----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.984282795067495 -3.358932185000000 0.000000000000000 b 6.984282795067495 3.358932185000000 0.000000000000000 c -5.530668035608963 0.000000000000000 9.044980474561351 Atomic positions (fractional): *1 Cd 0.93987337114940 0.74377008928307 0.65312873692419 112.411 2 Cd 0.74377008928307 0.93987337114940 0.15312873692419 112.411 *3 Cd 0.31272188789997 0.79242164733459 0.48654363917051 112.411 4 Cd 0.79242164733459 0.31272188789997 0.98654363917051 112.411 5 Cd 0.68727811210003 0.20757835266541 0.51345636082949 112.411 6 Cd 0.06012662885060 0.25622991071693 0.34687126307581 112.411 7 Cd 0.20757835266541 0.68727811210004 0.01345636082949 112.411 8 Cd 0.25622991071693 0.06012662885060 0.84687126307581 112.411 *9 P 0.58768506956224 0.76431378899929 0.30555764999002 30.974 10 P 0.76431378899929 0.58768506956224 0.80555764999002 30.974 11 P 0.23568621100071 0.41231493043776 0.19444235000998 30.974 12 P 0.41231493043776 0.23568621100071 0.69444235000998 30.974 *13 O 0.77492202397206 0.60887132380717 0.41288644728604 15.999 14 O 0.39112867619284 0.22507797602794 0.08711355271396 15.999 *15 O 0.92837101018014 0.64808449885267 0.81691292823677 15.999 16 O 0.64808449885267 0.92837101018014 0.31691292823677 15.999 17 O 0.60887132380717 0.77492202397206 0.91288644728604 15.999 *18 O 0.44322026410901 0.38155412224792 0.85600864600421 15.999 19 O 0.07162898981986 0.35191550114733 0.18308707176323 15.999 20 O 0.55677973589099 0.61844587775208 0.14399135399579 15.999 *21 O 0.90456025473873 0.36022974551204 0.84992810039003 15.999 22 O 0.63977025448796 0.09543974526127 0.65007189960997 15.999 23 O 0.38155412224792 0.44322026410901 0.35600864600421 15.999 24 O 0.22507797602794 0.39112867619284 0.58711355271396 15.999 25 O 0.36022974551204 0.90456025473873 0.34992810039003 15.999 26 O 0.09543974526127 0.63977025448796 0.15007189960997 15.999 27 O 0.35191550114733 0.07162898981986 0.68308707176323 15.999 28 O 0.61844587775208 0.55677973589099 0.64399135399579 15.999 *29 F 0.90581902798407 0.06816537805127 0.10963184792278 18.998 30 F 0.09418097201593 0.93183462194873 0.89036815207722 18.998 31 F 0.06816537805127 0.90581902798407 0.60963184792278 18.998 32 F 0.93183462194873 0.09418097201593 0.39036815207722 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.968565590134990 0.000000000000000 0.000000000000000 b 0.000000000000000 6.717864370000000 0.000000000000000 c -5.530668035608963 0.000000000000000 9.044980474561351 Atomic positions (fractional): *1 Cd 0.84182173021624 0.90194835906684 0.65312873692419 112.411 > 1 2 Cd 0.84182173021624 0.09805164093316 0.15312873692419 112.411 > 2 *3 Cd 0.05257176761728 0.73984987971731 0.48654363917051 112.411 > 3 4 Cd 0.05257176761728 0.26015012028269 0.98654363917051 112.411 > 4 5 Cd 0.94742823238272 0.26015012028269 0.51345636082949 112.411 > 5 6 Cd 0.15817826978376 0.09805164093316 0.34687126307581 112.411 > 6 7 Cd 0.94742823238272 0.73984987971731 0.01345636082949 112.411 > 7 8 Cd 0.15817826978376 0.90194835906684 0.84687126307581 112.411 > 8 9 Cd 0.34182173021624 0.40194835906684 0.65312873692419 112.411 > 1 10 Cd 0.34182173021624 0.59805164093316 0.15312873692419 112.411 > 2 11 Cd 0.55257176761728 0.23984987971731 0.48654363917051 112.411 > 3 12 Cd 