 2.502) 3.585 8.869 ( -2.182 1.355 2.502) 3.585 9.597 ( 2.045 -0.829 -1.202) 2.513 9.597 ( 2.045 0.829 -1.202) 2.513 9.641 ( 1.754 -0.564 -2.310) 2.954 9.641 ( 1.754 0.564 -2.310) 2.954 9.710 ( -0.063 -0.377 -1.107) 1.171 9.710 ( -0.063 0.377 -1.107) 1.171 9.725 ( -0.201 -0.078 -1.780) 1.793 9.725 ( -0.201 0.078 -1.780) 1.793 10.445 ( -0.038 -0.309 0.032) 0.313 10.445 ( -0.038 0.309 0.032) 0.313 10.477 ( -0.109 -0.395 -0.140) 0.433 10.477 ( -0.109 0.395 -0.140) 0.433 11.073 ( -2.123 -0.456 5.384) 5.806 11.073 ( -2.123 0.456 5.384) 5.806 11.116 ( -1.976 -0.798 6.398) 6.743 11.116 ( -1.976 0.798 6.398) 6.743 ======================= Grid point 87 (53/84) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 1.138 -3.505 -0.479) 3.716 0.714 ( 1.138 3.505 -0.479) 3.716 0.834 ( -4.095 -2.625 6.410) 8.047 0.834 ( -4.095 2.625 6.410) 8.047 0.908 ( -3.947 -1.834 1.873) 4.738 0.908 ( -3.947 1.834 1.873) 4.738 0.991 ( 2.620 -1.573 -1.108) 3.250 0.991 ( 2.620 1.573 -1.108) 3.250 1.151 ( -1.975 -0.484 1.557) 2.562 1.151 ( -1.975 0.484 1.557) 2.562 1.240 ( 1.731 -3.733 2.814) 4.985 1.240 ( 1.731 3.733 2.814) 4.985 1.380 ( -0.971 -2.045 1.196) 2.560 1.380 ( -0.971 2.045 1.196) 2.560 1.448 ( -0.785 -2.727 5.438) 6.134 1.448 ( -0.785 2.727 5.438) 6.134 1.779 ( 0.977 -1.388 3.844) 4.202 1.779 ( 0.977 1.388 3.844) 4.202 1.849 ( -0.269 -0.823 1.538) 1.765 1.849 ( -0.269 0.823 1.538) 1.765 1.858 ( -0.138 -1.312 -1.209) 1.790 1.858 ( -0.138 1.312 -1.209) 1.790 1.951 ( -0.505 -0.236 0.545) 0.779 1.951 ( -0.505 0.236 0.545) 0.779 2.046 ( -0.332 -0.812 -1.804) 2.006 2.046 ( -0.332 0.812 -1.804) 2.006 2.104 ( -1.758 -0.441 -3.542) 3.979 2.104 ( -1.758 0.441 -3.542) 3.979 3.160 ( -1.442 -1.126 3.385) 3.848 3.160 ( -1.442 1.126 3.385) 3.848 3.289 ( 0.884 -1.370 1.614) 2.294 3.289 ( 0.884 1.370 1.614) 2.294 3.487 ( 3.440 -0.329 -0.546) 3.499 3.487 ( 3.440 0.329 -0.546) 3.499 3.510 ( 2.045 -0.556 -0.374) 2.152 3.510 ( 2.045 0.556 -0.374) 2.152 3.591 ( -2.441 -0.840 -0.358) 2.606 3.591 ( -2.441 0.840 -0.358) 2.606 3.640 ( -2.601 -0.074 -1.185) 2.859 3.640 ( -2.601 0.074 -1.185) 2.859 3.801 ( -1.237 -1.033 -0.457) 1.675 3.801 ( -1.237 1.033 -0.457) 1.675 3.870 ( -1.214 -1.105 -0.696) 1.783 3.870 ( -1.214 1.105 -0.696) 1.783 5.481 ( -0.864 -0.120 0.085) 0.876 5.481 ( -0.864 0.120 0.085) 0.876 5.526 ( -0.215 -0.572 1.183) 1.332 5.526 ( -0.215 0.572 1.183) 1.332 5.673 ( -0.442 -0.126 1.988) 2.040 5.673 ( -0.442 0.126 1.988) 2.040 5.701 ( 0.475 -0.757 1.012) 1.349 5.701 ( 0.475 0.757 1.012) 1.349 6.845 ( 0.127 -0.390 -0.127) 0.429 6.845 ( 0.127 0.390 -0.127) 0.429 6.901 ( 0.606 -0.261 -0.829) 1.059 6.901 ( 0.606 0.261 -0.829) 1.059 7.084 ( -0.452 -0.030 -0.344) 0.569 7.084 ( -0.452 0.030 -0.344) 0.569 7.105 ( -0.218 -0.298 -0.214) 0.427 7.105 ( -0.218 0.298 -0.214) 0.427 8.245 ( -0.218 -1.810 0.090) 1.826 8.245 ( -0.218 1.810 0.090) 1.826 8.355 ( 1.022 -1.642 -0.467) 1.990 8.355 ( 1.022 1.642 -0.467) 1.990 8.779 ( -1.628 -1.232 3.775) 4.291 8.779 ( -1.628 1.232 3.775) 4.291 8.864 ( -0.936 -1.305 3.678) 4.013 8.864 ( -0.936 1.305 3.678) 4.013 9.630 ( 2.411 -0.658 -0.809) 2.626 9.630 ( 2.411 0.658 -0.809) 2.626 9.660 ( 1.748 -0.219 -1.230) 2.149 9.660 ( 1.748 0.219 -1.230) 2.149 9.687 ( -0.977 -0.311 -1.937) 2.192 9.687 ( -0.977 0.311 -1.937) 2.192 9.700 ( -0.277 -0.311 -3.266) 3.292 9.700 ( -0.277 0.311 -3.266) 3.292 10.444 ( -0.142 -0.606 0.044) 0.624 10.444 ( -0.142 0.606 0.044) 0.624 10.481 ( 0.467 -0.476 0.207) 0.698 10.481 ( 0.467 0.476 0.207) 0.698 11.069 ( -2.685 -0.470 5.024) 5.716 11.069 ( -2.685 0.470 5.024) 5.716 11.129 ( -1.936 -0.731 6.038) 6.383 11.129 ( -1.936 0.731 6.038) 6.383 ======================= Grid point 89 (54/84) ======================= q-point: (-0.62 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -4.335 -2.541 0.810) 5.089 0.685 ( -4.335 2.541 0.810) 5.089 0.815 ( -2.846 -2.495 3.512) 5.163 0.815 ( -2.846 2.495 3.512) 5.163 0.888 ( 1.641 -1.851 0.923) 2.640 0.888 ( 1.641 1.851 0.923) 2.640 1.020 ( 1.689 -0.386 -1.137) 2.072 1.020 ( 1.689 0.386 -1.137) 2.072 1.126 ( -1.540 -1.937 2.301) 3.379 1.126 ( -1.540 1.937 2.301) 3.379 1.284 ( -1.227 -3.836 2.618) 4.803 1.284 ( -1.227 3.836 2.618) 4.803 1.385 ( 0.085 -1.326 2.647) 2.962 1.385 ( 0.085 1.326 2.647) 2.962 1.475 ( 0.719 -1.410 3.454) 3.799 1.475 ( 0.719 1.410 3.454) 3.799 1.806 ( -1.050 -0.445 1.750) 2.089 1.806 ( -1.050 0.445 1.750) 2.089 1.842 ( -0.476 -1.230 -0.338) 1.361 1.842 ( -0.476 1.230 -0.338) 1.361 1.864 ( -0.467 -1.756 2.884) 3.408 1.864 ( -0.467 1.756 2.884) 3.408 1.940 ( -0.241 -0.138 -0.763) 0.812 1.940 ( -0.241 0.138 -0.763) 0.812 2.026 ( -0.145 -0.684 -1.203) 1.392 2.026 ( -0.145 0.684 -1.203) 1.392 2.088 ( 1.392 -0.699 -0.708) 1.711 2.088 ( 1.392 0.699 -0.708) 1.711 3.161 ( -1.491 -0.597 3.770) 4.098 3.161 ( -1.491 0.597 3.770) 4.098 3.299 ( -1.036 -0.576 0.667) 1.360 3.299 ( -1.036 0.576 0.667) 1.360 3.510 ( -1.656 -0.255 -1.604) 2.319 3.510 ( -1.656 0.255 -1.604) 2.319 3.540 ( 0.885 -0.635 -0.526) 1.210 3.540 ( 0.885 0.635 -0.526) 1.210 3.576 ( 0.399 -0.277 -0.796) 0.933 3.576 ( 0.399 0.277 -0.796) 0.933 3.599 ( 1.632 -0.530 0.888) 1.932 3.599 ( 1.632 0.530 0.888) 1.932 3.790 ( 0.180 -0.779 0.185) 0.821 3.790 ( 0.180 0.779 0.185) 0.821 3.849 ( -0.365 -0.786 -0.160) 0.881 3.849 ( -0.365 0.786 -0.160) 0.881 5.471 ( -0.381 -0.048 0.363) 0.528 5.471 ( -0.381 0.048 0.363) 0.528 5.527 ( -0.677 -0.619 1.068) 1.408 5.527 ( -0.677 0.619 1.068) 1.408 5.677 ( -0.674 -0.112 1.736) 1.866 5.677 ( -0.674 0.112 1.736) 1.866 5.709 ( -0.313 -0.821 0.386) 0.960 5.709 ( -0.313 0.821 0.386) 0.960 6.849 ( 0.380 -0.432 0.012) 0.576 6.849 ( 0.380 0.432 0.012) 0.576 6.905 ( 0.504 -0.402 -0.752) 0.991 6.905 ( 0.504 0.402 -0.752) 0.991 7.075 ( -0.211 -0.075 -0.273) 0.353 7.075 ( -0.211 0.075 -0.273) 0.353 7.102 ( 0.024 -0.408 -0.152) 0.436 7.102 ( 0.024 0.408 -0.152) 0.436 8.244 ( -0.029 -1.749 0.303) 1.776 8.244 ( -0.029 1.749 0.303) 1.776 8.358 ( -0.019 -1.641 -1.167) 2.013 8.358 ( -0.019 1.641 -1.167) 2.013 8.771 ( -2.204 -1.716 3.450) 4.438 8.771 ( -2.204 1.716 3.450) 4.438 8.887 ( -0.170 -1.744 4.338) 4.679 8.887 ( -0.170 1.744 4.338) 4.679 9.640 ( -1.526 -0.055 -1.292) 2.001 9.640 ( -1.526 0.055 -1.292) 2.001 9.663 ( -0.640 -0.348 -1.864) 2.002 9.663 ( -0.640 0.348 -1.864) 2.002 9.674 ( 2.270 -0.650 -1.850) 3.000 9.674 ( 2.270 0.650 -1.850) 3.000 9.693 ( 2.569 -0.198 -2.497) 3.588 9.693 ( 2.569 0.198 -2.497) 3.588 10.440 ( -0.341 -0.886 -0.099) 0.955 10.440 ( -0.341 0.886 -0.099) 0.955 10.493 ( 0.576 -0.724 0.360) 0.993 10.493 ( 0.576 0.724 0.360) 0.993 11.055 ( -2.999 -0.545 4.867) 5.743 11.055 ( -2.999 0.545 4.867) 5.743 11.136 ( -2.302 -0.606 5.673) 6.152 11.136 ( -2.302 0.606 5.673) 6.152 ======================= Grid point 91 (55/84) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -4.364 -2.664 2.702) 5.783 0.612 ( -4.364 2.664 2.702) 5.783 0.794 ( -1.810 -1.259 2.427) 3.279 0.794 ( -1.810 1.259 2.427) 3.279 0.941 ( 2.464 -1.482 -0.401) 2.904 0.941 ( 2.464 1.482 -0.401) 2.904 1.022 ( -0.615 -1.348 0.694) 1.636 1.022 ( -0.615 1.348 0.694) 1.636 1.146 ( -0.058 -3.065 4.320) 5.297 1.146 ( -0.058 3.065 4.320) 5.297 1.268 ( -1.643 -4.476 2.608) 5.435 1.268 ( -1.643 4.476 2.608) 5.435 1.374 ( -2.641 -1.313 1.382) 3.258 1.374 ( -2.641 1.313 1.382) 3.258 1.514 ( -0.569 -2.076 1.600) 2.683 1.514 ( -0.569 2.076 1.600) 2.683 1.776 ( -2.253 -0.443 0.773) 2.422 1.776 ( -2.253 0.443 0.773) 2.422 1.832 ( -1.248 -0.386 0.754) 1.508 1.832 ( -1.248 0.386 0.754) 1.508 1.866 ( -1.384 -0.822 2.285) 2.795 1.866 ( -1.384 0.822 2.285) 2.795 1.950 ( 1.334 -1.332 0.865) 2.074 1.950 ( 1.334 1.332 0.865) 2.074 2.031 ( 1.498 -1.472 0.267) 2.117 2.031 ( 1.498 1.472 0.267) 2.117 2.136 ( 3.904 -1.815 -0.201) 4.310 2.136 ( 3.904 1.815 -0.201) 4.310 3.165 ( -0.905 -0.172 3.368) 3.492 3.165 ( -0.905 0.172 3.368) 3.492 3.275 ( -1.144 -0.065 0.105) 1.150 3.275 ( -1.144 0.065 0.105) 1.150 3.461 ( -1.490 -0.510 -2.466) 2.926 3.461 ( -1.490 0.510 -2.466) 2.926 3.505 ( -0.853 -0.305 -2.221) 2.399 3.505 ( -0.853 0.305 -2.221) 2.399 3.619 ( 1.887 -0.215 1.050) 2.171 3.619 ( 1.887 0.215 1.050) 2.171 3.647 ( 1.489 -0.351 1.486) 2.133 3.647 ( 1.489 0.351 1.486) 2.133 3.806 ( 1.214 -0.573 0.400) 1.400 3.806 ( 1.214 0.573 0.400) 1.400 3.857 ( 1.103 -0.403 -0.344) 1.223 3.857 ( 1.103 0.403 -0.344) 1.223 5.473 ( 0.255 -0.071 0.631) 0.684 5.473 ( 0.255 0.071 0.631) 0.684 5.518 ( -0.976 -0.461 0.473) 1.178 5.518 ( -0.976 0.461 0.473) 1.178 5.674 ( -1.205 -0.028 1.822) 2.184 5.674 ( -1.205 0.028 1.822) 2.184 5.698 ( -1.077 -0.626 0.440) 1.321 5.698 ( -1.077 0.626 0.440) 1.321 6.857 ( 0.408 -0.403 0.061) 0.577 6.857 ( 0.408 0.403 0.061) 0.577 6.907 ( 0.342 -0.426 -0.765) 0.940 6.907 ( 0.342 0.426 -0.765) 0.940 7.073 ( 0.293 -0.039 -0.260) 0.393 7.073 ( 0.293 0.039 -0.260) 0.393 7.104 ( 0.297 -0.439 -0.135) 0.547 7.104 ( 0.297 0.439 -0.135) 0.547 8.248 ( -0.011 -1.335 0.781) 1.547 8.248 ( -0.011 1.335 0.781) 1.547 8.337 ( -1.142 -1.385 -1.587) 2.396 8.337 ( -1.142 1.385 -1.587) 2.396 8.757 ( -2.223 -2.198 3.441) 4.649 8.757 ( -2.223 2.198 3.441) 4.649 8.917 ( -0.288 -1.905 4.185) 4.607 8.917 ( -0.288 1.905 4.185) 4.607 9.603 ( -0.863 -0.126 -2.043) 2.221 9.603 ( -0.863 0.126 -2.043) 2.221 9.637 ( 0.239 -0.717 -2.986) 3.080 9.637 ( 0.239 0.717 -2.986) 3.080 9.700 ( 1.201 -0.213 -0.695) 1.403 9.700 ( 1.201 0.213 -0.695) 1.403 9.720 ( 1.894 -0.549 -1.622) 2.553 9.720 ( 1.894 0.549 -1.622) 2.553 10.433 ( -0.234 -1.000 -0.192) 1.044 10.433 ( -0.234 1.000 -0.192) 1.044 10.505 ( 0.433 -0.821 0.289) 0.972 10.505 ( 0.433 0.821 0.289) 0.972 11.038 ( -2.987 -0.677 5.026) 5.886 11.038 ( -2.987 0.677 5.026) 5.886 11.133 ( -2.720 -0.558 5.535) 6.193 11.133 ( -2.720 0.558 5.535) 6.193 ======================= Grid point 93 (56/84) ======================= q-point: (-0.38 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -2.640 -2.724 3.139) 4.924 0.574 ( -2.640 2.724 3.139) 4.924 0.779 ( -2.513 -2.705 2.557) 4.491 0.779 ( -2.513 2.705 2.557) 4.491 0.938 ( -2.040 -1.693 1.213) 2.915 0.938 ( -2.040 1.693 1.213) 2.915 1.040 ( 0.459 -2.132 2.193) 3.092 1.040 ( 0.459 2.132 2.193) 3.092 1.169 ( -1.148 -4.525 5.311) 7.071 1.169 ( -1.148 4.525 5.311) 7.071 1.243 ( -3.772 -3.640 0.843) 5.309 1.243 ( -3.772 3.640 0.843) 5.309 1.343 ( -2.371 -1.193 1.877) 3.250 1.343 ( -2.371 1.193 1.877) 3.250 1.467 ( -4.056 -1.168 2.843) 5.089 1.467 ( -4.056 1.168 2.843) 5.089 1.753 ( -1.273 -0.636 0.425) 1.485 1.753 ( -1.273 0.636 0.425) 1.485 1.809 ( -1.143 -0.701 0.197) 1.356 1.809 ( -1.143 0.701 0.197) 1.356 1.865 ( -0.447 -2.882 2.146) 3.621 1.865 ( -0.447 2.882 2.146) 3.621 1.985 ( 1.696 -1.694 0.453) 2.439 1.985 ( 1.696 1.694 0.453) 2.439 2.091 ( 3.590 -1.124 1.626) 4.098 2.091 ( 3.590 1.124 1.626) 4.098 2.207 ( 4.168 -1.717 -1.238) 4.675 2.207 ( 4.168 1.717 -1.238) 4.675 3.182 ( -0.006 -0.193 2.914) 2.920 3.182 ( -0.006 0.193 2.914) 2.920 3.276 ( 0.905 -0.228 0.539) 1.078 3.276 ( 0.905 0.228 0.539) 1.078 3.437 ( 0.897 -0.950 -1.744) 2.179 3.437 ( 0.897 0.950 -1.744) 2.179 3.491 ( 1.049 -0.579 -1.744) 2.116 3.491 ( 1.049 0.579 -1.744) 2.116 3.630 ( -1.101 -1.068 0.274) 1.558 3.630 ( -1.101 1.068 0.274) 1.558 3.670 ( -0.083 -0.364 0.563) 0.676 3.670 ( -0.083 0.364 0.563) 0.676 3.833 ( 1.418 -0.597 -0.049) 1.539 3.833 ( 1.418 0.597 -0.049) 1.539 3.870 ( 0.744 -0.467 -1.089) 1.399 3.870 ( 0.744 0.467 -1.089) 1.399 5.487 ( 0.372 -0.198 0.752) 0.862 5.487 ( 0.372 0.198 0.752) 0.862 5.500 ( -0.856 -0.248 -0.187) 0.911 5.500 ( -0.856 0.248 -0.187) 0.911 5.663 ( -1.607 -0.056 2.207) 2.731 5.663 ( -1.607 0.056 2.207) 2.731 5.682 ( -1.229 -0.244 1.082) 1.656 5.682 ( -1.229 0.244 1.082) 1.656 6.863 ( 0.201 -0.395 -0.026) 0.444 6.863 ( 0.201 0.395 -0.026) 0.444 6.906 ( 0.234 -0.421 -0.839) 0.968 6.906 ( 0.234 0.421 -0.839) 0.968 7.081 ( 0.730 -0.088 -0.310) 0.798 7.081 ( 0.730 0.088 -0.310) 0.798 7.110 ( 0.443 -0.335 -0.184) 0.585 7.110 ( 0.443 0.335 -0.184) 0.585 8.254 ( -0.227 -0.503 1.113) 1.242 8.254 ( -0.227 0.503 1.113) 1.242 8.298 ( -1.661 -0.992 -1.323) 2.344 8.298 ( -1.661 0.992 -1.323) 2.344 8.746 ( -1.837 -2.425 3.513) 4.647 8.746 ( -1.837 2.425 3.513) 4.647 8.937 ( -0.790 -1.844 3.487) 4.023 8.937 ( -0.790 1.844 3.487) 4.023 9.579 ( -0.069 -0.352 -1.971) 2.003 9.579 ( -0.069 0.352 -1.971) 2.003 9.627 ( 1.038 -1.227 -2.811) 3.239 9.627 ( 1.038 1.227 -2.811) 3.239 9.707 ( 0.292 -0.182 -0.940) 1.001 9.707 ( 0.292 0.182 -0.940) 1.001 9.732 ( 0.681 -0.614 -1.174) 1.490 9.732 ( 0.681 0.614 -1.174) 1.490 10.431 ( 0.207 -1.037 -0.102) 1.063 10.431 ( 0.207 1.037 -0.102) 1.063 10.513 ( 0.231 -0.821 0.115) 0.861 10.513 ( 0.231 0.821 0.115) 0.861 11.027 ( -2.601 -0.857 5.475) 6.121 11.027 ( -2.601 0.857 5.475) 6.121 11.124 ( -2.969 -0.576 5.610) 6.373 11.124 ( -2.969 0.576 5.610) 6.373 ======================= Grid point 95 (57/84) ======================= q-point: (-0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -2.430 -2.380 3.372) 4.789 0.553 ( -2.430 2.380 3.372) 4.789 0.739 ( -4.266 -4.296 4.925) 7.804 0.739 ( -4.266 4.296 4.925) 7.804 0.919 ( -2.141 -0.612 3.309) 3.988 0.919 ( -2.141 0.612 3.309) 3.988 1.041 ( -3.225 -0.318 3.851) 5.033 1.041 ( -3.225 0.318 3.851) 5.033 1.166 ( -2.513 -0.970 0.911) 2.844 1.166 ( -2.513 0.970 0.911) 2.844 1.191 ( -2.612 -5.896 6.632) 9.250 1.191 ( -2.612 5.896 6.632) 9.250 1.308 ( -1.673 -1.696 0.434) 2.422 1.308 ( -1.673 1.696 0.434) 2.422 1.454 ( -2.110 -1.120 5.286) 5.801 1.454 ( -2.110 1.120 5.286) 5.801 1.739 ( -0.174 -0.469 0.591) 0.774 1.739 ( -0.174 0.469 0.591) 0.774 1.796 ( -0.089 -0.995 -1.326) 1.660 1.796 ( -0.089 0.995 -1.326) 1.660 1.872 ( -0.971 -3.208 2.258) 4.042 1.872 ( -0.971 3.208 2.258) 4.042 2.016 ( 1.505 -1.456 -0.068) 2.095 2.016 ( 1.505 1.456 -0.068) 2.095 2.150 ( 1.847 -0.933 -0.546) 2.140 2.150 ( 1.847 0.933 -0.546) 2.140 2.266 ( 3.934 -0.735 -2.613) 4.780 2.266 ( 3.934 0.735 -2.613) 4.780 3.202 ( -0.377 -0.356 2.521) 2.574 3.202 ( -0.377 0.356 2.521) 2.574 3.298 ( 0.572 -0.172 0.140) 0.613 3.298 ( 0.572 0.172 0.140) 0.613 3.469 ( 3.116 -1.024 0.052) 3.281 3.469 ( 3.116 1.024 0.052) 3.281 3.516 ( 2.124 -0.612 0.055) 2.211 3.516 ( 2.124 0.612 0.055) 2.211 3.596 ( -1.788 -1.701 -1.121) 2.710 3.596 ( -1.788 1.701 -1.121) 2.710 3.649 ( -1.675 -0.257 -1.365) 2.176 3.649 ( -1.675 0.257 -1.365) 2.176 3.848 ( 0.566 -0.104 -1.030) 1.180 3.848 ( 0.566 0.104 -1.030) 1.180 3.873 ( 0.717 -0.096 -0.849) 1.115 3.873 ( 0.717 0.096 -0.849) 1.115 5.477 ( -0.680 -0.312 -0.169) 0.767 5.477 ( -0.680 0.312 -0.169) 0.767 5.507 ( 0.574 -0.472 0.606) 0.959 5.507 ( 0.574 0.472 0.606) 0.959 5.653 ( -1.528 -0.076 2.647) 3.057 5.653 ( -1.528 0.076 2.647) 3.057 5.671 ( -1.128 -0.018 1.673) 2.018 5.671 ( -1.128 0.018 1.673) 2.018 6.864 ( -0.047 -0.394 -0.179) 0.436 6.864 ( -0.047 0.394 -0.179) 0.436 6.903 ( 0.206 -0.431 -0.954) 1.067 6.903 ( 0.206 0.431 -0.954) 1.067 7.092 ( 0.755 -0.237 -0.379) 0.878 7.092 ( 0.755 0.237 -0.379) 0.878 7.116 ( 0.430 -0.147 -0.289) 0.538 7.116 ( 0.430 0.147 -0.289) 0.538 8.247 ( -0.824 -0.810 -0.689) 1.345 8.247 ( -0.824 0.810 -0.689) 1.345 8.275 ( -0.375 -0.188 1.315) 1.380 8.275 ( -0.375 0.188 1.315) 1.380 8.744 ( -1.382 -2.382 3.544) 4.488 8.744 ( -1.382 2.382 3.544) 4.488 8.941 ( -1.401 -1.621 2.539) 3.322 8.941 ( -1.401 1.621 2.539) 3.322 9.568 ( 0.162 -0.589 -1.389) 1.517 9.568 ( 0.162 0.589 -1.389) 1.517 9.628 ( 1.260 -1.288 -2.539) 3.113 9.628 ( 1.260 1.288 -2.539) 3.113 9.700 ( 0.048 -0.169 -1.340) 1.352 9.700 ( 0.048 0.169 -1.340) 1.352 9.732 ( 0.326 -0.024 -0.727) 0.798 9.732 ( 0.326 0.024 -0.727) 0.798 10.437 ( 0.410 -0.978 0.038) 1.061 10.437 ( 0.410 0.978 0.038) 1.061 10.514 ( -0.189 -0.773 -0.142) 0.808 10.514 ( -0.189 0.773 -0.142) 0.808 11.029 ( -2.022 -1.032 5.953) 6.371 11.029 ( -2.022 1.032 5.953) 6.371 11.114 ( -2.954 -0.604 5.787) 6.525 11.114 ( -2.954 0.604 5.787) 6.525 ======================= Grid point 97 (58/84) ======================= q-point: (-0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -0.374 -1.948 3.975) 4.443 0.550 ( -0.374 1.948 3.975) 4.443 0.737 ( -1.264 -5.487 8.914) 10.543 0.737 ( -1.264 5.487 8.914) 10.543 0.899 ( -2.969 -2.296 4.495) 5.855 0.899 ( -2.969 2.296 4.495) 5.855 1.016 ( -2.552 -2.220 4.831) 5.897 1.016 ( -2.552 2.220 4.831) 5.897 1.157 ( -2.877 -3.291 4.853) 6.532 1.157 ( -2.877 3.291 4.853) 6.532 1.198 ( 0.166 -0.231 3.880) 3.890 1.198 ( 0.166 0.231 3.880) 3.890 1.289 ( -1.123 -0.993 0.440) 1.562 1.289 ( -1.123 0.993 0.440) 1.562 1.448 ( -2.342 -3.561 4.352) 6.091 1.448 ( -2.342 3.561 4.352) 6.091 1.753 ( 0.312 -0.786 0.870) 1.214 1.753 ( 0.312 0.786 0.870) 1.214 1.785 ( 0.043 -0.844 -0.861) 1.206 1.785 ( 0.043 0.844 -0.861) 1.206 1.865 ( -1.169 -2.505 1.763) 3.279 1.865 ( -1.169 2.505 1.763) 3.279 2.030 ( 0.090 -2.201 -0.612) 2.287 2.030 ( 0.090 2.201 -0.612) 2.287 2.152 ( 0.296 -1.700 -3.090) 3.539 2.152 ( 0.296 1.700 -3.090) 3.539 2.297 ( 1.832 -1.154 -3.812) 4.384 2.297 ( 1.832 1.154 -3.812) 4.384 3.202 ( -1.558 -0.720 2.162) 2.761 3.202 ( -1.558 0.720 2.162) 2.761 3.290 ( -1.066 -0.620 -0.493) 1.328 3.290 ( -1.066 0.620 -0.493) 1.328 3.498 ( -1.531 -1.026 -0.369) 1.880 3.498 ( -1.531 1.026 -0.369) 1.880 3.542 ( 0.388 -0.390 -1.697) 1.784 3.542 ( 0.388 0.390 -1.697) 1.784 3.579 ( 0.647 -1.033 1.015) 1.586 3.579 ( 0.647 1.033 1.015) 1.586 3.629 ( 2.253 -0.173 -1.300) 2.606 3.629 ( 2.253 0.173 -1.300) 2.606 3.850 ( 0.774 -0.479 -1.112) 1.437 3.850 ( 0.774 0.479 -1.112) 1.437 3.881 ( 0.658 -0.420 -0.611) 0.992 3.881 ( 0.658 0.420 -0.611) 0.992 5.474 ( 0.374 -0.421 0.162) 0.586 5.474 ( 0.374 0.421 0.162) 0.586 5.517 ( 0.022 -0.602 0.436) 0.743 5.517 ( 0.022 0.602 0.436) 0.743 5.650 ( -1.157 -0.076 2.925) 3.146 5.650 ( -1.157 0.076 2.925) 3.146 5.666 ( -0.980 -0.028 1.983) 2.212 5.666 ( -0.980 0.028 1.983) 2.212 6.859 ( -0.205 -0.321 -0.287) 0.477 6.859 ( -0.205 0.321 -0.287) 0.477 6.899 ( 0.252 -0.409 -1.071) 1.174 6.899 ( 0.252 0.409 -1.071) 1.174 7.100 ( 0.409 -0.309 -0.398) 0.649 7.100 ( 0.409 0.309 -0.398) 0.649 7.120 ( 0.244 -0.027 -0.403) 0.472 7.120 ( 0.244 0.027 -0.403) 0.472 8.234 ( 0.067 -0.919 -0.436) 1.019 8.234 ( 0.067 0.919 -0.436) 1.019 8.288 ( 0.244 -0.682 1.559) 1.719 8.288 ( 0.244 0.682 1.559) 1.719 8.749 ( -1.182 -2.265 3.601) 4.415 8.749 ( -1.182 2.265 3.601) 4.415 8.925 ( -2.073 -1.472 1.841) 3.139 8.925 ( -2.073 1.472 1.841) 3.139 9.565 ( 0.571 -0.783 -0.890) 1.316 9.565 ( 0.571 0.783 -0.890) 1.316 9.631 ( 1.100 -0.724 -2.505) 2.830 9.631 ( 1.100 0.724 -2.505) 2.830 9.696 ( 0.786 -0.192 -1.075) 1.346 9.696 ( 0.786 0.192 -1.075) 1.346 9.734 ( 0.385 -0.248 -0.650) 0.794 9.734 ( 0.385 0.248 -0.650) 0.794 10.444 ( 0.215 -0.840 0.067) 0.870 10.444 ( 0.215 0.840 0.067) 0.870 10.503 ( -0.670 -0.722 -0.391) 1.060 10.503 ( -0.670 0.722 -0.391) 1.060 11.044 ( -1.599 -1.044 6.172) 6.461 11.044 ( -1.599 1.044 6.172) 6.461 11.107 ( -2.757 -0.614 6.004) 6.635 11.107 ( -2.757 0.614 6.004) 6.635 ======================= Grid point 99 (59/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.960 0.000 4.199) 4.307 0.761 ( -0.876 0.000 0.639) 1.084 0.795 ( 3.394 0.000 -0.062) 3.394 0.885 ( 0.258 0.000 -3.204) 3.215 1.006 ( -3.454 0.000 4.828) 5.936 1.010 ( 0.093 0.000 6.385) 6.386 1.053 ( -3.368 0.000 3.317) 4.727 1.096 ( -0.314 0.000 3.178) 3.193 1.174 ( 0.957 0.000 -0.809) 1.254 1.215 ( -0.989 0.000 -3.226) 3.375 1.251 ( -3.662 0.000 5.574) 6.669 1.325 ( 0.648 0.000 3.424) 3.485 1.335 ( 2.451 0.000 3.079) 3.936 1.369 ( -2.513 0.000 2.045) 3.240 1.465 ( -1.597 0.000 7.414) 7.584 1.550 ( -0.532 0.000 2.019) 2.088 1.762 ( 1.306 0.000 0.759) 1.510 1.779 ( 3.016 0.000 0.276) 3.029 1.808 ( 0.500 0.000 1.232) 1.329 1.836 ( -0.833 0.000 0.452) 0.947 1.844 ( -0.074 0.000 -2.514) 2.515 1.891 ( -0.597 0.000 1.461) 1.579 1.961 ( -0.575 0.000 1.784) 1.874 2.012 ( -1.815 0.000 0.267) 1.835 2.050 ( -1.288 0.000 -2.363) 2.692 2.092 ( -0.703 0.000 -3.891) 3.954 2.132 ( -0.363 0.000 -4.902) 4.916 2.174 ( -1.708 0.000 -5.694) 5.944 3.200 ( -1.868 0.000 1.355) 2.308 3.230 ( -0.660 0.000 -0.514) 0.837 3.257 ( -1.554 0.000 2.138) 2.643 3.293 ( 0.162 0.000 0.071) 0.177 3.398 ( 0.038 0.000 -0.990) 0.991 3.431 ( -1.445 0.000 -2.377) 2.782 3.449 ( -0.968 0.000 -1.145) 1.499 3.470 ( 0.010 0.000 -1.823) 1.823 3.641 ( 1.104 0.000 1.453) 1.825 3.660 ( 1.613 0.000 0.903) 1.849 3.663 ( -0.116 0.000 0.484) 0.497 3.687 ( 1.017 0.000 -0.227) 1.042 3.833 ( -0.768 0.000 -0.680) 1.026 3.835 ( 0.786 0.000 -0.657) 1.024 3.877 ( -0.380 0.000 -0.253) 0.456 3.883 ( 1.156 0.000 -0.328) 1.202 5.490 ( 1.608 0.000 0.043) 1.609 5.498 ( -0.743 0.000 -0.357) 0.824 5.513 ( 1.018 0.000 0.589) 1.176 5.524 ( -0.900 0.000 -0.001) 0.900 5.701 ( -0.476 0.000 1.705) 1.770 5.703 ( -0.569 0.000 1.733) 1.824 5.707 ( -0.685 0.000 1.688) 1.821 5.707 ( -0.192 0.000 1.573) 1.584 6.849 ( -0.390 0.000 0.149) 0.417 6.852 ( -0.440 0.000 0.107) 0.452 6.872 ( 0.701 0.000 -0.942) 1.174 6.878 ( 0.302 0.000 -1.077) 1.119 7.092 ( 0.018 0.000 -0.207) 0.208 7.093 ( 0.000 0.000 -0.427) 0.427 7.109 ( -0.020 0.000 -0.272) 0.273 7.114 ( -0.014 0.000 -0.360) 0.360 8.233 ( 1.736 0.000 0.185) 1.745 8.247 ( -1.063 0.000 -0.084) 1.066 8.324 ( 1.548 0.000 0.885) 1.783 8.332 ( -0.700 0.000 0.726) 1.009 8.805 ( -0.378 0.000 3.652) 3.671 8.858 ( -0.184 0.000 1.539) 1.550 8.896 ( -1.819 0.000 1.798) 2.558 8.937 ( -1.481 0.000 0.206) 1.495 9.548 ( 0.825 0.000 -0.527) 0.979 9.566 ( 0.739 0.000 -1.728) 1.880 9.583 ( 1.025 0.000 -0.597) 1.186 9.596 ( 0.504 0.000 -1.608) 1.685 9.689 ( 0.556 0.000 -0.416) 0.694 9.695 ( 0.752 0.000 -0.772) 1.077 9.721 ( 0.024 0.000 -0.518) 0.519 9.721 ( -0.175 0.000 -0.497) 0.527 10.443 ( 0.211 0.000 0.574) 0.612 10.457 ( -0.691 0.000 -0.154) 0.708 10.466 ( 0.236 0.000 -0.261) 0.351 10.481 ( -0.547 0.000 -0.946) 1.093 11.151 ( -0.927 0.000 3.720) 3.833 11.165 ( -1.116 0.000 3.003) 3.204 11.205 ( -1.612 0.000 4.515) 4.794 11.220 ( -1.272 0.000 3.802) 4.009 ======================= Grid point 100 (60/84) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.091 0.000 2.122) 2.124 0.775 ( 2.035 0.000 2.336) 3.098 0.828 ( 2.011 0.000 -5.292) 5.662 0.882 ( 1.871 0.000 -2.375) 3.023 0.967 ( -5.160 0.000 4.711) 6.987 1.014 ( -4.486 0.000 6.402) 7.817 1.027 ( -1.059 0.000 1.642) 1.954 1.093 ( -3.571 0.000 3.553) 5.037 1.165 ( -1.747 0.000 -2.133) 2.757 1.171 ( -0.062 0.000 -2.551) 2.552 1.245 ( -1.242 0.000 7.571) 7.672 1.334 ( -0.877 0.000 1.643) 1.862 1.367 ( 0.344 0.000 2.241) 2.268 1.423 ( 2.329 0.000 0.706) 2.433 1.483 ( -2.303 0.000 5.763) 6.206 1.557 ( -0.186 0.000 3.387) 3.392 1.792 ( 1.200 0.000 1.749) 2.121 1.795 ( -0.135 0.000 -1.123) 1.131 1.812 ( -0.352 0.000 -3.253) 3.272 1.839 ( 2.630 0.000 -0.209) 2.639 1.858 ( 0.934 0.000 0.908) 1.302 1.891 ( -1.136 0.000 0.814) 1.398 1.973 ( -2.786 0.000 1.783) 3.308 1.980 ( 0.167 0.000 3.296) 3.300 2.024 ( -0.532 0.000 -1.047) 1.174 2.060 ( 0.478 0.000 -1.330) 1.413 2.079 ( -1.665 0.000 -2.967) 3.402 2.095 ( -2.296 0.000 -4.361) 4.929 3.192 ( -0.420 0.000 2.187) 2.227 3.244 ( 1.885 0.000 0.737) 2.024 3.247 ( -1.280 0.000 2.241) 2.581 3.307 ( 1.033 0.000 0.485) 1.141 3.419 ( 1.621 0.000 -1.165) 1.996 3.426 ( 2.912 0.000 0.517) 2.957 3.457 ( 2.168 0.000 0.155) 2.173 3.478 ( 1.914 0.000 -0.941) 2.133 3.629 ( -3.217 0.000 -0.711) 3.294 3.641 ( -1.631 0.000 0.478) 1.700 3.668 ( -1.235 0.000 -0.249) 1.260 3.670 ( -2.142 0.000 -1.457) 2.591 3.809 ( -1.381 0.000 -0.290) 1.411 3.836 ( -0.209 0.000 -0.399) 0.450 3.860 ( -1.245 0.000 -0.321) 1.286 3.889 ( -0.095 0.000 -0.551) 0.559 5.481 ( -0.619 0.000 -0.670) 0.912 5.504 ( -1.080 0.000 -0.108) 1.086 5.519 ( 1.415 0.000 -0.152) 1.423 5.532 ( 0.585 0.000 0.533) 0.791 5.705 ( -0.423 0.000 1.466) 1.526 5.705 ( -0.506 0.000 1.478) 1.563 5.709 ( -0.465 0.000 1.416) 1.490 5.718 ( 0.191 0.000 1.161) 1.177 6.842 ( -0.372 0.000 0.182) 0.414 6.851 ( -0.023 0.000 0.308) 0.309 6.876 ( 0.450 0.000 -0.948) 1.050 6.881 ( 0.841 0.000 -0.773) 1.142 7.087 ( -0.353 0.000 -0.239) 0.426 7.088 ( -0.291 0.000 -0.191) 0.348 7.105 ( -0.251 0.000 -0.045) 0.255 7.110 ( -0.159 0.000 -0.327) 0.364 8.228 ( -0.739 0.000 -0.431) 0.856 8.267 ( 1.780 0.000 -0.132) 1.785 8.319 ( -0.967 0.000 0.161) 0.980 8.354 ( 1.179 0.000 0.158) 1.190 8.824 ( -0.654 0.000 3.080) 3.149 8.862 ( -0.445 0.000 0.490) 0.662 8.888 ( -1.062 0.000 3.295) 3.462 8.923 ( -0.425 0.000 1.315) 1.382 9.568 ( 1.893 0.000 -0.737) 2.031 9.576 ( 1.875 0.000 -1.968) 2.719 9.600 ( 1.313 0.000 -1.869) 2.284 9.603 ( 1.737 0.000 -0.812) 1.918 9.685 ( -0.536 0.000 -0.861) 1.014 9.690 ( -0.503 0.000 -1.188) 1.290 9.705 ( -1.254 0.000 -0.401) 1.317 9.705 ( -1.307 0.000 -0.327) 1.347 10.445 ( -0.421 0.000 0.332) 0.536 10.458 ( 0.479 0.000 0.822) 0.952 10.465 ( -0.158 0.000 -0.707) 0.724 10.475 ( 0.624 0.000 -0.241) 0.669 11.156 ( -1.534 0.000 3.342) 3.677 11.163 ( -1.544 0.000 2.669) 3.083 11.212 ( -1.312 0.000 4.236) 4.434 11.226 ( -1.138 0.000 3.442) 3.625 ======================= Grid point 101 (61/84) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.062 0.000 1.233) 1.234 0.816 ( 0.889 0.000 -4.545) 4.631 0.826 ( 0.302 0.000 1.047) 1.090 0.869 ( -2.350 0.000 -0.019) 2.350 0.904 ( -3.935 0.000 2.426) 4.622 1.002 ( -2.486 0.000 5.771) 6.284 1.006 ( -1.738 0.000 0.092) 1.740 1.045 ( -4.141 0.000 5.094) 6.565 1.135 ( -0.220 0.000 0.224) 0.314 1.157 ( 1.330 0.000 -1.638) 2.110 