0.55257176761728 0.76015012028269 0.98654363917051 112.411 > 4 13 Cd 0.44742823238272 0.76015012028269 0.51345636082949 112.411 > 5 14 Cd 0.65817826978376 0.59805164093316 0.34687126307581 112.411 > 6 15 Cd 0.44742823238272 0.23984987971731 0.01345636082949 112.411 > 7 16 Cd 0.65817826978376 0.40194835906684 0.84687126307581 112.411 > 8 *17 P 0.67599942928076 0.08831435971853 0.30555764999002 30.974 > 9 18 P 0.17599942928076 0.41168564028147 0.80555764999002 30.974 > 10 19 P 0.82400057071924 0.58831435971853 0.19444235000998 30.974 > 11 20 P 0.32400057071924 0.91168564028147 0.69444235000998 30.974 > 12 21 P 0.17599942928076 0.58831435971853 0.30555764999002 30.974 > 9 22 P 0.67599942928076 0.91168564028147 0.80555764999002 30.974 > 10 23 P 0.32400057071924 0.08831435971853 0.19444235000998 30.974 > 11 24 P 0.82400057071924 0.41168564028147 0.69444235000998 30.974 > 12 *25 O 0.19189667388961 0.41697464991755 0.41288644728604 15.999 > 13 26 O 0.80810332611039 0.41697464991755 0.08711355271396 15.999 > 14 *27 O 0.28822775451640 0.35985674433626 0.81691292823677 15.999 > 15 28 O 0.78822775451640 0.14014325566374 0.31691292823677 15.999 > 16 29 O 0.19189667388961 0.58302535008245 0.91288644728604 15.999 > 17 *30 O 0.41238719317846 0.96916692906945 0.85600864600421 15.999 > 18 31 O 0.71177224548360 0.64014325566374 0.18308707176323 15.999 > 19 32 O 0.58761280682154 0.03083307093055 0.14399135399579 15.999 > 20 *33 O 0.13239500012539 0.22783474538666 0.84992810039003 15.999 > 21 34 O 0.86760499987461 0.22783474538666 0.65007189960997 15.999 > 22 35 O 0.91238719317846 0.53083307093055 0.35600864600421 15.999 > 23 36 O 0.80810332611039 0.58302535008245 0.58711355271396 15.999 > 24 37 O 0.13239500012539 0.77216525461334 0.34992810039003 15.999 > 25 38 O 0.86760499987461 0.77216525461334 0.15007189960997 15.999 > 26 39 O 0.21177224548360 0.85985674433626 0.68308707176323 15.999 > 27 40 O 0.08761280682154 0.46916692906945 0.64399135399579 15.999 > 28 41 O 0.69189667388961 0.91697464991755 0.41288644728604 15.999 > 13 42 O 0.30810332611039 0.91697464991755 0.08711355271396 15.999 > 14 43 O 0.78822775451640 0.85985674433626 0.81691292823677 15.999 > 15 44 O 0.28822775451640 0.64014325566374 0.31691292823677 15.999 > 16 45 O 0.69189667388961 0.08302535008245 0.91288644728604 15.999 > 17 46 O 0.91238719317846 0.46916692906945 0.85600864600421 15.999 > 18 47 O 0.21177224548360 0.14014325566374 0.18308707176323 15.999 > 19 48 O 0.08761280682154 0.53083307093055 0.14399135399579 15.999 > 20 49 O 0.63239500012539 0.72783474538666 0.84992810039003 15.999 > 21 50 O 0.36760499987461 0.72783474538666 0.65007189960997 15.999 > 22 51 O 0.41238719317846 0.03083307093055 0.35600864600421 15.999 > 23 52 O 0.30810332611039 0.08302535008245 0.58711355271396 15.999 > 24 53 O 0.63239500012539 0.27216525461334 0.34992810039003 15.999 > 25 54 O 0.36760499987461 0.27216525461334 0.15007189960997 15.999 > 26 55 O 0.71177224548360 0.35985674433626 0.68308707176323 15.999 > 27 56 O 0.58761280682154 0.96916692906945 0.64399135399579 15.999 > 28 *57 F 0.98699220301767 0.08117317503360 0.10963184792278 18.998 > 29 58 F 0.01300779698233 0.91882682496640 0.89036815207722 18.998 > 30 59 F 0.98699220301767 0.91882682496640 0.60963184792278 18.998 > 31 60 F 0.01300779698233 