1.311 ( -0.277 0.000 6.607) 6.612 1.368 ( 0.570 0.000 1.315) 1.433 1.383 ( 4.257 0.000 1.916) 4.668 1.406 ( -1.855 0.000 -2.108) 2.808 1.466 ( -3.471 0.000 3.926) 5.240 1.582 ( -1.069 0.000 1.913) 2.192 1.792 ( 0.828 0.000 -2.148) 2.302 1.796 ( 1.865 0.000 -1.380) 2.320 1.858 ( 0.826 0.000 -2.000) 2.164 1.863 ( 1.422 0.000 5.093) 5.288 1.873 ( -0.886 0.000 -0.494) 1.015 1.880 ( 2.259 0.000 0.891) 2.429 1.931 ( -2.668 0.000 0.095) 2.670 1.979 ( -3.089 0.000 1.089) 3.275 2.015 ( 0.432 0.000 0.473) 0.641 2.023 ( -1.363 0.000 -1.383) 1.942 2.070 ( 0.907 0.000 0.584) 1.079 2.082 ( 0.294 0.000 1.523) 1.552 3.209 ( -0.305 0.000 3.063) 3.078 3.243 ( -1.396 0.000 2.650) 2.996 3.287 ( 1.547 0.000 0.500) 1.626 3.325 ( 0.149 0.000 -0.074) 0.167 3.468 ( 3.862 0.000 0.222) 3.869 3.489 ( 2.504 0.000 0.132) 2.508 3.515 ( 1.049 0.000 -0.104) 1.054 3.522 ( 3.799 0.000 1.234) 3.995 3.560 ( -1.703 0.000 -0.769) 1.869 3.598 ( -3.631 0.000 -2.291) 4.294 3.603 ( -1.726 0.000 -0.182) 1.736 3.614 ( -3.434 0.000 -1.455) 3.730 3.787 ( -0.763 0.000 0.351) 0.840 3.828 ( -0.283 0.000 0.101) 0.301 3.832 ( -1.405 0.000 -0.018) 1.405 3.875 ( -0.945 0.000 -0.325) 0.999 5.468 ( -0.191 0.000 -0.580) 0.611 5.487 ( -0.734 0.000 0.041) 0.735 5.535 ( 0.458 0.000 -0.339) 0.570 5.541 ( -0.035 0.000 0.246) 0.249 5.708 ( -0.393 0.000 1.251) 1.312 5.709 ( -0.348 0.000 1.198) 1.248 5.710 ( -0.388 0.000 1.074) 1.142 5.727 ( 0.010 0.000 0.567) 0.567 6.841 ( 0.030 0.000 0.346) 0.347 6.855 ( 0.153 0.000 0.422) 0.449 6.878 ( 0.513 0.000 -0.842) 0.986 6.890 ( 0.778 0.000 -0.683) 1.035 7.078 ( -0.478 0.000 -0.097) 0.487 7.079 ( -0.422 0.000 -0.177) 0.458 7.100 ( -0.309 0.000 0.140) 0.339 7.105 ( -0.087 0.000 -0.275) 0.289 8.218 ( 0.046 0.000 -0.316) 0.319 8.290 ( 0.995 0.000 -0.522) 1.124 8.304 ( -0.632 0.000 -0.099) 0.640 8.366 ( 0.298 0.000 -0.716) 0.775 8.825 ( -1.566 0.000 2.463) 2.919 8.852 ( -0.660 0.000 -0.002) 0.660 8.908 ( -0.192 0.000 4.306) 4.311 8.940 ( 0.670 0.000 1.979) 2.090 9.597 ( 2.016 0.000 -2.853) 3.493 9.599 ( 2.134 0.000 -1.570) 2.649 9.609 ( 1.142 0.000 -2.646) 2.882 9.627 ( 1.331 0.000 -1.374) 1.913 9.663 ( -0.712 0.000 -0.869) 1.123 9.668 ( -0.581 0.000 -0.579) 0.820 9.674 ( -1.436 0.000 0.304) 1.468 9.679 ( -1.156 0.000 0.627) 1.315 10.440 ( -0.546 0.000 0.437) 0.700 10.456 ( -0.119 0.000 -0.811) 0.820 10.475 ( 0.527 0.000 1.043) 1.168 10.489 ( 0.927 0.000 -0.028) 0.928 11.148 ( -2.104 0.000 3.134) 3.775 11.152 ( -1.806 0.000 2.481) 3.068 11.220 ( -1.289 0.000 3.814) 4.026 11.230 ( -1.191 0.000 3.104) 3.325 ======================= Grid point 102 (62/84) ======================= q-point: (-0.62 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -0.822 0.000 1.912) 2.082 0.781 ( -1.793 0.000 -1.381) 2.263 0.783 ( -4.093 0.000 -0.366) 4.109 0.825 ( -2.309 0.000 0.965) 2.503 0.890 ( 1.077 0.000 0.615) 1.241 0.983 ( -0.097 0.000 -0.478) 0.488 0.991 ( -1.589 0.000 1.578) 2.239 1.032 ( -0.942 0.000 1.887) 2.109 1.182 ( 2.654 0.000 5.479) 6.088 1.210 ( 3.492 0.000 2.447) 4.264 1.285 ( -4.289 0.000 3.581) 5.588 1.358 ( -0.812 0.000 -1.980) 2.140 1.398 ( -3.030 0.000 1.753) 3.501 1.476 ( 2.648 0.000 4.644) 5.346 1.479 ( 2.407 0.000 -0.431) 2.445 1.542 ( -1.808 0.000 0.646) 1.920 1.808 ( 0.185 0.000 0.278) 0.334 1.818 ( -0.243 0.000 -0.840) 0.874 1.835 ( 0.381 0.000 -1.240) 1.298 1.854 ( 0.129 0.000 -0.919) 0.928 1.884 ( -0.808 0.000 -0.326) 0.871 1.908 ( -2.271 0.000 -0.121) 2.274 1.932 ( -1.039 0.000 3.629) 3.775 1.952 ( 3.004 0.000 1.161) 3.220 2.028 ( -0.540 0.000 2.616) 2.671 2.029 ( 1.882 0.000 1.104) 2.182 2.081 ( -0.742 0.000 0.788) 1.082 2.107 ( 2.207 0.000 1.465) 2.649 3.220 ( -1.055 0.000 2.865) 3.053 3.233 ( -1.827 0.000 2.565) 3.150 3.291 ( -0.933 0.000 -0.588) 1.103 3.303 ( -1.727 0.000 -0.964) 1.977 3.465 ( -2.805 0.000 -2.379) 3.678 3.468 ( -2.042 0.000 -2.270) 3.053 3.504 ( -2.254 0.000 -2.189) 3.142 3.520 ( -3.670 0.000 -2.471) 4.424 3.565 ( 3.870 0.000 0.864) 3.965 3.600 ( 2.978 0.000 1.444) 3.310 3.611 ( 3.363 0.000 1.841) 3.834 3.637 ( 2.638 0.000 1.728) 3.153 3.791 ( 0.643 0.000 0.839) 1.057 3.817 ( -0.410 0.000 0.565) 0.698 3.831 ( 0.417 0.000 0.129) 0.436 3.857 ( -0.605 0.000 -0.122) 0.617 5.467 ( 0.370 0.000 -0.098) 0.383 5.480 ( -0.110 0.000 0.322) 0.340 5.531 ( -0.411 0.000 -0.696) 0.808 5.535 ( -0.633 0.000 -0.135) 0.647 5.709 ( -0.470 0.000 1.109) 1.204 5.709 ( -0.556 0.000 1.088) 1.221 5.711 ( -0.427 0.000 0.986) 1.075 5.726 ( -0.543 0.000 0.348) 0.645 6.847 ( 0.294 0.000 0.434) 0.524 6.863 ( 0.251 0.000 0.478) 0.540 6.881 ( 0.479 0.000 -0.798) 0.930 6.897 ( 0.502 0.000 -0.716) 0.874 7.070 ( -0.273 0.000 -0.071) 0.283 7.071 ( -0.247 0.000 -0.173) 0.302 7.097 ( -0.154 0.000 0.190) 0.245 7.103 ( 0.132 0.000 -0.267) 0.298 8.226 ( 0.853 0.000 0.254) 0.890 8.294 ( -0.057 0.000 -0.675) 0.678 8.296 ( -0.136 0.000 -0.006) 0.136 8.354 ( -0.723 0.000 -1.375) 1.554 8.810 ( -2.050 0.000 2.579) 3.294 8.842 ( -0.511 0.000 0.259) 0.573 8.938 ( -0.271 0.000 4.079) 4.088 8.971 ( 0.901 0.000 1.889) 2.093 9.585 ( -0.688 0.000 -2.532) 2.623 9.594 ( -0.449 0.000 -2.654) 2.692 9.598 ( 0.572 0.000 -3.249) 3.299 9.613 ( -1.305 0.000 -1.856) 2.269 9.664 ( 1.505 0.000 0.248) 1.525 9.674 ( 1.103 0.000 0.057) 1.104 9.685 ( 1.143 0.000 0.540) 1.264 9.687 ( 1.115 0.000 0.656) 1.294 10.431 ( -0.778 0.000 0.340) 0.849 10.448 ( -0.112 0.000 -0.839) 0.847 10.490 ( 0.219 0.000 0.882) 0.909 10.505 ( 0.794 0.000 -0.104) 0.801 11.131 ( -2.284 0.000 3.137) 3.881 11.138 ( -1.808 0.000 2.530) 3.110 11.223 ( -1.557 0.000 3.596) 3.919 11.231 ( -1.350 0.000 3.021) 3.309 ======================= Grid point 103 (63/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -3.038 0.000 3.376) 4.542 0.717 ( -2.926 0.000 0.963) 3.080 0.753 ( -0.596 0.000 -0.002) 0.596 0.806 ( 0.098 0.000 -0.521) 0.530 0.928 ( 1.629 0.000 1.014) 1.919 0.988 ( 1.125 0.000 -2.086) 2.370 0.989 ( 1.000 0.000 0.459) 1.101 1.040 ( 1.398 0.000 -0.549) 1.501 1.237 ( -4.712 0.000 5.931) 7.575 1.269 ( 0.648 0.000 4.743) 4.787 1.285 ( 1.503 0.000 2.977) 3.335 1.346 ( -3.211 0.000 1.713) 3.640 1.349 ( 1.246 0.000 -0.589) 1.379 1.421 ( -3.695 0.000 -0.724) 3.765 1.531 ( -1.380 0.000 3.506) 3.768 1.573 ( -0.033 0.000 1.669) 1.670 1.780 ( -2.052 0.000 0.180) 2.060 1.790 ( -1.192 0.000 -0.265) 1.221 1.833 ( -1.180 0.000 -0.030) 1.180 1.855 ( -0.744 0.000 -0.252) 0.785 1.867 ( -1.637 0.000 0.870) 1.854 1.884 ( 0.950 0.000 -0.726) 1.195 1.947 ( 0.644 0.000 1.911) 2.016 1.987 ( 1.006 0.000 -0.771) 1.267 2.055 ( 1.294 0.000 2.867) 3.146 2.087 ( 3.331 0.000 0.726) 3.409 2.101 ( 1.659 0.000 2.047) 2.635 2.161 ( 2.484 0.000 0.036) 2.485 3.221 ( -0.789 0.000 2.390) 2.517 3.222 ( -1.061 0.000 2.099) 2.352 3.269 ( -0.262 0.000 -0.645) 0.696 3.272 ( -0.487 0.000 -0.431) 0.650 3.407 ( -1.182 0.000 -1.677) 2.052 3.425 ( -0.528 0.000 -2.102) 2.168 3.454 ( -1.339 0.000 -1.972) 2.384 3.462 ( -0.084 0.000 -2.217) 2.218 3.634 ( 2.270 0.000 0.718) 2.381 3.639 ( -0.001 0.000 0.677) 0.677 3.674 ( 1.689 0.000 1.315) 2.141 3.678 ( 0.356 0.000 1.079) 1.136 3.813 ( 0.760 0.000 0.779) 1.089 3.826 ( 0.841 0.000 0.521) 0.990 3.839 ( 0.412 0.000 -0.528) 0.669 3.853 ( 0.292 0.000 -0.597) 0.665 5.480 ( 0.800 0.000 0.441) 0.913 5.487 ( 0.468 0.000 0.638) 0.792 5.511 ( -1.014 0.000 -0.934) 1.379 5.516 ( -1.021 0.000 -0.563) 1.166 5.706 ( -0.824 0.000 1.255) 1.502 5.707 ( -0.753 0.000 1.181) 1.400 5.711 ( -0.499 0.000 1.186) 1.286 5.716 ( -0.889 0.000 0.656) 1.105 6.856 ( 0.215 0.000 0.376) 0.433 6.870 ( 0.182 0.000 0.443) 0.479 6.882 ( 0.303 0.000 -0.859) 0.911 6.898 ( 0.247 0.000 -0.817) 0.853 7.069 ( 0.227 0.000 -0.157) 0.276 7.069 ( 0.163 0.000 -0.205) 0.262 7.097 ( 0.116 0.000 0.071) 0.136 7.105 ( 0.316 0.000 -0.314) 0.446 8.250 ( 1.127 0.000 0.914) 1.451 8.278 ( -1.117 0.000 -0.736) 1.338 8.297 ( -0.072 0.000 0.370) 0.376 8.322 ( -1.431 0.000 -1.381) 1.988 8.793 ( -2.099 0.000 2.851) 3.540 8.838 ( -0.423 0.000 0.761) 0.870 8.957 ( -0.823 0.000 3.312) 3.413 8.997 ( 0.386 0.000 1.472) 1.522 9.557 ( -0.287 0.000 -1.699) 1.723 9.567 ( -0.500 0.000 -1.589) 1.666 9.578 ( -0.643 0.000 -1.821) 1.931 9.589 ( 1.030 0.000 -2.403) 2.615 9.690 ( 0.933 0.000 -0.239) 0.963 9.690 ( 0.554 0.000 -0.330) 0.644 9.705 ( 0.676 0.000 0.112) 0.685 9.712 ( 1.164 0.000 -0.264) 1.194 10.420 ( -0.528 0.000 0.303) 0.608 10.442 ( 0.233 0.000 -0.652) 0.692 10.497 ( -0.021 0.000 0.527) 0.528 10.516 ( 0.565 0.000 -0.277) 0.629 11.116 ( -2.041 0.000 3.414) 3.977 11.128 ( -1.490 0.000 2.844) 3.211 11.219 ( -1.886 0.000 3.643) 4.103 11.228 ( -1.574 0.000 3.183) 3.551 ======================= Grid point 104 (64/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -2.898 0.000 4.219) 5.118 0.690 ( -1.886 0.000 3.097) 3.626 0.745 ( -0.906 0.000 0.394) 0.988 0.820 ( 1.901 0.000 -0.535) 1.974 0.959 ( 0.921 0.000 1.835) 2.053 0.983 ( -0.432 0.000 -0.672) 0.799 1.031 ( 2.664 0.000 0.603) 2.731 1.066 ( 2.260 0.000 -1.782) 2.878 1.216 ( -2.863 0.000 6.275) 6.897 1.233 ( -5.131 0.000 1.238) 5.278 1.295 ( -1.986 0.000 3.019) 3.614 1.311 ( -3.519 0.000 2.322) 4.216 1.366 ( -2.630 0.000 -0.190) 2.637 1.408 ( 3.047 0.000 1.728) 3.503 1.493 ( -3.995 0.000 2.913) 4.945 1.552 ( -2.729 0.000 2.291) 3.563 1.760 ( -0.660 0.000 0.948) 1.155 1.774 ( -1.348 0.000 0.942) 1.644 1.789 ( -2.673 0.000 0.484) 2.717 1.815 ( -2.655 0.000 -0.481) 2.698 1.870 ( 0.233 0.000 1.614) 1.631 1.916 ( 2.909 0.000 -0.394) 2.936 1.977 ( 0.541 0.000 0.857) 1.013 2.006 ( 1.743 0.000 -0.960) 1.990 2.097 ( 1.335 0.000 -0.544) 1.441 2.138 ( 0.935 0.000 1.184) 1.509 2.154 ( 4.169 0.000 -1.350) 4.382 2.188 ( 1.771 0.000 -2.853) 3.358 3.231 ( 0.068 0.000 2.238) 2.239 3.235 ( 0.287 0.000 2.223) 2.242 3.276 ( 1.179 0.000 -0.167) 1.191 3.284 ( 1.414 0.000 -0.062) 1.415 3.407 ( 1.879 0.000 0.131) 1.883 3.429 ( 2.404 0.000 -0.894) 2.565 3.450 ( 2.025 0.000 -0.493) 2.084 3.472 ( 2.601 0.000 -0.742) 2.705 3.610 ( -2.948 0.000 -0.687) 3.028 3.645 ( -1.195 0.000 -0.668) 1.369 3.665 ( -2.063 0.000 -0.248) 2.078 3.681 ( -1.386 0.000 -0.181) 1.398 3.830 ( 0.709 0.000 0.211) 0.739 3.833 ( -0.264 0.000 -1.249) 1.276 3.849 ( 1.226 0.000 0.137) 1.234 3.852 ( 0.265 0.000 -1.150) 1.180 5.484 ( -1.096 0.000 -0.805) 1.360 5.494 ( -0.839 0.000 -0.511) 0.983 5.497 ( 0.578 0.000 0.658) 0.876 5.507 ( 0.914 0.000 0.856) 1.253 5.700 ( -0.939 0.000 1.516) 1.783 5.702 ( -0.914 0.000 1.546) 1.796 5.706 ( -0.870 0.000 1.104) 1.405 5.711 ( -0.628 0.000 1.395) 1.530 6.859 ( -0.065 0.000 0.236) 0.244 6.875 ( -0.072 0.000 0.322) 0.330 6.879 ( 0.137 0.000 -1.001) 1.011 6.894 ( 0.131 0.000 -0.956) 0.965 7.074 ( 0.537 0.000 -0.238) 0.588 7.076 ( 0.687 0.000 -0.321) 0.759 7.101 ( 0.341 0.000 -0.162) 0.377 7.109 ( 0.376 0.000 -0.363) 0.523 8.244 ( -1.675 0.000 -0.880) 1.892 8.275 ( 0.555 0.000 0.930) 1.083 8.289 ( -1.179 0.000 -0.419) 1.252 8.299 ( -0.120 0.000 1.215) 1.221 8.781 ( -1.684 0.000 3.084) 3.514 8.838 ( -0.412 0.000 1.318) 1.381 8.958 ( -1.365 0.000 2.279) 2.656 9.004 ( -0.539 0.000 0.865) 1.019 9.551 ( -0.292 0.000 -0.631) 0.695 9.552 ( 0.828 0.000 -1.017) 1.312 9.566 ( 0.403 0.000 -1.319) 1.380 9.598 ( 1.436 0.000 -1.545) 2.109 9.687 ( -0.289 0.000 -0.914) 0.959 9.690 ( -0.357 0.000 -0.634) 0.728 9.714 ( 0.542 0.000 -0.493) 0.733 9.720 ( 0.215 0.000 -0.911) 0.936 10.419 ( 0.081 0.000 0.397) 0.405 10.447 ( 0.658 0.000 -0.327) 0.735 10.497 ( -0.193 0.000 0.123) 0.229 10.521 ( 0.266 0.000 -0.476) 0.545 11.112 ( -1.534 0.000 3.841) 4.135 11.129 ( -0.984 0.000 3.263) 3.408 11.212 ( -2.083 0.000 3.869) 4.394 11.223 ( -1.773 0.000 3.456) 3.885 ======================= Grid point 105 (65/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -3.238 0.000 4.357) 5.429 0.694 ( -0.942 0.000 5.254) 5.338 0.729 ( -0.959 0.000 1.186) 1.525 0.860 ( 2.114 0.000 0.580) 2.192 0.972 ( -2.126 0.000 3.930) 4.468 0.995 ( 0.989 0.000 2.612) 2.793 1.082 ( -0.439 0.000 0.519) 0.680 1.084 ( 1.820 0.000 1.878) 2.616 1.174 ( -0.150 0.000 0.154) 0.215 1.189 ( -5.140 0.000 2.267) 5.618 1.251 ( -1.668 0.000 2.389) 2.914 1.307 ( -1.805 0.000 6.166) 6.425 1.325 ( -1.538 0.000 -0.339) 1.575 1.438 ( -1.615 0.000 1.094) 1.951 1.455 ( -3.035 0.000 3.268) 4.460 1.533 ( -0.350 0.000 1.249) 1.297 1.741 ( -1.730 0.000 0.565) 1.820 1.769 ( -1.174 0.000 -1.399) 1.827 1.776 ( -0.412 0.000 1.444) 1.502 1.779 ( 1.111 0.000 2.096) 2.373 1.884 ( -0.748 0.000 1.968) 2.105 1.963 ( 1.481 0.000 -0.045) 1.482 1.969 ( -0.645 0.000 -0.834) 1.054 2.022 ( 0.610 0.000 -1.122) 1.277 2.082 ( -0.185 0.000 -3.109) 3.115 2.159 ( 0.899 0.000 -1.480) 1.732 2.185 ( 1.342 0.000 -4.765) 4.950 2.214 ( 3.825 0.000 -3.328) 5.070 3.243 ( -0.943 0.000 2.208) 2.401 3.259 ( -0.066 0.000 2.548) 2.549 3.288 ( 0.086 0.000 -0.770) 0.774 3.300 ( 0.330 0.000 -0.310) 0.453 3.471 ( 4.227 0.000 1.115) 4.371 3.491 ( 3.888 0.000 -0.317) 3.901 3.507 ( 2.333 0.000 0.828) 2.475 3.534 ( -3.223 0.000 -1.381) 3.507 3.545 ( 4.862 0.000 0.939) 4.952 3.591 ( -3.115 0.000 -1.725) 3.561 3.608 ( -2.676 0.000 -1.880) 3.271 3.629 ( -3.114 0.000 -1.052) 3.287 3.819 ( 0.129 0.000 -1.235) 1.241 3.841 ( 0.637 0.000 -0.431) 0.769 3.848 ( 0.428 0.000 -0.896) 0.993 3.869 ( 0.906 0.000 -0.088) 0.910 5.464 ( -0.362 0.000 -0.405) 0.543 5.483 ( -0.090 0.000 0.029) 0.095 5.509 ( 0.175 0.000 0.549) 0.576 5.527 ( 0.521 0.000 0.689) 0.864 5.696 ( -0.854 0.000 1.731) 1.930 5.698 ( -0.842 0.000 1.847) 2.030 5.702 ( -0.700 0.000 1.401) 1.566 5.710 ( -0.771 0.000 1.604) 1.779 6.858 ( -0.255 0.000 0.135) 0.289 6.872 ( -0.404 0.000 0.168) 0.438 6.873 ( 0.176 0.000 -1.114) 1.128 6.888 ( 0.125 0.000 -1.087) 1.094 7.083 ( 0.599 0.000 -0.254) 0.651 7.086 ( 0.747 0.000 -0.490) 0.893 7.106 ( 0.394 0.000 -0.369) 0.540 7.113 ( 0.342 0.000 -0.366) 0.501 8.213 ( -0.905 0.000 -0.509) 1.038 8.277 ( -0.187 0.000 0.584) 0.614 8.277 ( -0.647 0.000 0.509) 0.823 8.315 ( 0.320 0.000 1.818) 1.846 8.779 ( -1.160 0.000 3.227) 3.429 8.843 ( -0.403 0.000 1.722) 1.769 8.944 ( -1.717 0.000 1.402) 2.217 8.992 ( -1.282 0.000 0.295) 1.316 9.546 ( -0.081 0.000 -0.195) 0.211 9.566 ( 1.132 0.000 -0.763) 1.365 9.567 ( 0.430 0.000 -0.442) 0.617 9.608 ( 0.571 0.000 -1.032) 1.180 9.675 ( 0.151 0.000 -1.095) 1.106 9.678 ( -0.101 0.000 -0.818) 0.825 9.713 ( 0.203 0.000 -1.101) 1.120 9.719 ( 0.603 0.000 -0.935) 1.113 10.427 ( 0.351 0.000 0.440) 0.563 10.458 ( 0.608 0.000 -0.168) 0.631 10.490 ( -0.547 0.000 -0.255) 0.604 10.516 ( -0.268 0.000 -0.735) 0.782 11.119 ( -1.028 0.000 4.143) 4.268 11.141 ( -0.610 0.000 3.503) 3.556 11.205 ( -2.063 0.000 4.170) 4.653 11.218 ( -1.808 0.000 3.718) 4.134 ======================= Grid point 106 (66/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -2.153 0.000 4.399) 4.898 0.742 ( 1.305 0.000 4.197) 4.395 0.742 ( 1.238 0.000 1.703) 2.105 0.891 ( 0.711 0.000 0.079) 0.715 0.963 ( -2.882 0.000 7.927) 8.435 1.021 ( -0.795 0.000 2.572) 2.692 1.083 ( -0.018 0.000 1.344) 1.344 1.086 ( -3.809 0.000 3.746) 5.342 1.155 ( 1.555 0.000 -0.877) 1.785 1.217 ( 3.285 0.000 -1.049) 3.448 1.258 ( -1.739 0.000 5.189) 5.473 1.302 ( -1.348 0.000 1.754) 2.212 1.312 ( -1.521 0.000 3.249) 3.588 1.400 ( -2.555 0.000 1.494) 2.960 1.441 ( -2.353 0.000 6.817) 7.212 1.543 ( -0.006 0.000 0.993) 0.993 1.734 ( 0.739 0.000 0.158) 0.756 1.750 ( 0.631 0.000 -1.283) 1.430 1.788 ( -0.003 0.000 2.181) 2.181 1.825 ( 1.891 0.000 1.386) 2.345 1.863 ( -2.040 0.000 0.544) 2.111 1.932 ( -3.033 0.000 -1.430) 3.353 1.963 ( -0.113 0.000 0.224) 0.251 2.028 ( 0.494 0.000 -0.783) 0.926 2.071 ( 0.935 0.000 -2.733) 2.889 2.139 ( -0.790 0.000 -3.514) 3.602 2.165 ( 1.029 0.000 -5.686) 5.778 2.227 ( 0.854 0.000 -4.951) 5.024 3.228 ( -2.184 0.000 1.666) 2.747 3.264 ( -1.668 0.000 -1.187) 2.047 3.266 ( -1.271 0.000 2.514) 2.817 3.297 ( -0.271 0.000 -0.266) 0.380 3.441 ( -3.096 0.000 -2.178) 3.786 3.489 ( -1.954 0.000 -2.710) 3.341 3.500 ( -2.739 0.000 -1.443) 3.096 3.517 ( -3.253 0.000 -2.519) 4.114 3.576 ( 4.012 0.000 1.782) 4.390 3.610 ( 2.915 0.000 0.662) 2.989 3.627 ( 2.622 0.000 1.332) 2.941 3.639 ( 3.799 0.000 0.931) 3.911 3.822 ( 1.019 0.000 -0.895) 1.356 3.844 ( 0.157 0.000 -0.790) 0.805 3.860 ( 1.296 0.000 -0.259) 1.322 3.879 ( 0.307 0.000 -0.141) 0.338 5.467 ( 0.804 0.000 -0.022) 0.804 5.491 ( 0.742 0.000 0.460) 0.873 5.510 ( -0.401 0.000 0.142) 0.426 5.533 ( -0.254 0.000 0.319) 0.408 5.696 ( -0.593 0.000 1.849) 1.942 5.700 ( -0.654 0.000 1.910) 2.019 5.702 ( -0.545 0.000 1.551) 1.644 5.708 ( -0.838 0.000 1.721) 1.914 6.853 ( -0.284 0.000 0.129) 0.312 6.863 ( -0.639 0.000 0.055) 0.642 6.869 ( 0.418 0.000 -1.091) 1.168 6.882 ( 0.187 0.000 -1.139) 1.154 7.090 ( 0.358 0.000 -0.241) 0.431 7.093 ( 0.436 0.000 -0.541) 0.695 7.109 ( 0.247 0.000 -0.411) 0.480 7.115 ( 0.210 0.000 -0.358) 0.415 8.209 ( 0.614 0.000 0.037) 0.615 8.265 ( -0.996 0.000 0.338) 1.052 8.291 ( 0.998 0.000 1.076) 1.468 8.331 ( -0.081 0.000 1.374) 1.376 8.788 ( -0.740 0.000 3.446) 3.525 8.850 ( -0.327 0.000 1.844) 1.873 8.920 ( -1.928 0.000 1.168) 2.254 8.965 ( -1.624 0.000 -0.009) 1.624 9.543 ( 0.061 0.000 -0.227) 0.235 9.571 ( 0.327 0.000 -1.343) 1.382 9.573 ( 0.533 0.000 -0.258) 0.592 9.603 ( 0.034 0.000 -1.177) 1.178 9.679 ( 0.715 0.000 -0.538) 0.895 9.681 ( 1.116 0.000 -0.707) 1.321 9.716 ( 0.805 0.000 -0.734) 1.090 9.722 ( 0.521 0.000 -0.841) 0.990 10.436 ( 0.236 0.000 0.434) 0.494 10.464 ( 0.277 0.000 -0.226) 0.358 10.474 ( -0.854 0.000 -0.408) 0.947 10.500 ( -0.699 0.000 -0.950) 1.180 11.136 ( -0.766 0.000 4.093) 4.164 11.157 ( -0.675 0.000 3.377) 3.444 11.202 ( -1.881 0.000 4.438) 4.820 11.216 ( -1.596 0.000 3.879) 4.194 ======================= Grid point 107 (67/84) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.900 -3.592 3.332) 4.982 0.662 ( 0.900 3.592 3.332) 4.982 0.872 ( 1.289 -1.797 -3.473) 4.117 0.872 ( 1.289 1.797 -3.473) 4.117 1.003 ( -1.619 -0.170 6.389) 6.593 1.003 ( -1.619 0.170 6.389) 6.593 1.071 ( -2.774 -1.363 3.304) 4.524 1.071 ( -2.774 1.363 3.304) 4.524 1.199 ( 0.304 -1.357 -2.377) 2.754 1.199 ( 0.304 1.357 -2.377) 2.754 1.292 ( -2.215 -2.936 5.199) 6.368 1.292 ( -2.215 2.936 5.199) 6.368 1.338 ( 1.009 -0.577 3.538) 3.724 1.338 ( 1.009 0.577 3.538) 3.724 1.515 ( -1.070 -2.410 3.496) 4.379 1.515 ( -1.070 2.410 3.496) 4.379 1.769 ( 1.609 -0.691 0.478) 1.815 1.769 ( 1.609 0.691 0.478) 1.815 1.815 ( 0.246 -1.000 0.384) 1.099 1.815 ( 0.246 1.000 0.384) 1.099 1.878 ( -0.246 -1.191 0.331) 1.261 1.878 ( -0.246 1.191 0.331) 1.261 1.993 ( -1.104 -1.965 0.568) 2.324 1.993 ( -1.104 1.965 0.568) 2.324 2.052 ( -0.946 -0.785 -3.166) 3.396 2.052 ( -0.946 0.785 -3.166) 3.396 2.165 ( -1.219 -0.914 -5.176) 5.396 2.165 ( -1.219 0.914 -5.176) 5.396 3.214 ( -1.636 -0.952 0.984) 2.133 3.214 ( -1.636 0.952 0.984) 2.133 3.273 ( -0.317 -1.118 0.488) 1.260 3.273 ( -0.317 1.118 0.488) 1.260 3.420 ( -0.536 -1.114 -1.271) 1.774 3.420 ( -0.536 1.114 -1.271) 1.774 3.457 ( -0.654 -0.771 -1.830) 2.091 3.457 ( -0.654 0.771 -1.830) 2.091 3.647 ( 0.956 -0.461 1.263) 1.650 3.647 ( 0.956 0.461 1.263) 1.650 3.679 ( 0.854 -0.616 0.041) 1.054 3.679 ( 0.854 0.616 0.041) 1.054 3.834 ( -0.051 -0.056 -0.663) 0.667 3.834 ( -0.051 0.056 -0.663) 0.667 3.880 ( 0.451 -0.173 -0.302) 0.570 3.880 ( 0.451 0.173 -0.302) 0.570 5.494 ( 0.787 -0.236 -0.050) 0.823 5.494 ( 0.787 0.236 -0.050) 0.823 5.519 ( -0.293 -0.329 0.186) 0.478 5.519 ( -0.293 0.329 0.186) 0.478 5.702 ( -0.485 -0.049 1.701) 1.770 5.702 ( -0.485 0.049 1.701) 1.770 5.707 ( -0.478 -0.002 1.648) 1.716 5.707 ( -0.478 0.002 1.648) 1.716 6.851 ( -0.381 -0.100 0.130) 0.414 6.851 ( -0.381 0.100 0.130) 0.414 6.875 ( 0.467 -0.195 -1.012) 1.131 6.875 ( 0.467 0.195 -1.012) 1.131 7.093 ( 0.007 -0.052 -0.319) 0.323 7.093 ( 0.007 0.052 -0.319) 0.323 7.111 ( -0.014 -0.181 -0.314) 0.363 7.111 ( -0.014 0.181 -0.314) 0.363 8.241 ( 0.498 -0.468 0.061) 0.686 8.241 ( 0.498 0.468 0.061) 0.686 8.326 ( 0.261 -0.262 0.804) 0.885 8.326 ( 0.261 0.262 0.804) 0.885 8.827 ( -0.416 -1.498 2.960) 3.343 8.827 ( -0.416 1.498 2.960) 3.343 8.922 ( -1.516 -1.102 0.635) 1.979 8.922 ( -1.516 1.102 0.635) 1.979 9.555 ( 0.844 -0.523 -0.886) 1.331 9.555 ( 0.844 0.523 -0.886) 1.331 9.593 ( 0.701 -0.342 -1.336) 1.547 9.593 ( 0.701 0.342 -1.336) 1.547 9.692 ( 0.627 -0.194 -0.592) 0.884 9.692 ( 0.627 0.194 -0.592) 0.884 9.721 ( -0.047 -0.040 -0.519) 0.522 9.721 ( -0.047 0.040 -0.519) 0.522 10.448 ( -0.021 -0.366 0.333) 0.495 10.448 ( -0.021 0.366 0.333) 0.495 10.475 ( -0.376 -0.392 -0.726) 0.906 10.475 ( -0.376 0.392 -0.726) 0.906 11.158 ( -1.040 -0.437 3.466) 3.645 11.158 ( -1.040 0.437 3.466) 3.645 11.213 ( -1.424 -0.460 4.052) 4.320 11.213 ( -1.424 0.460 4.052) 4.320 ======================= Grid point 109 (68/84) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.529 -3.063 1.812) 3.598 0.698 ( 0.529 3.063 1.812) 3.598 0.879 ( 3.038 -1.322 -4.433) 5.534 0.879 ( 3.038 1.322 -4.433) 5.534 0.994 ( -4.152 -1.668 4.660) 6.461 0.994 ( -4.152 1.668 4.660) 6.461 1.047 ( -3.310 -1.981 4.902) 6.238 1.047 ( -3.310 1.981 4.902) 6.238 1.167 ( -1.305 -0.397 -2.272) 2.650 1.167 ( -1.305 0.397 -2.272) 2.650 1.290 ( -1.219 -2.682 4.831) 5.658 1.290 ( -1.219 2.682 4.831) 5.658 1.396 ( 1.267 -1.700 1.323) 2.499 1.396 ( 1.267 1.700 1.323) 2.499 1.524 ( -0.863 -2.232 4.014) 4.673 1.524 ( -0.863 2.232 4.014) 4.673 1.792 ( 0.853 -0.176 0.611) 1.064 1.792 ( 0.853 0.176 0.611) 1.064 1.823 ( 0.757 -0.824 -2.242) 2.506 1.823 ( 0.757 0.824 -2.242) 2.506 1.879 ( -0.237 -1.085 1.562) 1.917 1.879 ( -0.237 1.085 1.562) 1.917 1.985 ( -1.699 -0.728 1.378) 2.306 1.985 ( -1.699 0.728 1.378) 2.306 2.022 ( 0.643 -0.781 -0.773) 1.273 2.022 ( 0.643 0.781 -0.773) 1.273 2.098 ( -2.039 -0.238 -3.397) 3.969 2.098 ( -2.039 0.238 -3.397) 3.969 3.209 ( -0.322 -1.223 1.995) 2.362 3.209 ( -0.322 1.223 1.995) 2.362 3.284 ( 1.034 -1.476 0.812) 1.977 3.284 ( 1.034 1.476 0.812) 1.977 3.429 ( 2.080 -0.407 -0.249) 2.134 3.429 ( 2.080 0.407 -0.249) 2.134 3.463 ( 2.112 -0.829 -0.437) 2.311 3.463 ( 2.112 0.829 -0.437) 2.311 3.636 ( -2.516 -0.384 -0.217) 2.554 3.636 ( -2.516 0.384 -0.217) 2.554 3.668 ( -1.606 -0.049 -0.760) 1.777 3.668 ( -1.606 0.049 -0.760) 1.777 3.819 ( -1.024 -0.753 -0.300) 1.306 3.819 ( -1.024 0.753 -0.300) 1.306 3.878 ( -0.419 -0.820 -0.487) 1.042 3.878 ( -0.419 0.820 -0.487) 1.042 5.490 ( -0.574 -0.652 -0.496) 1.000 5.490 ( -0.574 0.652 -0.496) 1.000 5.528 ( 0.717 -0.346 0.300) 0.851 5.528 ( 0.717 0.346 0.300) 0.851 5.705 ( -0.524 -0.023 1.488) 1.578 5.705 ( -0.524 0.023 1.488) 1.578 5.714 ( -0.070 -0.287 1.271) 1.304 5.714 ( -0.070 0.287 1.271) 1.304 6.846 ( -0.230 -0.289 0.215) 0.427 6.846 ( -0.230 0.289 0.215) 0.427 6.879 ( 0.678 -0.137 -0.830) 1.081 6.879 ( 0.678 0.137 -0.830) 1.081 7.088 ( -0.334 -0.010 -0.204) 0.391 7.088 ( -0.334 0.010 -0.204) 0.391 7.107 ( -0.194 -0.161 -0.198) 0.320 7.107 ( -0.194 0.161 -0.198) 0.320 8.245 ( 0.015 -1.155 -0.290) 1.191 8.245 ( 0.015 1.155 -0.290) 1.191 8.339 ( 0.625 -1.035 0.171) 1.221 8.339 ( 0.625 1.035 0.171) 1.221 8.839 ( -0.709 -1.039 2.394) 2.704 8.839 ( -0.709 1.039 2.394) 2.704 8.910 ( -0.596 -0.968 1.696) 2.042 8.910 ( -0.596 0.968 1.696) 2.042 9.571 ( 1.881 -0.259 -1.301) 2.302 9.571 ( 1.881 0.259 -1.301) 2.302 9.603 ( 1.539 -0.121 -1.386) 2.074 9.603 ( 1.539 0.121 -1.386) 2.074 9.686 ( -0.548 -0.154 -0.996) 1.147 9.686 ( -0.548 0.154 -0.996) 1.147 9.705 ( -1.266 -0.017 -0.400) 1.327 9.705 ( -1.266 0.017 -0.400) 1.327 10.450 ( -0.173 -0.337 0.373) 0.531 10.450 ( -0.173 0.337 0.373) 0.531 10.471 ( 0.436 -0.272 -0.268) 0.579 10.471 ( 0.436 0.272 -0.268) 0.579 11.159 ( -1.557 -0.202 3.075) 3.453 11.159 ( -1.557 0.202 3.075) 3.453 11.220 ( -1.207 -0.436 3.768) 3.980 11.220 ( -1.207 0.436 3.768) 3.980 ======================= Grid point 111 (69/84) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.031 -3.505 0.627) 3.561 0.711 ( 0.031 3.505 0.627) 3.561 0.888 ( 0.395 -1.703 -3.516) 3.927 0.888 ( 0.395 1.703 -3.516) 3.927 0.941 ( -4.648 -2.504 3.871) 6.546 0.941 ( -4.648 2.504 3.871) 6.546 1.030 ( -2.174 -0.541 4.396) 4.934 1.030 ( -2.174 0.541 4.396) 4.934 1.139 ( 0.092 -0.747 -0.362) 0.835 1.139 ( 0.092 0.747 -0.362) 0.835 1.339 ( 0.880 -2.009 5.100) 5.552 1.339 ( 0.880 2.009 5.100) 5.552 1.388 ( -0.213 -1.073 -0.591) 1.243 1.388 ( -0.213 1.073 -0.591) 1.243 1.533 ( -1.437 -3.329 2.100) 4.190 1.533 ( -1.437 3.329 2.100) 4.190 1.801 ( 1.117 -0.431 -2.074) 2.395 1.801 ( 1.117 0.431 -2.074) 2.395 1.838 ( 1.063 -0.481 0.649) 1.335 1.838 ( 1.063 0.481 0.649) 1.335 1.895 ( 1.009 -0.446 1.749) 2.068 1.895 ( 1.009 0.446 1.749) 2.068 1.951 ( -2.487 -1.614 -0.139) 2.968 1.951 ( -2.487 1.614 -0.139) 2.968 2.021 ( -0.609 -0.372 -0.072) 0.718 2.021 ( -0.609 0.372 -0.072) 0.718 2.076 ( 0.317 -0.436 1.059) 1.188 2.076 ( 0.317 0.436 1.059) 1.188 3.222 ( -0.559 -0.965 2.829) 3.040 3.222 ( -0.559 0.965 2.829) 3.040 3.309 ( 0.611 -1.091 0.241) 1.274 3.309 ( 0.611 1.091 0.241) 1.274 3.482 ( 3.296 -0.713 0.134) 3.375 3.482 ( 3.296 0.713 0.134) 3.375 3.514 ( 2.182 -0.191 0.573) 2.264 3.514 ( 2.182 0.191 0.573) 2.264 3.575 ( -2.247 -1.006 -1.046) 2.675 3.575 ( -2.247 1.006 -1.046) 2.675 3.614 ( -2.903 -0.168 -1.256) 3.167 3.614 ( -2.903 0.168 -1.256) 3.167 3.800 ( -0.802 -0.966 0.267) 1.284 3.800 ( -0.802 0.966 0.267) 1.284 3.861 ( -0.917 -0.996 -0.226) 1.372 3.861 ( -0.917 0.996 -0.226) 1.372 5.477 ( -0.392 -0.569 -0.342) 0.771 5.477 ( -0.392 0.569 -0.342) 0.771 5.538 ( 0.132 -0.181 0.038) 0.227 5.538 ( 0.132 0.181 0.038) 0.227 5.707 ( -0.427 -0.031 1.267) 