0.08117317503360 0.39036815207722 18.998 > 32 61 F 0.48699220301767 0.58117317503360 0.10963184792278 18.998 > 29 62 F 0.51300779698233 0.41882682496640 0.89036815207722 18.998 > 30 63 F 0.48699220301767 0.41882682496640 0.60963184792278 18.998 > 31 64 F 0.51300779698233 0.58117317503360 0.39036815207722 18.998 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.968565590134990 0.000000000000000 0.000000000000000 b 0.000000000000000 13.435728740000000 0.000000000000000 c -5.530668035608963 0.000000000000000 9.044980474561351 Atomic positions (fractional): *1 Cd 0.84182173021624 0.45097417953342 0.65312873692419 112.411 > 1 2 Cd 0.84182173021624 0.95097417953342 0.65312873692419 112.411 > 1 3 Cd 0.84182173021624 0.04902582046658 0.15312873692419 112.411 > 2 4 Cd 0.84182173021624 0.54902582046658 0.15312873692419 112.411 > 2 *5 Cd 0.05257176761728 0.36992493985866 0.48654363917051 112.411 > 3 6 Cd 0.05257176761728 0.86992493985866 0.48654363917051 112.411 > 3 7 Cd 0.05257176761728 0.13007506014134 0.98654363917051 112.411 > 4 8 Cd 0.05257176761728 0.63007506014134 0.98654363917051 112.411 > 4 9 Cd 0.94742823238272 0.13007506014134 0.51345636082949 112.411 > 5 10 Cd 0.94742823238272 0.63007506014134 0.51345636082949 112.411 > 5 11 Cd 0.15817826978376 0.04902582046658 0.34687126307581 112.411 > 6 12 Cd 0.15817826978376 0.54902582046658 0.34687126307581 112.411 > 6 13 Cd 0.94742823238272 0.36992493985866 0.01345636082949 112.411 > 7 14 Cd 0.94742823238272 0.86992493985866 0.01345636082949 112.411 > 7 15 Cd 0.15817826978376 0.45097417953342 0.84687126307581 112.411 > 8 16 Cd 0.15817826978376 0.95097417953342 0.84687126307581 112.411 > 8 17 Cd 0.34182173021624 0.20097417953342 0.65312873692419 112.411 > 1 18 Cd 0.34182173021624 0.70097417953342 0.65312873692419 112.411 > 1 19 Cd 0.34182173021624 0.29902582046658 0.15312873692419 112.411 > 2 20 Cd 0.34182173021624 0.79902582046658 0.15312873692419 112.411 > 2 21 Cd 0.55257176761728 0.11992493985866 0.48654363917051 112.411 > 3 22 Cd 0.55257176761728 0.61992493985866 0.48654363917051 112.411 > 3 23 Cd 0.55257176761728 0.38007506014134 0.98654363917051 112.411 > 4 24 Cd 0.55257176761728 0.88007506014134 0.98654363917051 112.411 > 4 25 Cd 0.44742823238272 0.38007506014134 0.51345636082949 112.411 > 5 26 Cd 0.44742823238272 0.88007506014134 0.51345636082949 112.411 > 5 27 Cd 0.65817826978376 0.29902582046658 0.34687126307581 112.411 > 6 28 Cd 0.65817826978376 0.79902582046658 0.34687126307581 112.411 > 6 29 Cd 0.44742823238272 0.11992493985866 0.01345636082949 112.411 > 7 30 Cd 0.44742823238272 0.61992493985866 0.01345636082949 112.411 > 7 31 Cd 0.65817826978376 0.20097417953342 0.84687126307581 112.411 > 8 32 Cd 0.65817826978376 0.70097417953342 0.84687126307581 112.411 > 8 *33 P 0.67599942928076 0.04415717985926 0.30555764999002 30.974 > 9 34 P 0.67599942928076 0.54415717985926 0.30555764999002 30.974 > 9 35 P 0.17599942928076 0.20584282014074 0.80555764999002 30.974 > 10 36 P 0.17599942928076 0.70584282014074 0.80555764999002 30.974 > 10 37 P 0.82400057071924 0.29415717985926 0.19444235000998 30.974 > 11 38 P 0.82400057071924 0.79415717985926 0.19444235000998 30.974 > 11 39 P 0.32400057071924 0.45584282014074 0.69444235000998 30.974 > 12 40 P 0.32400057071924 0.95584282014074 