1.337 5.707 ( -0.427 0.031 1.267) 1.337 5.720 ( -0.123 -0.472 0.766) 0.908 5.720 ( -0.123 0.472 0.766) 0.908 6.847 ( 0.075 -0.430 0.326) 0.544 6.847 ( 0.075 0.430 0.326) 0.544 6.885 ( 0.661 -0.362 -0.704) 1.032 6.885 ( 0.661 0.362 -0.704) 1.032 7.079 ( -0.463 -0.036 -0.113) 0.478 7.079 ( -0.463 0.036 -0.113) 0.478 7.102 ( -0.186 -0.164 -0.092) 0.264 7.102 ( -0.186 0.164 -0.092) 0.264 8.242 ( 0.113 -1.790 -0.276) 1.815 8.242 ( 0.113 1.790 -0.276) 1.815 8.347 ( 0.252 -1.469 -0.553) 1.590 8.347 ( 0.252 1.469 -0.553) 1.590 8.836 ( -1.251 -0.811 1.685) 2.250 8.836 ( -1.251 0.811 1.685) 2.250 8.927 ( 0.365 -0.951 2.694) 2.880 8.927 ( 0.365 0.951 2.694) 2.880 9.596 ( 2.018 -0.086 -2.463) 3.186 9.596 ( 2.018 0.086 -2.463) 3.186 9.621 ( 1.350 -0.554 -1.796) 2.314 9.621 ( 1.350 0.554 -1.796) 2.314 9.663 ( -0.814 -0.136 -0.658) 1.056 9.663 ( -0.814 0.136 -0.658) 1.056 9.678 ( -1.186 -0.126 0.436) 1.270 9.678 ( -1.186 0.126 0.436) 1.270 10.447 ( -0.366 -0.475 0.083) 0.605 10.447 ( -0.366 0.475 0.083) 0.605 10.484 ( 0.761 -0.406 0.240) 0.895 10.484 ( 0.761 0.406 0.240) 0.895 11.150 ( -1.966 -0.130 2.842) 3.458 11.150 ( -1.966 0.130 2.842) 3.458 11.225 ( -1.228 -0.319 3.424) 3.652 11.225 ( -1.228 0.319 3.424) 3.652 ======================= Grid point 113 (70/84) ======================= q-point: (-0.62 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -2.160 -2.286 1.301) 3.403 0.701 ( -2.160 2.286 1.301) 3.403 0.844 ( -1.938 -1.244 -2.182) 3.172 0.844 ( -1.938 1.244 -2.182) 3.172 0.914 ( -0.534 -2.660 2.491) 3.684 0.914 ( -0.534 2.660 2.491) 3.684 1.023 ( -0.810 -0.851 0.581) 1.311 1.023 ( -0.810 0.851 0.581) 1.311 1.181 ( 2.163 -1.007 4.138) 4.776 1.181 ( 2.163 1.007 4.138) 4.776 1.330 ( -1.767 -2.077 1.696) 3.211 1.330 ( -1.767 2.077 1.696) 3.211 1.430 ( -0.453 -1.746 1.304) 2.226 1.430 ( -0.453 1.746 1.304) 2.226 1.522 ( 0.839 -1.408 1.162) 2.009 1.522 ( 0.839 1.408 1.162) 2.009 1.806 ( -0.390 -0.436 -0.768) 0.965 1.806 ( -0.390 0.436 -0.768) 0.965 1.848 ( 0.532 -0.601 -0.129) 0.813 1.848 ( 0.532 0.601 -0.129) 0.813 1.900 ( -1.609 -0.709 -0.774) 1.921 1.900 ( -1.609 0.709 -0.774) 1.921 1.941 ( 1.076 -0.606 2.164) 2.491 1.941 ( 1.076 0.606 2.164) 2.491 2.030 ( 0.273 -0.194 2.059) 2.086 2.030 ( 0.273 0.194 2.059) 2.086 2.093 ( 1.112 -0.861 1.201) 1.850 2.093 ( 1.112 0.861 1.201) 1.850 3.226 ( -1.371 -0.419 2.709) 3.065 3.226 ( -1.371 0.419 2.709) 3.065 3.298 ( -1.391 -0.359 -0.759) 1.625 3.298 ( -1.391 0.359 -0.759) 1.625 3.467 ( -2.425 -0.138 -2.360) 3.386 3.467 ( -2.425 0.138 -2.360) 3.386 3.510 ( -2.802 -0.464 -2.243) 3.620 3.510 ( -2.802 0.464 -2.243) 3.620 3.579 ( 3.517 -0.930 1.138) 3.812 3.579 ( 3.517 0.930 1.138) 3.812 3.629 ( 2.747 -0.655 1.725) 3.309 3.629 ( 2.747 0.655 1.725) 3.309 3.800 ( 0.348 -0.662 0.756) 1.064 3.800 ( 0.348 0.662 0.756) 1.064 3.848 ( -0.333 -0.700 -0.036) 0.776 3.848 ( -0.333 0.700 -0.036) 0.776 5.473 ( 0.157 -0.410 0.059) 0.443 5.473 ( 0.157 0.410 0.059) 0.443 5.533 ( -0.548 -0.123 -0.350) 0.662 5.533 ( -0.548 0.123 -0.350) 0.662 5.708 ( -0.481 -0.057 1.171) 1.267 5.708 ( -0.481 0.057 1.171) 1.267 5.720 ( -0.517 -0.418 0.581) 0.882 5.720 ( -0.517 0.418 0.581) 0.882 6.853 ( 0.286 -0.440 0.385) 0.651 6.853 ( 0.286 0.440 0.385) 0.651 6.891 ( 0.476 -0.452 -0.686) 0.949 6.891 ( 0.476 0.452 -0.686) 0.949 7.071 ( -0.274 -0.038 -0.096) 0.293 7.071 ( -0.274 0.038 -0.096) 0.293 7.100 ( 0.003 -0.207 -0.065) 0.217 7.100 ( 0.003 0.207 -0.065) 0.217 8.247 ( 0.537 -1.586 0.128) 1.679 8.247 ( 0.537 1.586 0.128) 1.679 8.338 ( -0.568 -1.245 -1.035) 1.716 8.338 ( -0.568 1.245 -1.035) 1.716 8.824 ( -1.419 -0.966 1.736) 2.442 8.824 ( -1.419 0.966 1.736) 2.442 8.956 ( 0.451 -1.000 2.675) 2.891 8.956 ( 0.451 1.000 2.675) 2.891 9.591 ( 0.006 -0.407 -2.922) 2.951 9.591 ( 0.006 0.407 -2.922) 2.951 9.604 ( -0.945 -0.600 -2.232) 2.497 9.604 ( -0.945 0.600 -2.232) 2.497 9.669 ( 1.361 -0.325 0.164) 1.408 9.669 ( 1.361 0.325 0.164) 1.408 9.686 ( 1.076 -0.053 0.593) 1.230 9.686 ( 1.076 0.053 0.593) 1.230 10.438 ( -0.505 -0.514 -0.096) 0.727 10.438 ( -0.505 0.514 -0.096) 0.727 10.498 ( 0.567 -0.463 0.237) 0.770 10.498 ( 0.567 0.463 0.237) 0.770 11.134 ( -2.057 -0.205 2.856) 3.526 11.134 ( -2.057 0.205 2.856) 3.526 11.227 ( -1.442 -0.247 3.286) 3.596 11.227 ( -1.442 0.247 3.286) 3.596 ======================= Grid point 115 (71/84) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.942 -1.328 3.087) 4.466 0.666 ( -2.942 1.328 3.087) 4.466 0.806 ( -0.483 -1.187 -1.692) 2.123 0.806 ( -0.483 1.187 -1.692) 2.123 0.942 ( 1.310 -1.444 0.674) 2.063 0.942 ( 1.310 1.444 0.674) 2.063 1.024 ( 1.171 -1.235 -0.573) 1.796 1.024 ( 1.171 1.235 -0.573) 1.796 1.237 ( 0.015 -1.584 4.563) 4.830 1.237 ( 0.015 1.584 4.563) 4.830 1.326 ( -2.207 -2.306 3.115) 4.460 1.326 ( -2.207 2.306 3.115) 4.460 1.388 ( -1.625 -1.802 -0.409) 2.461 1.388 ( -1.625 1.802 -0.409) 2.461 1.555 ( -0.923 -1.244 2.279) 2.755 1.555 ( -0.923 1.244 2.279) 2.755 1.778 ( -1.413 -0.384 -0.038) 1.465 1.778 ( -1.413 0.384 -0.038) 1.465 1.844 ( -1.094 -0.545 -0.052) 1.223 1.844 ( -1.094 0.545 -0.052) 1.223 1.884 ( -0.273 -0.436 0.208) 0.555 1.884 ( -0.273 0.436 0.208) 0.555 1.965 ( 0.886 -1.266 0.148) 1.552 1.965 ( 0.886 1.266 0.148) 1.552 2.061 ( 1.792 -0.641 2.497) 3.140 2.061 ( 1.792 0.641 2.497) 3.140 2.140 ( 2.532 -1.535 0.498) 3.003 2.140 ( 2.532 1.535 0.498) 3.003 3.221 ( -0.911 -0.039 2.230) 2.410 3.221 ( -0.911 0.039 2.230) 2.410 3.271 ( -0.368 -0.106 -0.499) 0.629 3.271 ( -0.368 0.106 -0.499) 0.629 3.415 ( -1.026 -0.581 -1.884) 2.223 3.415 ( -1.026 0.581 -1.884) 2.223 3.459 ( -0.558 -0.258 -2.115) 2.202 3.459 ( -0.558 0.258 -2.115) 2.202 3.638 ( 1.269 -0.195 0.739) 1.481 3.638 ( 1.269 0.195 0.739) 1.481 3.675 ( 0.878 -0.210 1.124) 1.442 3.675 ( 0.878 0.210 1.124) 1.442 3.817 ( 0.776 -0.358 0.665) 1.083 3.817 ( 0.776 0.358 0.665) 1.083 3.848 ( 0.383 -0.367 -0.552) 0.766 3.848 ( 0.383 0.367 -0.552) 0.766 5.483 ( 0.635 -0.230 0.486) 0.832 5.483 ( 0.635 0.230 0.486) 0.832 5.514 ( -1.016 -0.173 -0.690) 1.240 5.514 ( -1.016 0.173 -0.690) 1.240 5.707 ( -0.743 -0.069 1.282) 1.484 5.707 ( -0.743 0.069 1.282) 1.484 5.713 ( -0.741 -0.172 0.851) 1.141 5.713 ( -0.741 0.172 0.851) 1.141 6.861 ( 0.217 -0.406 0.311) 0.555 6.861 ( 0.217 0.406 0.311) 0.555 6.892 ( 0.257 -0.428 -0.739) 0.892 6.892 ( 0.257 0.428 -0.739) 0.892 7.069 ( 0.183 -0.018 -0.160) 0.244 7.069 ( 0.183 0.018 -0.160) 0.244 7.101 ( 0.227 -0.248 -0.143) 0.365 7.101 ( 0.227 0.248 -0.143) 0.365 8.260 ( 0.443 -0.778 0.496) 1.024 8.260 ( 0.443 0.778 0.496) 1.024 8.312 ( -1.197 -0.683 -0.913) 1.653 8.312 ( -1.197 0.683 -0.913) 1.653 8.813 ( -1.417 -1.368 2.069) 2.857 8.813 ( -1.417 1.368 2.069) 2.857 8.979 ( -0.055 -1.202 2.131) 2.447 8.979 ( -0.055 1.202 2.131) 2.447 9.565 ( -0.702 -0.431 -1.482) 1.695 9.565 ( -0.702 0.431 -1.482) 1.695 9.580 ( 0.496 -0.445 -2.274) 2.370 9.580 ( 0.496 0.445 -2.274) 2.370 9.691 ( 0.704 -0.028 -0.274) 0.756 9.691 ( 0.704 0.028 -0.274) 0.756 9.708 ( 0.964 -0.228 -0.087) 0.994 9.708 ( 0.964 0.228 -0.087) 0.994 10.430 ( -0.221 -0.670 -0.060) 0.708 10.430 ( -0.221 0.670 -0.060) 0.708 10.507 ( 0.346 -0.582 0.011) 0.677 10.507 ( 0.346 0.582 0.011) 0.677 11.122 ( -1.785 -0.359 3.153) 3.641 11.122 ( -1.785 0.359 3.153) 3.641 11.224 ( -1.710 -0.274 3.388) 3.805 11.224 ( -1.710 0.274 3.388) 3.805 ======================= Grid point 117 (72/84) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -2.515 -1.474 4.411) 5.287 0.648 ( -2.515 1.474 4.411) 5.287 0.797 ( 0.363 -2.037 -0.688) 2.181 0.797 ( 0.363 2.037 -0.688) 2.181 0.961 ( 0.483 -0.679 0.925) 1.245 0.961 ( 0.483 0.679 0.925) 1.245 1.053 ( 2.293 -1.115 -0.836) 2.683 1.053 ( 2.293 1.115 -0.836) 2.683 1.263 ( -1.946 -2.547 3.383) 4.660 1.263 ( -1.946 2.547 3.383) 4.660 1.275 ( -3.227 -2.408 2.543) 4.763 1.275 ( -3.227 2.408 2.543) 4.763 1.370 ( -2.609 -1.524 1.596) 3.417 1.370 ( -2.609 1.524 1.596) 3.417 1.532 ( -1.951 -1.613 2.284) 3.409 1.532 ( -1.951 1.613 2.284) 3.409 1.763 ( -0.948 -0.542 0.984) 1.470 1.763 ( -0.948 0.542 0.984) 1.470 1.806 ( -2.388 -0.688 -0.241) 2.496 1.806 ( -2.388 0.688 -0.241) 2.496 1.896 ( 0.829 -1.599 0.907) 2.017 1.896 ( 0.829 1.599 0.907) 2.017 1.986 ( 1.387 -1.089 -0.418) 1.812 1.986 ( 1.387 1.089 -0.418) 1.812 2.118 ( 2.110 -1.140 0.536) 2.458 2.118 ( 2.110 1.140 0.536) 2.458 2.174 ( 2.194 -0.966 -2.168) 3.232 2.174 ( 2.194 0.966 -2.168) 3.232 3.233 ( 0.188 -0.129 2.224) 2.236 3.233 ( 0.188 0.129 2.224) 2.236 3.281 ( 1.284 -0.259 -0.096) 1.313 3.281 ( 1.284 0.259 -0.096) 1.313 3.415 ( 2.020 -0.602 -0.275) 2.126 3.415 ( 2.020 0.602 -0.275) 2.126 3.463 ( 2.361 -0.607 -0.731) 2.545 3.463 ( 2.361 0.607 -0.731) 2.545 3.626 ( -2.273 -1.032 -0.670) 2.585 3.626 ( -2.273 1.032 -0.670) 2.585 3.675 ( -1.450 -0.462 -0.230) 1.539 3.675 ( -1.450 0.462 -0.230) 1.539 3.831 ( 0.329 -0.091 -0.352) 0.491 3.831 ( 0.329 0.091 -0.352) 0.491 3.850 ( 0.633 -0.110 -0.666) 0.925 3.850 ( 0.633 0.110 -0.666) 0.925 5.487 ( -0.884 -0.267 -0.597) 1.100 5.487 ( -0.884 0.267 -0.597) 1.100 5.504 ( 0.662 -0.240 0.696) 0.990 5.504 ( 0.662 0.240 0.696) 0.990 5.701 ( -0.953 -0.063 1.478) 1.759 5.701 ( -0.953 0.063 1.478) 1.759 5.708 ( -0.722 -0.151 1.302) 1.496 5.708 ( -0.722 0.151 1.302) 1.496 6.864 ( -0.043 -0.377 0.118) 0.397 6.864 ( -0.043 0.377 0.118) 0.397 6.889 ( 0.109 -0.378 -0.817) 0.907 6.889 ( 0.109 0.378 -0.817) 0.907 7.075 ( 0.608 -0.057 -0.266) 0.666 7.075 ( 0.608 0.057 -0.266) 0.666 7.105 ( 0.361 -0.242 -0.276) 0.515 7.105 ( 0.361 0.242 -0.276) 0.515 8.257 ( -1.020 -0.883 -0.417) 1.412 8.257 ( -1.020 0.883 -0.417) 1.412 8.296 ( -0.201 -0.260 0.848) 0.909 8.296 ( -0.201 0.260 0.848) 0.909 8.806 ( -1.194 -1.734 2.411) 3.201 8.806 ( -1.194 1.734 2.411) 3.201 8.985 ( -0.797 -1.377 1.357) 2.091 8.985 ( -0.797 1.377 1.357) 2.091 9.550 ( 0.024 -0.080 -0.820) 0.824 9.550 ( 0.024 0.080 -0.820) 0.824 9.583 ( 1.155 -0.969 -1.432) 2.079 9.583 ( 1.155 0.969 -1.432) 2.079 9.689 ( -0.283 -0.092 -0.779) 0.834 9.689 ( -0.283 0.092 -0.779) 0.834 9.716 ( 0.346 -0.162 -0.701) 0.799 9.716 ( 0.346 0.162 -0.701) 0.799 10.431 ( 0.285 -0.844 0.126) 0.900 10.431 ( 0.285 0.844 0.126) 0.900 10.511 ( 0.122 -0.698 -0.268) 0.757 10.511 ( 0.122 0.698 -0.268) 0.757 11.120 ( -1.291 -0.536 3.584) 3.847 11.120 ( -1.291 0.536 3.584) 3.847 11.218 ( -1.895 -0.350 3.628) 4.108 11.218 ( -1.895 0.350 3.628) 4.108 ======================= Grid point 119 (73/84) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -2.724 -1.994 4.704) 5.790 0.635 ( -2.724 1.994 4.704) 5.790 0.811 ( 0.862 -3.367 1.825) 3.926 0.811 ( 0.862 3.367 1.825) 3.926 0.980 ( -0.010 -0.545 2.365) 2.427 0.980 ( -0.010 0.545 2.365) 2.427 1.087 ( 1.203 -0.325 0.713) 1.436 1.087 ( 1.203 0.325 0.713) 1.436 1.197 ( -3.655 -0.987 1.321) 4.010 1.197 ( -3.655 0.987 1.321) 4.010 1.280 ( -0.546 -1.998 1.961) 2.853 1.280 ( -0.546 1.998 1.961) 2.853 1.339 ( -3.069 -2.667 4.502) 6.067 1.339 ( -3.069 2.667 4.502) 6.067 1.521 ( -1.177 -1.388 1.025) 2.089 1.521 ( -1.177 1.388 1.025) 2.089 1.754 ( -0.969 -0.789 0.455) 1.330 1.754 ( -0.969 0.789 0.455) 1.330 1.780 ( -0.003 -0.296 0.762) 0.818 1.780 ( -0.003 0.296 0.762) 0.818 1.908 ( -0.683 -1.953 1.007) 2.301 1.908 ( -0.683 1.953 1.007) 2.301 2.007 ( 1.427 -1.197 -0.937) 2.085 2.007 ( 1.427 1.197 -0.937) 2.085 2.117 ( -0.572 -2.202 -2.822) 3.624 2.117 ( -0.572 2.202 -2.822) 3.624 2.206 ( 3.081 -0.710 -3.511) 4.725 2.206 ( 3.081 0.710 -3.511) 4.725 3.250 ( -0.545 -0.486 2.263) 2.378 3.250 ( -0.545 0.486 2.263) 2.378 3.295 ( 0.187 -0.361 -0.434) 0.595 3.295 ( 0.187 0.361 -0.434) 0.595 3.479 ( 4.223 -0.604 0.714) 4.325 3.479 ( 4.223 0.604 0.714) 4.325 3.518 ( 1.419 -0.589 0.171) 1.545 3.518 ( 1.419 0.589 0.171) 1.545 3.570 ( -0.786 -1.159 -1.252) 1.878 3.570 ( -0.786 1.159 -1.252) 1.878 3.621 ( -3.210 -0.567 -1.346) 3.526 3.621 ( -3.210 0.567 -1.346) 3.526 3.827 ( 0.245 -0.565 -1.037) 1.206 3.827 ( 0.245 0.565 -1.037) 1.206 3.862 ( 0.803 -0.519 -0.292) 1.000 3.862 ( 0.803 0.519 -0.292) 1.000 5.472 ( -0.258 -0.544 -0.212) 0.638 5.472 ( -0.258 0.544 -0.212) 0.638 5.520 ( 0.378 -0.515 0.643) 0.907 5.520 ( 0.378 0.515 0.643) 0.907 5.697 ( -0.834 -0.080 1.702) 1.896 5.697 ( -0.834 0.080 1.702) 1.896 5.706 ( -0.748 -0.239 1.589) 1.773 5.706 ( -0.748 0.239 1.589) 1.773 6.862 ( -0.227 -0.330 -0.036) 0.402 6.862 ( -0.227 0.330 -0.036) 0.402 6.884 ( 0.048 -0.351 -0.913) 0.980 6.884 ( 0.048 0.351 -0.913) 0.980 7.085 ( 0.678 -0.106 -0.362) 0.776 7.085 ( 0.678 0.106 -0.362) 0.776 7.109 ( 0.364 -0.209 -0.376) 0.564 7.109 ( 0.364 0.209 -0.376) 0.564 8.235 ( -0.752 -1.555 -0.233) 1.743 8.235 ( -0.752 1.555 -0.233) 1.743 8.306 ( 0.030 -0.761 1.449) 1.636 8.306 ( 0.030 0.761 1.449) 1.636 8.806 ( -0.896 -1.884 2.641) 3.366 8.806 ( -0.896 1.884 2.641) 3.366 8.973 ( -1.378 -1.396 0.676) 2.075 8.973 ( -1.378 1.396 0.676) 2.075 9.550 ( 0.256 -0.370 -0.321) 0.553 9.550 ( 0.256 0.370 -0.321) 0.553 9.593 ( 0.817 -1.039 -0.886) 1.592 9.593 ( 0.817 1.039 -0.886) 1.592 9.677 ( -0.043 -0.104 -0.978) 0.984 9.677 ( -0.043 0.104 -0.978) 0.984 9.715 ( 0.428 -0.186 -1.005) 1.108 9.715 ( 0.428 0.186 -1.005) 1.108 10.440 ( 0.379 -0.886 0.215) 0.987 10.440 ( 0.379 0.886 0.215) 0.987 10.506 ( -0.309 -0.742 -0.574) 0.988 10.506 ( -0.309 0.742 -0.574) 0.988 11.129 ( -0.861 -0.667 3.877) 4.027 11.129 ( -0.861 0.667 3.877) 4.027 11.212 ( -1.892 -0.400 3.887) 4.342 11.212 ( -1.892 0.400 3.887) 4.342 ======================= Grid point 121 (74/84) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -1.159 -3.176 4.377) 5.531 0.632 ( -1.159 3.176 4.377) 5.531 0.854 ( 1.937 -3.064 1.295) 3.849 0.854 ( 1.937 3.064 1.295) 3.849 0.987 ( -1.837 -1.703 4.523) 5.170 0.987 ( -1.837 1.703 4.523) 5.170 1.090 ( -1.878 -0.579 2.710) 3.348 1.090 ( -1.878 0.579 2.710) 3.348 1.190 ( 1.721 -2.121 -1.165) 2.970 1.190 ( 1.721 2.121 -1.165) 2.970 1.288 ( -0.751 -1.742 2.673) 3.277 1.288 ( -0.751 1.742 2.673) 3.277 1.321 ( -2.530 -1.729 5.244) 6.073 1.321 ( -2.530 1.729 5.244) 6.073 1.510 ( -1.086 -2.376 2.204) 3.418 1.510 ( -1.086 2.376 2.204) 3.418 1.746 ( 0.511 -0.517 -0.484) 0.873 1.746 ( 0.511 0.517 -0.484) 0.873 1.802 ( 0.660 -1.069 1.550) 1.995 1.802 ( 0.660 1.069 1.550) 1.995 1.890 ( -1.424 -1.752 0.374) 2.288 1.890 ( -1.424 1.752 0.374) 2.288 2.013 ( -0.240 -1.766 -1.004) 2.045 2.013 ( -0.240 1.766 -1.004) 2.045 2.084 ( -0.058 -1.555 -3.479) 3.811 2.084 ( -0.058 1.555 -3.479) 3.811 2.210 ( 0.860 -1.392 -4.952) 5.215 2.210 ( 0.860 1.392 -4.952) 5.215 3.242 ( -1.909 -0.938 1.442) 2.570 3.242 ( -1.909 0.938 1.442) 2.570 3.284 ( -0.887 -0.780 -0.116) 1.186 3.284 ( -0.887 0.780 -0.116) 1.186 3.464 ( -2.648 -1.428 -2.149) 3.697 3.464 ( -2.648 1.428 -2.149) 3.697 3.510 ( -2.487 -0.402 -2.058) 3.253 3.510 ( -2.487 0.402 -2.058) 3.253 3.593 ( 3.112 -1.010 1.146) 3.467 3.593 ( 3.112 1.010 1.146) 3.467 3.635 ( 3.275 -0.293 1.038) 3.448 3.635 ( 3.275 0.293 1.038) 3.448 3.831 ( 0.804 -0.603 -0.816) 1.294 3.831 ( 0.804 0.603 -0.816) 1.294 3.872 ( 0.583 -0.514 -0.229) 0.810 3.872 ( 0.583 0.514 -0.229) 0.810 5.476 ( 0.696 -0.681 0.139) 0.984 5.476 ( 0.696 0.681 0.139) 0.984 5.525 ( -0.250 -0.646 0.311) 0.760 5.525 ( -0.250 0.646 0.311) 0.760 5.698 ( -0.589 -0.085 1.810) 1.905 5.698 ( -0.589 0.085 1.810) 1.905 5.705 ( -0.727 -0.165 1.706) 1.861 5.705 ( -0.727 0.165 1.706) 1.861 6.857 ( -0.317 -0.254 0.012) 0.407 6.857 ( -0.317 0.254 0.012) 0.407 6.878 ( 0.158 -0.349 -1.035) 1.103 6.878 ( 0.158 0.349 -1.035) 1.103 7.092 ( 0.403 -0.103 -0.389) 0.570 7.092 ( 0.403 0.103 -0.389) 0.570 7.112 ( 0.224 -0.192 -0.386) 0.485 7.112 ( 0.224 0.192 -0.386) 0.485 8.231 ( 0.262 -1.570 0.169) 1.600 8.231 ( 0.262 1.570 0.169) 1.600 8.317 ( -0.004 -1.041 1.257) 1.633 8.317 ( -0.004 1.041 1.257) 1.633 8.814 ( -0.640 -1.808 2.841) 3.428 8.814 ( -0.640 1.808 2.841) 3.428 8.948 ( -1.664 -1.293 0.378) 2.142 8.948 ( -1.664 1.293 0.378) 2.142 9.551 ( 0.230 -0.608 -0.420) 0.774 9.551 ( 0.230 0.608 -0.420) 0.774 9.595 ( 0.245 -0.688 -1.084) 1.307 9.595 ( 0.245 0.688 -1.084) 1.307 9.679 ( 0.928 -0.068 -0.614) 1.115 9.679 ( 0.928 0.068 -0.614) 1.115 9.719 ( 0.656 -0.203 -0.796) 1.051 9.719 ( 0.656 0.203 -0.796) 1.051 10.446 ( 0.120 -0.730 0.203) 0.767 10.446 ( 0.120 0.730 0.203) 0.767 10.492 ( -0.643 -0.660 -0.778) 1.206 10.492 ( -0.643 0.660 -0.778) 1.206 11.145 ( -0.753 -0.650 3.826) 3.953 11.145 ( -0.753 0.650 3.826) 3.953 11.210 ( -1.706 -0.421 4.065) 4.429 11.210 ( -1.706 0.421 4.065) 4.429 ======================= Grid point 123 (75/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 1.492 0.000 -5.852) 6.040 0.722 ( -1.492 0.000 5.852) 6.040 0.803 ( 1.097 0.000 -3.634) 3.796 0.803 ( -1.097 0.000 3.634) 3.796 1.057 ( 0.349 0.000 -0.428) 0.552 1.057 ( -0.349 0.000 0.428) 0.552 1.137 ( 0.084 0.000 -0.086) 0.120 1.137 ( -0.084 0.000 0.086) 0.120 1.146 ( 0.852 0.000 -2.770) 2.898 1.146 ( -0.852 0.000 2.770) 2.898 1.345 ( 2.113 0.000 -2.194) 3.046 1.345 ( -2.113 0.000 2.194) 3.046 1.384 ( -0.386 0.000 -1.530) 1.578 1.384 ( 0.386 0.000 1.530) 1.578 1.563 ( 1.001 0.000 -1.781) 2.043 1.563 ( -1.001 0.000 1.781) 2.043 1.786 ( -0.454 0.000 -1.795) 1.852 1.786 ( 0.454 0.000 1.795) 1.852 1.793 ( -1.560 0.000 -0.761) 1.735 1.793 ( 1.560 0.000 0.761) 1.735 1.878 ( 0.094 0.000 -2.464) 2.466 1.878 ( -0.094 0.000 2.464) 2.466 2.010 ( -0.784 0.000 -2.947) 3.050 2.010 ( 0.784 0.000 2.947) 3.050 2.052 ( 1.009 0.000 -2.699) 2.881 2.052 ( -1.009 0.000 2.699) 2.881 2.072 ( -0.665 0.000 -4.026) 4.080 2.072 ( 0.665 0.000 4.026) 4.080 3.218 ( 0.855 0.000 -0.676) 1.090 3.218 ( -0.855 0.000 0.676) 1.090 3.286 ( 1.026 0.000 -0.874) 1.348 3.286 ( -1.026 0.000 0.874) 1.348 3.399 ( -0.874 0.000 -0.919) 1.268 3.399 ( 0.874 0.000 0.919) 1.268 3.445 ( 0.380 0.000 -0.640) 0.744 3.445 ( -0.380 0.000 0.640) 0.744 3.662 ( -0.745 0.000 -0.611) 0.963 3.662 ( 0.745 0.000 0.611) 0.963 3.677 ( -0.339 0.000 -0.765) 0.837 3.677 ( 0.339 0.000 0.765) 0.837 3.827 ( -0.767 0.000 0.080) 0.772 3.827 ( 0.767 0.000 -0.080) 0.772 3.877 ( -0.770 0.000 0.196) 0.794 3.877 ( 0.770 0.000 -0.196) 0.794 5.492 ( -1.265 0.000 -0.205) 1.281 5.492 ( 1.265 0.000 0.205) 1.281 5.521 ( -1.037 0.000 -0.268) 1.071 5.521 ( 1.037 0.000 0.268) 1.071 5.720 ( -0.016 0.000 -0.066) 0.068 5.720 ( 0.016 0.000 0.066) 0.068 5.723 ( -0.210 0.000 -0.031) 0.212 5.723 ( 0.210 0.000 0.031) 0.212 6.856 ( 0.680 0.000 -0.583) 0.896 6.856 ( -0.680 0.000 0.583) 0.896 6.860 ( 0.329 0.000 -0.680) 0.756 6.860 ( -0.329 0.000 0.680) 0.756 7.089 ( -0.002 0.000 -0.006) 0.006 7.089 ( 0.002 0.000 0.006) 0.006 7.108 ( 0.006 0.000 -0.197) 0.197 7.108 ( -0.006 0.000 0.197) 0.197 8.240 ( -1.340 0.000 -0.486) 1.426 8.240 ( 1.340 0.000 0.486) 1.426 8.336 ( -1.080 0.000 -0.263) 1.111 8.336 ( 1.080 0.000 0.263) 1.111 8.859 ( 0.074 0.000 -1.501) 1.502 8.859 ( -0.074 0.000 1.501) 1.502 8.926 ( 0.213 0.000 -1.136) 1.156 8.926 ( -0.213 0.000 1.136) 1.156 9.546 ( -0.127 0.000 -0.406) 0.426 9.546 ( 0.127 0.000 0.406) 0.426 9.579 ( -0.377 0.000 -0.237) 0.446 9.579 ( 0.377 0.000 0.237) 0.446 9.686 ( 0.052 0.000 -0.138) 0.148 9.686 ( -0.052 0.000 0.138) 0.148 9.716 ( -0.048 0.000 -0.023) 0.053 9.716 ( 0.048 0.000 0.023) 0.053 10.457 ( 0.159 0.000 -0.630) 0.650 10.457 ( -0.159 0.000 0.630) 0.650 10.462 ( 0.005 0.000 -0.732) 0.732 10.462 ( -0.005 0.000 0.732) 0.732 11.192 ( -0.082 0.000 -0.365) 0.374 11.192 ( 0.082 0.000 0.365) 0.374 11.255 ( 0.143 0.000 -0.392) 0.417 11.255 ( -0.143 0.000 0.392) 0.417 ======================= Grid point 125 (76/84) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 2.481 0.000 -6.533) 6.989 0.717 ( -2.186 0.000 3.147) 3.832 0.814 ( 1.891 0.000 -3.602) 4.068 0.846 ( 0.997 0.000 4.077) 4.197 1.032 ( -3.034 0.000 1.626) 3.442 1.041 ( -1.527 0.000 -0.187) 1.538 1.116 ( -0.189 0.000 -3.046) 3.052 1.124 ( -1.828 0.000 1.139) 2.154 1.142 ( -3.225 0.000 5.428) 6.314 1.142 ( 1.217 0.000 -1.444) 1.889 1.342 ( 1.242 0.000 0.686) 1.419 1.345 ( 0.780 0.000 -0.721) 1.062 1.380 ( 0.835 0.000 -4.786) 4.858 1.396 ( -0.886 0.000 1.213) 1.502 1.548 ( -1.781 0.000 0.926) 2.007 1.563 ( 1.219 0.000 -3.895) 4.082 1.750 ( -0.198 0.000 -1.594) 1.606 1.754 ( -0.140 0.000 -1.929) 1.934 1.826 ( 0.951 0.000 1.025) 1.398 1.833 ( 1.738 0.000 -1.164) 2.092 1.861 ( 0.515 0.000 -0.999) 1.124 1.893 ( 0.643 0.000 2.284) 2.373 1.978 ( -1.388 0.000 -1.846) 2.310 2.033 ( -0.563 0.000 -0.345) 0.660 2.036 ( -1.797 0.000 0.074) 1.798 2.054 ( -1.451 0.000 5.283) 5.478 2.068 ( 1.507 0.000 2.762) 3.146 2.123 ( 0.260 0.000 5.247) 5.253 3.233 ( 0.931 0.000 1.905) 2.120 3.249 ( 2.424 0.000 -0.339) 2.447 3.282 ( -0.402 0.000 1.287) 1.348 3.303 ( 1.332 0.000 -1.040) 1.690 3.412 ( 2.495 0.000 0.534) 2.552 3.447 ( 2.741 0.000 1.563) 3.155 3.475 ( 2.862 0.000 1.599) 3.278 3.475 ( 2.762 0.000 0.698) 2.848 3.607 ( -3.857 0.000 -1.405) 4.105 3.637 ( -2.903 0.000 -1.703) 3.365 3.643 ( -2.485 0.000 -0.277) 2.500 3.657 ( -2.602 0.000 -0.841) 2.734 3.810 ( -1.174 0.000 0.372) 1.231 3.834 ( -0.031 0.000 0.229) 0.231 3.857 ( -1.364 0.000 0.008) 1.364 3.881 ( -0.143 0.000 -0.297) 0.329 5.470 ( -0.793 0.000 -0.380) 0.880 5.500 ( -0.949 0.000 -0.350) 1.011 5.514 ( 1.005 0.000 -0.259) 1.037 5.537 ( 0.547 0.000 -0.016) 0.548 5.718 ( -0.015 0.000 -0.238) 0.239 5.720 ( 0.023 0.000 -0.101) 0.103 5.721 ( -0.015 0.000 -0.222) 0.222 5.728 ( 0.319 0.000 -0.255) 0.409 6.851 ( -0.421 0.000 0.732) 0.844 6.861 ( 0.409 0.000 -0.595) 0.722 6.862 ( -0.114 0.000 0.825) 0.833 6.868 ( 0.823 0.000 -0.452) 0.939 7.086 ( -0.350 0.000 0.101) 0.364 7.086 ( -0.358 0.000 0.125) 0.379 7.105 ( -0.169 0.000 -0.043) 0.175 7.108 ( -0.229 0.000 0.325) 0.398 8.216 ( -0.668 0.000 -0.612) 0.906 8.267 ( 1.225 0.000 0.060) 1.226 8.312 ( -0.990 0.000 -0.829) 1.291 8.350 ( 0.533 0.000 -0.578) 0.786 8.844 ( 0.017 0.000 -2.082) 2.082 8.862 ( -0.467 0.000 0.652) 0.802 8.935 ( 1.108 0.000 -0.166) 1.121 8.944 ( 0.588 0.000 2.121) 2.201 9.548 ( 0.818 0.000 -0.794) 1.140 9.559 ( 1.034 0.000 -0.027) 1.034 9.576 ( 0.265 0.000 -0.599) 0.655 9.593 ( 1.024 0.000 -0.093) 1.028 9.674 ( -1.021 0.000 -0.110) 1.027 9.675 ( -0.790 0.000 -0.256) 0.831 9.705 ( -1.190 0.000 0.336) 1.237 9.708 ( -0.959 0.000 0.521) 1.091 10.449 ( -0.140 0.000 -0.807) 0.819 10.455 ( -0.378 0.000 0.583) 0.695 10.471 ( 0.897 0.000 -0.073) 0.900 10.479 ( 0.616 0.000 1.184) 1.334 11.184 ( -0.408 0.000 -0.682) 0.795 11.191 ( -0.444 0.000 0.028) 0.445 11.254 ( 0.272 0.000 -0.673) 0.726 11.256 ( 0.056 0.000 0.050) 0.076 ======================= Grid point 126 (77/84) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.708 0.000 2.429) 2.530 0.711 ( 3.098 0.000 -5.509) 6.321 0.798 ( 0.364 0.000 -4.928) 4.941 0.853 ( -2.640 0.000 1.228) 2.911 0.984 ( -3.908 0.000 3.437) 5.204 1.008 ( -1.992 0.000 0.249) 2.008 1.073 ( -3.929 0.000 0.269) 3.938 1.088 ( -2.896 0.000 0.774) 2.998 1.161 ( 3.139 0.000 1.972) 3.707 1.190 ( 3.595 0.000 2.543) 4.404 1.333 ( -0.566 0.000 -4.869) 4.902 1.347 ( -0.246 0.000 -1.737) 1.754 1.390 ( 3.983 0.000 -1.286) 4.185 1.421 ( 1.617 0.000 2.824) 3.254 1.520 ( -1.857 0.000 1.882) 2.644 1.537 ( 0.036 0.000 -5.196) 5.196 1.764 ( 2.488 0.000 -1.088) 2.715 1.766 ( 2.580 0.000 -1.365) 2.919 1.818 ( -0.748 0.000 -1.852) 1.997 1.825 ( 0.307 0.000 -3.135) 3.150 1.901 ( 1.864 0.000 0.100) 1.867 1.934 ( -1.692 0.000 1.759) 2.441 1.946 ( 0.717 0.000 2.514) 2.614 1.993 ( -2.111 0.000 1.192) 2.424 2.029 ( -0.161 0.000 1.719) 1.727 2.083 ( -0.325 0.000 5.140) 5.150 2.112 ( 0.618 0.000 2.866) 2.932 2.141 ( -2.272 0.000 3.832) 4.455 3.261 ( 0.037 0.000 2.063) 2.063 3.279 ( 1.114 0.000 -1.268) 1.688 3.284 ( -0.790 0.000 1.444) 1.646 3.304 ( -0.154 0.000 -1.868) 1.874 3.482 ( 1.897 0.000 0.783) 2.053 3.489 ( -0.800 0.000 -0.041) 0.801 3.506 ( -0.894 0.000 -0.569) 1.059 3.549 ( -2.692 0.000 -1.760) 3.216 3.549 ( 1.846 0.000 1.118) 2.158 3.573 ( 1.736 0.000 1.223) 2.123 3.581 ( -3.066 0.000 -1.199) 3.292 3.611 ( 1.078 0.000 0.675) 1.272 3.799 ( -0.349 0.000 0.836) 0.906 3.833 ( -0.229 0.000 0.363) 0.430 3.836 ( -0.943 0.000 0.383) 1.018 3.870 ( -0.765 0.000 -0.169) 0.783 5.461 ( 0.050 0.000 -0.105) 0.116 5.485 ( -0.358 0.000 -0.149) 0.388 5.522 ( 0.232 0.000 -0.707) 0.744 5.539 ( -0.188 0.000 -0.433) 0.472 5.717 ( 0.145 0.000 -0.326) 0.357 5.719 ( 0.083 0.000 -0.255) 0.268 5.719 ( 0.094 0.000 -0.227) 0.246 5.730 ( 0.170 0.000 -0.414) 0.448 6.853 ( -0.069 0.000 0.858) 0.860 6.864 ( 0.443 0.000 -0.534) 0.693 6.868 ( 0.017 0.000 0.879) 0.879 6.879 ( 0.657 0.000 -0.476) 0.811 7.079 ( -0.539 0.000 0.141) 0.557 7.079 ( -0.552 0.000 0.188) 0.583 7.102 ( -0.182 0.000 0.027) 0.184 7.105 ( -0.342 0.000 0.373) 0.506 8.212 ( 0.550 0.000 -0.224) 0.594 8.284 ( 0.641 0.000 -0.225) 0.680 8.293 ( -0.246 0.000 -0.862) 0.896 8.346 ( -0.202 0.000 -1.283) 1.299 8.832 ( 0.369 0.000 -1.959) 1.993 8.855 ( -0.735 0.000 0.498) 0.888 8.959 ( 1.510 0.000 0.000) 1.510 8.973 ( 0.638 0.000 2.167) 2.259 9.556 ( 0.677 0.000 -1.277) 1.445 9.570 ( 0.200 0.000 -1.081) 1.100 9.572 ( -0.161 0.000 -1.018) 1.031 9.606 ( 0.309 0.000 -0.655) 0.724 9.659 ( -0.374 0.000 0.421) 0.563 9.666 ( 0.024 0.000 0.324) 0.325 9.691 ( -0.506 0.000 1.091) 1.203 9.698 ( -0.658 0.000 1.106) 1.287 10.440 ( -0.173 0.000 -0.808) 0.827 10.450 ( -0.680 0.000 0.516) 0.854 10.488 ( 0.887 0.000 -0.017) 0.887 10.497 ( 0.373 0.000 1.128) 1.188 11.169 ( -0.453 0.000 -0.817) 0.934 11.178 ( -0.806 0.000 -0.160) 0.822 11.255 ( 0.356 0.000 -0.709) 0.793 11.257 ( 0.162 0.000 -0.114) 0.198 ======================= Grid point 127 (78/84) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 1.683 0.000 -4.196) 4.521 0.721 ( -0.556 0.000 2.190) 2.260 0.770 ( 0.685 0.000 -4.348) 4.402 0.797 ( -3.749 0.000 1.463) 4.024 0.957 ( -1.849 0.000 3.133) 3.638 0.976 ( -1.405 0.000 -0.224) 1.423 1.014 ( -2.640 0.000 1.787) 3.188 1.041 ( -2.156 0.000 -0.340) 2.182 1.250 ( 4.570 0.000 0.521) 4.600 1.282 ( 3.449 0.000 1.495) 3.759 1.309 ( 1.158 0.000 -1.217) 1.680 1.344 ( -0.356 0.000 2.139) 2.168 1.415 ( 0.544 0.000 -5.800) 5.826 1.418 ( -2.885 0.000 0.409) 2.914 1.532 ( 3.288 0.000 -1.208) 3.502 1.549 ( 2.270 0.000 2.354) 3.270 1.787 ( -0.062 0.000 -1.579) 1.580 1.800 ( 0.594 0.000 -1.399) 1.520 1.815 ( 2.513 0.000 -0.664) 2.600 1.818 ( 2.389 0.000 -2.154) 3.216 1.881 ( -1.332 0.000 0.103) 1.336 1.912 ( -3.033 0.000 0.211) 3.040 1.972 ( 1.017 0.000 0.972) 1.406 1.980 ( -1.730 0.000 1.583) 2.345 2.069 ( 1.258 0.000 2.196) 2.531 2.105 ( -2.137 0.000 3.812) 4.371 2.122 ( -0.702 0.000 3.193) 3.269 2.139 ( 0.815 0.000 1.174) 1.429 3.262 ( -1.182 0.000 1.374) 1.813 3.268 ( -0.817 0.000 -1.598) 1.795 3.272 ( -1.642 0.000 1.294) 2.090 3.274 ( -0.946 0.000 -1.745) 1.984 3.427 ( -2.267 0.000 -1.718) 2.845 3.429 ( -3.103 0.000 -1.024) 3.268 3.463 ( -2.712 0.000 -1.661) 3.181 3.479 ( -3.599 0.000 -1.449) 3.880 3.589 ( 3.909 0.000 1.337) 4.132 3.627 ( 2.400 0.000 1.177) 2.673 3.647 ( 3.068 0.000 1.533) 3.430 3.667 ( 2.320 0.000 1.216) 2.620 3.810 ( 0.591 0.000 1.035) 1.192 3.832 ( -0.182 0.000 0.913) 0.931 3.832 ( -0.072 0.000 -0.016) 0.074 3.853 ( -0.799 0.000 -0.281) 0.847 5.470 ( 0.785 0.000 0.453) 0.907 5.486 ( 0.345 0.000 0.303) 0.459 5.513 ( -0.489 0.000 -0.903) 1.027 5.524 ( -0.805 0.000 -0.848) 1.169 5.718 ( 0.165 0.000 -0.229) 0.282 5.719 ( 0.066 0.000 -0.188) 0.199 5.720 ( 0.200 0.000 -0.166) 0.260 5.728 ( -0.075 0.000 -0.307) 0.316 6.860 ( 0.077 0.000 0.836) 0.840 6.867 ( 0.330 0.000 -0.565) 0.654 6.876 ( 0.058 0.000 0.835) 0.837 6.884 ( 0.334 0.000 -0.581) 0.670 7.071 ( -0.418 0.000 0.096) 0.429 7.071 ( -0.436 0.000 0.128) 0.454 7.100 ( -0.041 0.000 -0.042) 0.058 7.102 ( -0.297 0.000 0.332) 0.445 8.232 ( 1.508 0.000 0.415) 1.564 8.285 ( -0.281 0.000 -0.325) 0.429 8.291 ( 0.499 0.000 -0.394) 0.636 8.326 ( -0.772 0.000 -1.414) 1.611 8.828 ( 0.747 0.000 -1.627) 1.791 8.844 ( -0.949 0.000 0.741) 1.204 8.985 ( 1.421 0.000 -0.374) 1.469 8.996 ( 0.099 0.000 1.724) 1.727 9.554 ( -0.506 0.000 -1.175) 1.280 9.555 ( 0.407 0.000 -0.975) 1.057 9.556 ( -0.732 0.000 -0.558) 0.920 9.588 ( -1.349 0.000 -0.520) 1.446 9.672 ( 0.959 0.000 0.587) 1.125 9.679 ( 0.778 0.000 0.424) 0.886 9.701 ( 0.380 0.000 0.934) 1.009 9.702 ( 0.138 0.000 0.767) 0.779 10.431 ( -0.036 0.000 -0.782) 0.783 10.439 ( -0.884 0.000 0.450) 0.992 10.501 ( 0.617 0.000 -0.230) 0.659 10.507 ( -0.116 0.000 0.844) 0.852 11.157 ( -0.192 0.000 -0.664) 0.691 11.163 ( -0.716 0.000 -0.057) 0.718 11.256 ( 0.340 0.000 -0.512) 0.615 11.259 ( 0.048 0.000 -0.031) 0.058 ======================= Grid point 128 (79/84) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 1.515 0.000 -2.756) 3.145 0.719 ( -1.515 0.000 2.756) 3.145 0.762 ( 1.838 0.000 -3.034) 3.547 0.762 ( -1.838 0.000 3.034) 3.547 0.958 ( 0.036 0.000 -1.266) 1.267 0.958 ( -0.036 0.000 1.266) 1.267 1.010 ( -0.242 0.000 -1.924) 1.939 1.010 ( 0.242 0.000 1.924) 1.939 1.314 ( -1.323 0.000 -0.196) 1.338 1.314 ( 1.323 0.000 0.196) 1.338 1.334 ( 2.653 0.000 -2.541) 3.673 1.334 ( -2.653 0.000 2.541) 3.673 1.384 ( 0.986 0.000 -1.958) 2.193 1.384 ( -0.986 0.000 1.958) 2.193 1.581 ( 1.343 0.000 -1.199) 1.801 1.581 ( -1.343 0.000 1.199) 1.801 1.785 ( -0.851 0.000 0.221) 0.879 1.785 ( 0.851 0.000 -0.221) 0.879 1.839 ( 0.330 0.000 -0.842) 0.904 1.839 ( -0.330 0.000 0.842) 0.904 1.877 ( -0.893 0.000 0.156) 0.906 1.877 ( 0.893 0.000 -0.156) 0.906 1.969 ( -0.033 0.000 -0.780) 0.781 1.969 ( 0.033 0.000 0.780) 0.781 2.091 ( 1.021 0.000 -0.740) 1.261 2.091 ( -1.021 0.000 0.740) 1.261 2.147 ( -0.091 0.000 -1.747) 1.749 2.147 ( 0.091 0.000 1.747) 1.749 3.252 ( 0.548 0.000 -1.056) 1.190 3.252 ( -0.548 0.000 1.056) 1.190 3.257 ( 0.485 0.000 -1.204) 1.299 3.257 ( -0.485 0.000 1.204) 1.299 3.396 ( 0.159 0.000 -0.630) 0.650 3.396 ( -0.159 0.000 0.630) 0.650 3.435 ( 0.564 0.000 -0.271) 0.626 3.435 ( -0.564 0.000 0.271) 0.626 3.644 ( -1.124 0.000 -0.163) 1.135 3.644 ( 1.124 0.000 0.163) 1.135 3.688 ( -0.590 0.000 -0.117) 0.601 3.688 ( 0.590 0.000 0.117) 0.601 3.827 ( -0.343 0.000 -0.673) 0.755 3.827 ( 0.343 0.000 0.673) 0.755 3.839 ( -0.284 0.000 -0.742) 0.794 3.839 ( 0.284 0.000 0.742) 0.794 5.493 ( -0.932 0.000 -0.821) 1.242 5.493 ( 0.932 0.000 0.821) 1.242 5.501 ( -0.853 0.000 -0.818) 1.182 5.501 ( 0.853 0.000 0.818) 1.182 5.719 ( -0.057 0.000 0.012) 0.058 5.719 ( 0.057 0.000 -0.012) 0.058 5.724 ( -0.206 0.000 -0.046) 0.211 5.724 ( 0.206 0.000 0.046) 0.211 6.866 ( 0.078 0.000 -0.695) 0.699 6.866 ( -0.078 0.000 0.695) 0.699 6.882 ( 0.058 0.000 -0.716) 0.718 6.882 ( -0.058 0.000 0.716) 0.718 7.067 ( 0.013 0.000 -0.006) 0.014 7.067 ( -0.013 0.000 0.006) 0.014 7.100 ( 0.148 0.000 -0.201) 0.249 7.100 ( -0.148 0.000 0.201) 0.249 8.265 ( -1.433 0.000 -0.664) 1.579 8.265 ( 1.433 0.000 0.664) 1.579 8.303 ( -0.768 0.000 -0.497) 0.915 8.303 ( 0.768 0.000 0.497) 0.915 8.833 ( 0.982 0.000 -1.183) 1.538 8.833 ( -0.982 0.000 1.183) 1.538 9.000 ( 0.776 0.000 -1.045) 1.302 9.000 ( -0.776 0.000 1.045) 1.302 9.545 ( 0.265 0.000 -0.410) 0.488 9.545 ( -0.265 0.000 0.410) 0.488 9.563 ( -1.089 0.000 0.239) 1.115 9.563 ( 1.089 0.000 -0.239) 1.115 9.688 ( -0.240 0.000 0.006) 0.240 9.688 ( 0.240 0.000 -0.006) 0.240 9.708 ( 0.162 0.000 -0.181) 0.243 9.708 ( -0.162 0.000 0.181) 0.243 10.429 ( 0.506 0.000 -0.595) 0.781 10.429 ( -0.506 0.000 0.595) 0.781 10.507 ( 0.408 0.000 -0.526) 0.666 10.507 ( -0.408 0.000 0.526) 0.666 11.154 ( 0.285 0.000 -0.294) 0.409 11.154 ( -0.285 0.000 0.294) 0.409 11.258 ( 0.176 0.000 -0.218) 0.281 11.258 ( -0.176 0.000 0.218) 0.281 ======================= Grid point 133 (80/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 -0.000 -0.000) 0.000 0.725 ( 0.000 0.000 0.000) 0.000 0.799 ( -0.000 -0.000 0.000) 0.000 0.799 ( -0.000 0.000 0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.058 ( -0.000 0.000 0.000) 0.000 1.143 ( -0.000 -0.000 0.000) 0.000 1.143 ( -0.000 0.000 0.000) 0.000 1.144 ( 0.000 -0.000 -0.000) 0.000 1.144 ( 0.000 0.000 -0.000) 0.000 1.344 ( 0.000 -0.000 0.000) 0.000 1.344 ( -0.000 0.000 0.000) 0.000 1.384 ( -0.000 -0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 -0.000 0.000) 0.000 1.560 ( -0.000 0.000 0.000) 0.000 1.785 ( -0.000 0.000 0.000) 0.000 1.785 ( -0.000 0.000 0.000) 0.000 1.792 ( 0.000 -0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 -0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 -0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.438 ( -0.000 -0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.521 ( -0.000 0.000 0.000) 0.000 5.521 ( -0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 6.857 ( -0.000 0.000 0.000) 0.000 6.857 ( -0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 -0.000) 0.000 6.860 ( 0.000 0.000 -0.000) 0.000 7.090 ( 0.000 -0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 -0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 -0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 8.926 ( 0.000 -0.000 0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 -0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 -0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 -0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 -0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 -0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 -0.000 -0.000) 0.000 10.462 ( 0.000 0.000 -0.000) 0.000 11.193 ( 0.000 -0.000 0.000) 0.000 11.193 ( -0.000 0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 11.254 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 137 (81/84) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.370 -0.454 -2.487) 2.555 0.711 ( 0.370 0.454 -2.487) 2.555 0.830 ( 1.373 -1.009 1.113) 2.035 0.830 ( 1.373 1.009 1.113) 2.035 1.036 ( -2.006 -0.499 -0.143) 2.072 1.036 ( -2.006 0.499 -0.143) 2.072 1.124 ( -2.464 -0.866 1.524) 3.024 1.124 ( -2.464 0.866 1.524) 3.024 1.141 ( -0.169 -0.351 0.597) 0.713 1.141 ( -0.169 0.351 0.597) 0.713 1.342 ( 1.201 -0.162 -0.652) 1.376 1.342 ( 1.201 0.162 -0.652) 1.376 1.390 ( 0.030 -0.518 -1.596) 1.678 1.390 ( 0.030 0.518 -1.596) 1.678 1.552 ( -0.305 -0.464 -1.387) 1.494 1.552 ( -0.305 0.464 -1.387) 1.494 1.758 ( -0.070 -0.197 -1.874) 1.886 1.758 ( -0.070 0.197 -1.874) 1.886 1.817 ( 1.092 -0.448 0.320) 1.223 1.817 ( 1.092 0.448 0.320) 1.223 1.890 ( 0.365 -1.097 -0.257) 1.184 1.890 ( 0.365 1.097 -0.257) 1.184 1.991 ( -0.679 -1.684 1.168) 2.159 1.991 ( -0.679 1.684 1.168) 2.159 2.040 ( -0.519 -0.386 0.454) 0.790 2.040 ( -0.519 0.386 0.454) 0.790 2.110 ( -0.157 -1.173 4.643) 4.792 2.110 ( -0.157 1.173 4.643) 4.792 3.241 ( 1.195 -0.597 1.224) 1.812 3.241 ( 1.195 0.597 1.224) 1.812 3.290 ( 1.061 -0.739 -0.308) 1.330 3.290 ( 1.061 0.739 -0.308) 1.330 3.433 ( 2.338 -1.181 0.807) 2.741 3.433 ( 2.338 1.181 0.807) 2.741 3.473 ( 2.953 -0.246 1.365) 3.262 3.473 ( 2.953 0.246 1.365) 3.262 3.619 ( -3.436 -0.815 -1.308) 3.766 3.619 ( -3.436 0.815 -1.308) 3.766 3.653 ( -2.470 -0.317 -0.785) 2.611 3.653 ( -2.470 0.317 -0.785) 2.611 3.819 ( -0.847 -0.689 0.314) 1.136 3.819 ( -0.847 0.689 0.314) 1.136 3.872 ( -0.500 -0.659 -0.166) 0.844 3.872 ( -0.500 0.659 -0.166) 0.844 5.481 ( -0.663 -0.796 -0.369) 1.100 5.481 ( -0.663 0.796 -0.369) 1.100 5.529 ( 0.566 -0.604 -0.134) 0.839 5.529 ( 0.566 0.604 -0.134) 0.839 5.718 ( -0.026 -0.037 -0.201) 0.205 5.718 ( -0.026 0.037 -0.201) 0.205 5.725 ( 0.183 -0.199 -0.208) 0.341 5.725 ( 0.183 0.199 -0.208) 0.341 6.854 ( -0.247 -0.249 0.490) 0.603 6.854 ( -0.247 0.249 0.490) 0.603 6.867 ( 0.596 -0.129 -0.235) 0.654 6.867 ( 0.596 0.129 -0.235) 0.654 7.087 ( -0.356 -0.003 0.110) 0.373 7.087 ( -0.356 0.003 0.110) 0.373 7.106 ( -0.198 -0.079 0.143) 0.257 7.106 ( -0.198 0.079 0.143) 0.257 8.237 ( -0.164 -1.468 -0.399) 1.530 8.237 ( -0.164 1.468 -0.399) 1.530 8.335 ( 0.224 -1.096 -0.583) 1.262 8.335 ( 0.224 1.096 -0.583) 1.262 8.853 ( -0.213 -0.547 -0.909) 1.082 8.853 ( -0.213 0.547 -0.909) 1.082 8.940 ( 0.828 -0.296 1.174) 1.467 8.940 ( 0.828 0.296 1.174) 1.467 9.552 ( 0.814 -0.284 -0.534) 1.014 9.552 ( 0.814 0.284 -0.534) 1.014 9.587 ( 0.765 -0.501 -0.228) 0.943 9.587 ( 0.765 0.501 -0.228) 0.943 9.675 ( -0.926 -0.038 -0.168) 0.942 9.675 ( -0.926 0.038 -0.168) 0.942 9.706 ( -1.065 -0.112 0.419) 1.150 9.706 ( -1.065 0.112 0.419) 1.150 10.451 ( -0.196 -0.201 -0.280) 0.397 10.451 ( -0.196 0.201 -0.280) 0.397 10.475 ( 0.695 -0.214 0.724) 1.026 10.475 ( 0.695 0.214 0.724) 1.026 11.187 ( -0.434 -0.229 -0.349) 0.601 11.187 ( -0.434 0.229 -0.349) 0.601 11.255 ( 0.172 -0.040 -0.290) 0.339 11.255 ( 0.172 0.040 -0.290) 0.339 ======================= Grid point 139 (82/84) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 1.506 -0.215 -1.968) 2.488 0.712 ( 1.506 0.215 -1.968) 2.488 0.828 ( -1.343 -1.740 -1.430) 2.623 0.828 ( -1.343 1.740 -1.430) 2.623 0.994 ( -2.845 -0.823 1.148) 3.177 0.994 ( -2.845 0.823 1.148) 3.177 1.078 ( -3.598 -0.716 1.208) 3.862 1.078 ( -3.598 0.716 1.208) 3.862 1.177 ( 2.938 -0.931 2.703) 4.099 1.177 ( 2.938 0.931 2.703) 4.099 1.340 ( 0.042 -0.399 -3.400) 3.423 1.340 ( 0.042 0.399 -3.400) 3.423 1.406 ( 2.907 -1.057 -0.118) 3.096 1.406 ( 2.907 1.057 -0.118) 3.096 1.528 ( -0.968 -0.497 -1.074) 1.529 1.528 ( -0.968 0.497 -1.074) 1.529 1.767 ( 2.163 -0.166 -1.228) 2.493 1.767 ( 2.163 0.166 -1.228) 2.493 1.819 ( 0.139 -0.391 -2.384) 2.420 1.819 ( 0.139 0.391 -2.384) 2.420 1.906 ( 0.592 -0.680 0.793) 1.200 1.906 ( 0.592 0.680 0.793) 1.200 1.981 ( -1.690 -1.039 1.712) 2.621 1.981 ( -1.690 1.039 1.712) 2.621 2.051 ( 0.812 -1.581 3.134) 3.603 2.051 ( 0.812 1.581 3.134) 3.603 2.131 ( -1.489 -0.763 3.797) 4.149 2.131 ( -1.489 0.763 3.797) 4.149 3.266 ( 0.092 -0.470 1.413) 1.492 3.266 ( 0.092 0.470 1.413) 1.492 3.297 ( 0.072 -0.558 -1.198) 1.323 3.297 ( 0.072 0.558 -1.198) 1.323 3.487 ( -0.098 -0.172 0.056) 0.206 3.487 ( -0.098 0.172 0.056) 0.206 3.521 ( 0.709 -1.198 0.010) 1.392 3.521 ( 0.709 1.198 0.010) 1.392 3.559 ( -1.632 -0.472 -0.312) 1.727 3.559 ( -1.632 0.472 -0.312) 1.727 3.602 ( 0.521 -0.728 0.326) 0.953 3.602 ( 0.521 0.728 0.326) 0.953 3.810 ( -0.418 -0.802 0.711) 1.150 3.810 ( -0.418 0.802 0.711) 1.150 3.859 ( -0.730 -0.791 -0.004) 1.077 3.859 ( -0.730 0.791 -0.004) 1.077 5.471 ( -0.085 -0.719 -0.149) 0.740 5.471 ( -0.085 0.719 -0.149) 0.740 5.532 ( -0.048 -0.506 -0.544) 0.745 5.532 ( -0.048 0.506 -0.544) 0.745 5.717 ( 0.119 -0.049 -0.275) 0.304 5.717 ( 0.119 0.049 -0.275) 0.304 5.726 ( 0.127 -0.281 -0.339) 0.458 5.726 ( 0.127 0.281 -0.339) 0.458 6.857 ( 0.031 -0.290 0.569) 0.639 6.857 ( 0.031 0.290 0.569) 0.639 6.875 ( 0.492 -0.259 -0.204) 0.593 6.875 ( 0.492 0.259 -0.204) 0.593 7.079 ( -0.545 -0.011 0.158) 0.568 7.079 ( -0.545 0.011 0.158) 0.568 7.103 ( -0.263 -0.102 0.205) 0.348 7.103 ( -0.263 0.102 0.205) 0.348 8.236 ( 0.449 -1.798 -0.252) 1.870 8.236 ( 0.449 1.798 -0.252) 1.870 8.331 ( -0.069 -1.201 -1.053) 1.599 8.331 ( -0.069 1.201 -1.053) 1.599 8.843 ( -0.113 -0.716 -0.887) 1.146 8.843 ( -0.113 0.716 -0.887) 1.146 8.967 ( 0.996 -0.441 1.246) 1.656 8.967 ( 0.996 0.441 1.246) 1.656 9.558 ( 0.424 -0.253 -1.216) 1.313 9.558 ( 0.424 0.253 -1.216) 1.313 9.594 ( 0.036 -0.870 -0.829) 1.202 9.594 ( 0.036 0.870 -0.829) 1.202 9.662 ( -0.126 -0.216 0.427) 0.495 9.662 ( -0.126 0.216 0.427) 0.495 9.694 ( -0.583 -0.228 1.072) 1.242 9.694 ( -0.583 0.228 1.072) 1.242 10.445 ( -0.363 -0.329 -0.257) 0.553 10.445 ( -0.363 0.329 -0.257) 0.553 10.493 ( 0.567 -0.282 0.668) 0.921 10.493 ( 0.567 0.282 0.668) 0.921 11.174 ( -0.623 -0.278 -0.509) 0.852 11.174 ( -0.623 0.278 -0.509) 0.852 11.256 ( 0.254 -0.087 -0.390) 0.473 11.256 ( 0.254 0.087 -0.390) 0.473 ======================= Grid point 141 (83/84) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.722 -0.248 -1.085) 1.326 0.723 ( 0.722 0.248 -1.085) 1.326 0.783 ( -1.761 -0.875 -1.516) 2.483 0.783 ( -1.761 0.875 -1.516) 2.483 0.961 ( -1.677 -0.571 1.426) 2.274 0.961 ( -1.677 0.571 1.426) 2.274 1.029 ( -2.193 -0.834 0.717) 2.453 1.029 ( -2.193 0.834 0.717) 2.453 1.259 ( 2.690 -1.121 2.556) 3.876 1.259 ( 2.690 1.121 2.556) 3.876 1.337 ( 1.919 -1.279 -1.450) 2.724 1.337 ( 1.919 1.279 -1.450) 2.724 1.414 ( -1.329 -0.458 -2.504) 2.871 1.414 ( -1.329 0.458 -2.504) 2.871 1.540 ( 2.600 -0.601 0.866) 2.806 1.540 ( 2.600 0.601 0.866) 2.806 1.789 ( 0.178 -0.326 -1.041) 1.105 1.789 ( 0.178 0.326 -1.041) 1.105 1.818 ( 2.328 -0.093 -1.848) 2.974 1.818 ( 2.328 0.093 -1.848) 2.974 1.900 ( -1.459 -1.013 0.379) 1.816 1.900 ( -1.459 1.013 0.379) 1.816 1.970 ( -0.769 -0.366 1.035) 1.340 1.970 ( -0.769 0.366 1.035) 1.340 2.093 ( -0.375 -1.126 3.118) 3.336 2.093 ( -0.375 1.126 3.118) 3.336 2.129 ( -0.115 -0.531 2.145) 2.213 2.129 ( -0.115 0.531 2.145) 2.213 3.263 ( -1.151 -0.246 0.522) 1.288 3.263 ( -1.151 0.246 0.522) 1.288 3.275 ( -1.137 -0.247 -0.828) 1.428 3.275 ( -1.137 0.247 -0.828) 1.428 3.428 ( -2.627 -0.115 -1.484) 3.019 3.428 ( -2.627 0.115 -1.484) 3.019 3.470 ( -3.124 -0.488 -1.458) 3.482 3.470 ( -3.124 0.488 -1.458) 3.482 3.606 ( 3.315 -1.089 1.334) 3.736 3.606 ( 3.315 1.089 1.334) 3.736 3.660 ( 2.431 -0.556 1.272) 2.799 3.660 ( 2.431 0.556 1.272) 2.799 3.817 ( 0.372 -0.500 0.909) 1.103 3.817 ( 0.372 0.500 0.909) 1.103 3.847 ( -0.594 -0.485 -0.073) 0.770 3.847 ( -0.594 0.485 -0.073) 0.770 5.477 ( 0.588 -0.455 0.358) 0.825 5.477 ( 0.588 0.455 0.358) 0.825 5.519 ( -0.669 -0.353 -0.853) 1.140 5.519 ( -0.669 0.353 -0.853) 1.140 5.718 ( 0.188 -0.062 -0.193) 0.276 5.718 ( 0.188 0.062 -0.193) 0.276 5.724 ( -0.011 -0.223 -0.255) 0.339 5.724 ( -0.011 0.223 -0.255) 0.339 6.863 ( 0.147 -0.205 0.435) 0.503 6.863 ( 0.147 0.205 0.435) 0.503 6.881 ( 0.252 -0.223 -0.172) 0.378 6.881 ( 0.252 0.223 -0.172) 0.378 7.071 ( -0.425 -0.012 0.106) 0.438 7.071 ( -0.425 0.012 0.106) 0.438 7.100 ( -0.170 -0.067 0.151) 0.237 7.100 ( -0.170 0.067 0.151) 0.237 8.251 ( 1.027 -1.334 0.228) 1.699 8.251 ( 1.027 1.334 0.228) 1.699 8.316 ( -0.546 -0.753 -1.093) 1.436 8.316 ( -0.546 0.753 -1.093) 1.436 8.836 ( -0.033 -0.495 -0.529) 0.726 8.836 ( -0.033 0.495 -0.529) 0.726 8.991 ( 0.687 -0.333 0.767) 1.082 8.991 ( 0.687 0.333 0.767) 1.082 9.551 ( 0.063 -0.148 -0.999) 1.012 9.551 ( 0.063 0.148 -0.999) 1.012 9.575 ( -1.148 -0.898 -0.619) 1.583 9.575 ( -1.148 0.898 -0.619) 1.583 9.676 ( 0.860 -0.222 0.517) 1.028 9.676 ( 0.860 0.222 0.517) 1.028 9.701 ( 0.263 -0.019 0.843) 0.883 9.701 ( 0.263 0.019 0.843) 0.883 10.435 ( -0.421 -0.253 -0.219) 0.538 10.435 ( -0.421 0.253 -0.219) 0.538 10.504 ( 0.211 -0.194 0.361) 0.461 10.504 ( 0.211 0.194 0.361) 0.461 11.160 ( -0.445 -0.173 -0.371) 0.605 11.160 ( -0.445 0.173 -0.371) 0.605 11.258 ( 0.186 -0.080 -0.261) 0.331 11.258 ( 0.186 0.080 -0.261) 0.331 ======================= Grid point 143 (84/84) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 0.000 -0.000) 0.000 0.723 ( -0.000 0.000 0.000) 0.000 0.758 ( 0.000 0.000 -0.000) 0.000 0.758 ( 0.000 0.000 -0.000) 0.000 0.953 ( 0.000 0.000 -0.000) 0.000 0.953 ( 0.000 -0.000 -0.000) 0.000 1.013 ( 0.000 0.000 -0.000) 0.000 1.013 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 -0.000 -0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.359 ( 0.000 0.000 -0.000) 0.000 1.359 ( 0.000 -0.000 -0.000) 0.000 1.376 ( -0.000 -0.000 0.000) 0.000 1.376 ( -0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 -0.000) 0.000 1.580 ( 0.000 0.000 -0.000) 0.000 1.781 ( 0.000 0.000 -0.000) 0.000 1.781 ( 0.000 0.000 -0.000) 0.000 1.836 ( 0.000 0.000 -0.000) 0.000 1.836 ( 0.000 0.000 -0.000) 0.000 1.887 ( 0.000 -0.000 -0.000) 0.000 1.887 ( 0.000 -0.000 -0.000) 0.000 1.964 ( 0.000 0.000 -0.000) 0.000 1.964 ( 0.000 0.000 -0.000) 0.000 2.092 ( 0.000 0.000 -0.000) 0.000 2.092 ( 0.000 0.000 -0.000) 0.000 2.147 ( 0.000 -0.000 -0.000) 0.000 2.147 ( 0.000 0.000 -0.000) 0.000 3.249 ( 0.000 0.000 -0.000) 0.000 3.249 ( 0.000 0.000 -0.000) 0.000 3.260 ( 0.000 0.000 -0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 -0.000 -0.000) 0.000 3.396 ( 0.000 0.000 -0.000) 0.000 3.435 ( 0.000 -0.000 -0.000) 0.000 3.435 ( 0.000 0.000 -0.000) 0.000 3.646 ( 0.000 0.000 -0.000) 0.000 3.646 ( 0.000 -0.000 -0.000) 0.000 3.687 ( 0.000 0.000 -0.000) 0.000 3.687 ( 0.000 0.000 -0.000) 0.000 3.828 ( 0.000 0.000 -0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 -0.000) 0.000 3.839 ( 0.000 0.000 -0.000) 0.000 5.493 ( 0.000 0.000 -0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.501 ( -0.000 0.000 -0.000) 0.000 5.501 ( 0.000 0.000 -0.000) 0.000 5.720 ( 0.000 -0.000 -0.000) 0.000 5.720 ( 0.000 0.000 -0.000) 0.000 5.723 ( 0.000 0.000 -0.000) 0.000 5.723 ( 0.000 0.000 -0.000) 0.000 6.866 ( 0.000 0.000 -0.000) 0.000 6.866 ( 0.000 -0.000 -0.000) 0.000 6.882 ( 0.000 0.000 -0.000) 0.000 6.882 ( 0.000 -0.000 0.000) 0.000 7.067 ( 0.000 0.000 -0.000) 0.000 7.067 ( 0.000 0.000 -0.000) 0.000 7.099 ( 0.000 0.000 -0.000) 0.000 7.099 ( 0.000 0.000 -0.000) 0.000 8.266 ( 0.000 0.000 -0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 -0.000) 0.000 8.302 ( 0.000 0.000 -0.000) 0.000 8.834 ( 0.000 0.000 -0.000) 0.000 8.834 ( 0.000 0.000 -0.000) 0.000 9.000 ( 0.000 0.000 -0.000) 0.000 9.000 ( 0.000 0.000 -0.000) 0.000 9.552 ( 0.000 -0.000 0.000) 0.000 9.552 ( 0.000 0.000 -0.000) 0.000 9.555 ( 0.000 -0.000 -0.000) 0.000 9.555 ( -0.000 0.000 -0.000) 0.000 9.688 ( 0.000 -0.000 -0.000) 0.000 9.688 ( 0.000 0.000 -0.000) 0.000 9.708 ( 0.000 -0.000 -0.000) 0.000 9.708 ( 0.000 0.000 -0.000) 0.000 10.430 ( 0.000 -0.000 -0.000) 0.000 10.430 ( 0.000 0.000 -0.000) 0.000 10.507 ( 0.000 0.000 -0.000) 0.000 10.507 ( 0.000 0.000 -0.000) 0.000 11.154 ( 0.000 -0.000 -0.000) 0.000 11.154 ( 0.000 0.000 -0.000) 0.000 11.258 ( 0.000 0.000 -0.000) 0.000 11.258 ( 0.000 -0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/13440 10.0 2.095 0.977 2.617 0.000 0.201 0.000 3/13440 20.0 0.861 0.375 1.096 0.000 -0.011 0.000 3/13440 30.0 0.559 0.238 0.707 0.000 -0.019 0.000 3/13440 40.0 0.425 0.177 0.532 0.000 -0.015 0.000 3/13440 50.0 0.349 0.142 0.432 0.000 -0.011 0.000 3/13440 60.0 0.300 0.120 0.370 0.000 -0.010 0.000 3/13440 70.0 0.265 0.104 0.329 0.000 -0.010 0.000 3/13440 80.0 0.239 0.092 0.300 0.000 -0.011 0.000 3/13440 90.0 0.219 0.083 0.280 0.000 -0.013 0.000 3/13440 100.0 0.203 0.076 0.264 0.000 -0.015 0.000 3/13440 110.0 0.189 0.070 0.251 0.000 -0.016 0.000 3/13440 120.0 0.177 0.065 0.241 0.000 -0.018 0.000 3/13440 130.0 0.167 0.061 0.232 0.000 -0.019 0.000 3/13440 140.0 0.158 0.057 0.223 0.000 -0.020 0.000 3/13440 150.0 0.151 0.054 0.216 0.000 -0.021 0.000 3/13440 160.0 0.143 0.051 0.208 0.000 -0.021 0.000 3/13440 170.0 0.137 0.048 0.202 0.000 -0.022 0.000 3/13440 180.0 0.131 0.046 0.195 0.000 -0.022 0.000 3/13440 190.0 0.126 0.044 0.189 0.000 -0.022 0.000 3/13440 200.0 0.121 0.042 0.184 0.000 -0.022 0.000 3/13440 210.0 0.116 0.040 0.178 0.000 -0.022 0.000 3/13440 220.0 0.112 0.038 0.173 0.000 -0.022 0.000 3/13440 230.0 0.108 0.037 0.168 0.000 -0.022 0.000 3/13440 240.0 0.104 0.036 0.163 0.000 -0.022 0.000 3/13440 250.0 0.101 0.034 0.159 0.000 -0.021 0.000 3/13440 260.0 0.097 0.033 0.154 0.000 -0.021 0.000 3/13440 270.0 0.094 0.032 0.150 0.000 -0.021 0.000 3/13440 280.0 0.091 0.031 0.146 0.000 -0.021 0.000 3/13440 290.0 0.089 0.030 0.142 0.000 -0.020 0.000 3/13440 300.0 0.086 0.029 0.139 0.000 -0.020 0.000 3/13440 310.0 0.084 0.028 0.135 0.000 -0.020 0.000 3/13440 320.0 0.081 0.027 0.132 0.000 -0.019 0.000 3/13440 330.0 0.079 0.026 0.129 0.000 -0.019 0.000 3/13440 340.0 0.077 0.026 0.126 0.000 -0.019 0.000 3/13440 350.0 0.075 0.025 0.123 0.000 -0.018 0.000 3/13440 360.0 0.073 0.024 0.120 0.000 -0.018 0.000 3/13440 370.0 0.071 0.024 0.117 0.000 -0.018 0.000 3/13440 380.0 0.070 0.023 0.115 0.000 -0.017 0.000 3/13440 390.0 0.068 0.023 0.112 0.000 -0.017 0.000 3/13440 400.0 0.067 0.022 0.110 0.000 -0.017 0.000 3/13440 410.0 0.065 0.022 0.108 0.000 -0.016 0.000 3/13440 420.0 0.064 0.021 0.105 0.000 -0.016 0.000 3/13440 430.0 0.062 0.021 0.103 0.000 -0.016 0.000 3/13440 440.0 0.061 0.020 0.101 0.000 -0.016 0.000 3/13440 450.0 0.060 0.020 0.099 0.000 -0.015 0.000 3/13440 460.0 0.059 0.019 0.097 0.000 -0.015 0.000 3/13440 470.0 0.057 0.019 0.096 0.000 -0.015 0.000 3/13440 480.0 0.056 0.019 0.094 0.000 -0.015 0.000 3/13440 490.0 0.055 0.018 0.092 0.000 -0.014 0.000 3/13440 500.0 0.054 0.018 0.090 0.000 -0.014 0.000 3/13440 510.0 0.053 0.018 0.089 0.000 -0.014 0.000 3/13440 520.0 0.052 0.017 0.087 0.000 -0.014 0.000 3/13440 530.0 0.051 0.017 0.086 0.000 -0.014 0.000 3/13440 540.0 0.051 0.017 0.084 0.000 -0.013 0.000 3/13440 550.0 0.050 0.016 0.083 0.000 -0.013 0.000 3/13440 560.0 0.049 0.016 0.082 0.000 -0.013 0.000 3/13440 570.0 0.048 0.016 0.080 0.000 -0.013 0.000 3/13440 580.0 0.047 0.015 0.079 0.000 -0.013 0.000 3/13440 590.0 0.047 0.015 0.078 0.000 -0.012 0.000 3/13440 600.0 0.046 0.015 0.077 0.000 -0.012 0.000 3/13440 610.0 0.045 0.015 0.076 0.000 -0.012 0.000 3/13440 620.0 0.044 0.015 0.075 0.000 -0.012 0.000 3/13440 630.0 0.044 0.014 0.073 0.000 -0.012 0.000 3/13440 640.0 0.043 0.014 0.072 0.000 -0.012 0.000 3/13440 650.0 0.042 0.014 0.071 0.000 -0.011 0.000 3/13440 660.0 0.042 0.014 0.070 0.000 -0.011 0.000 3/13440 670.0 0.041 0.013 0.069 0.000 -0.011 0.000 3/13440 680.0 0.041 0.013 0.068 0.000 -0.011 0.000 3/13440 690.0 0.040 0.013 0.067 0.000 -0.011 0.000 3/13440 700.0 0.040 0.013 0.067 0.000 -0.011 0.000 3/13440 710.0 0.039 0.013 0.066 0.000 -0.011 0.000 3/13440 720.0 0.039 0.013 0.065 0.000 -0.010 0.000 3/13440 730.0 0.038 0.012 0.064 0.000 -0.010 0.000 3/13440 740.0 0.038 0.012 0.063 0.000 -0.010 0.000 3/13440 750.0 0.037 0.012 0.062 0.000 -0.010 0.000 3/13440 760.0 0.037 0.012 0.062 0.000 -0.010 0.000 3/13440 770.0 0.036 0.012 0.061 0.000 -0.010 0.000 3/13440 780.0 0.036 0.012 0.060 0.000 -0.010 0.000 3/13440 790.0 0.035 0.011 0.059 0.000 -0.010 0.000 3/13440 800.0 0.035 0.011 0.059 0.000 -0.010 0.000 3/13440 810.0 0.034 0.011 0.058 0.000 -0.009 0.000 3/13440 820.0 0.034 0.011 0.057 0.000 -0.009 0.000 3/13440 830.0 0.034 0.011 0.057 0.000 -0.009 0.000 3/13440 840.0 0.033 0.011 0.056 0.000 -0.009 0.000 3/13440 850.0 0.033 0.011 0.056 0.000 -0.009 0.000 3/13440 860.0 0.033 0.011 0.055 0.000 -0.009 0.000 3/13440 870.0 0.032 0.010 0.054 0.000 -0.009 0.000 3/13440 880.0 0.032 0.010 0.054 0.000 -0.009 0.000 3/13440 890.0 0.031 0.010 0.053 0.000 -0.009 0.000 3/13440 900.0 0.031 0.010 0.053 0.000 -0.009 0.000 3/13440 910.0 0.031 0.010 0.052 0.000 -0.008 0.000 3/13440 920.0 0.030 0.010 0.051 0.000 -0.008 0.000 3/13440 930.0 0.030 0.010 0.051 0.000 -0.008 0.000 3/13440 940.0 0.030 0.010 0.050 0.000 -0.008 0.000 3/13440 950.0 0.030 0.010 0.050 0.000 -0.008 0.000 3/13440 960.0 0.029 0.009 0.049 0.000 -0.008 0.000 3/13440 970.0 0.029 0.009 0.049 0.000 -0.008 0.000 3/13440 980.0 0.029 0.009 0.048 0.000 -0.008 0.000 3/13440 990.0 0.028 0.009 0.048 0.000 -0.008 0.000 3/13440 1000.0 0.028 0.009 0.048 0.000 -0.008 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m8210.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:54:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|