0.69444235000998 30.974 > 12 41 P 0.17599942928076 0.29415717985926 0.30555764999002 30.974 > 9 42 P 0.17599942928076 0.79415717985926 0.30555764999002 30.974 > 9 43 P 0.67599942928076 0.45584282014074 0.80555764999002 30.974 > 10 44 P 0.67599942928076 0.95584282014074 0.80555764999002 30.974 > 10 45 P 0.32400057071924 0.04415717985926 0.19444235000998 30.974 > 11 46 P 0.32400057071924 0.54415717985926 0.19444235000998 30.974 > 11 47 P 0.82400057071924 0.20584282014074 0.69444235000998 30.974 > 12 48 P 0.82400057071924 0.70584282014074 0.69444235000998 30.974 > 12 *49 O 0.19189667388961 0.20848732495878 0.41288644728604 15.999 > 13 50 O 0.19189667388961 0.70848732495878 0.41288644728604 15.999 > 13 51 O 0.80810332611039 0.20848732495878 0.08711355271396 15.999 > 14 52 O 0.80810332611039 0.70848732495878 0.08711355271396 15.999 > 14 *53 O 0.28822775451640 0.17992837216813 0.81691292823677 15.999 > 15 54 O 0.28822775451640 0.67992837216813 0.81691292823677 15.999 > 15 55 O 0.78822775451640 0.07007162783187 0.31691292823677 15.999 > 16 56 O 0.78822775451640 0.57007162783187 0.31691292823677 15.999 > 16 57 O 0.19189667388961 0.29151267504122 0.91288644728604 15.999 > 17 58 O 0.19189667388961 0.79151267504122 0.91288644728604 15.999 > 17 *59 O 0.41238719317846 0.48458346453473 0.85600864600421 15.999 > 18 60 O 0.41238719317846 0.98458346453473 0.85600864600421 15.999 > 18 61 O 0.71177224548360 0.32007162783187 0.18308707176323 15.999 > 19 62 O 0.71177224548360 0.82007162783187 0.18308707176323 15.999 > 19 63 O 0.58761280682154 0.01541653546527 0.14399135399579 15.999 > 20 64 O 0.58761280682154 0.51541653546527 0.14399135399579 15.999 > 20 *65 O 0.13239500012539 0.11391737269333 0.84992810039003 15.999 > 21 66 O 0.13239500012539 0.61391737269333 0.84992810039003 15.999 > 21 67 O 0.86760499987461 0.11391737269333 0.65007189960997 15.999 > 22 68 O 0.86760499987461 0.61391737269333 0.65007189960997 15.999 > 22 69 O 0.91238719317846 0.26541653546527 0.35600864600421 15.999 > 23 70 O 0.91238719317846 0.76541653546527 0.35600864600421 15.999 > 23 71 O 0.80810332611039 0.29151267504122 0.58711355271396 15.999 > 24 72 O 0.80810332611039 0.79151267504122 0.58711355271396 15.999 > 24 73 O 0.13239500012539 0.38608262730667 0.34992810039003 15.999 > 25 74 O 0.13239500012539 0.88608262730667 0.34992810039003 15.999 > 25 75 O 0.86760499987461 0.38608262730667 0.15007189960997 15.999 > 26 76 O 0.86760499987461 0.88608262730667 0.15007189960997 15.999 > 26 77 O 0.21177224548360 0.42992837216813 0.68308707176323 15.999 > 27 78 O 0.21177224548360 0.92992837216813 0.68308707176323 15.999 > 27 79 O 0.08761280682154 0.23458346453473 0.64399135399579 15.999 > 28 80 O 0.08761280682154 0.73458346453473 0.64399135399579 15.999 > 28 81 O 0.69189667388961 0.45848732495878 0.41288644728604 15.999 > 13 82 O 0.69189667388961 0.95848732495878 0.41288644728604 15.999 > 13 83 O 0.30810332611039 0.45848732495878 0.08711355271396 15.999 > 14 84 O 0.30810332611039 0.95848732495878 0.08711355271396 15.999 > 14 85 O 0.78822775451640 0.42992837216813 0.81691292823677 15.999 > 15 86 O 0.78822775451640 0.92992837216813 0.81691292823677 15.999 > 15 87 O 0.28822775451640 0.32007162783187 0.31691292823677 15.999 > 16 88 O 0.28822775451640 0.82007162783187 0.31691292823677 15.999 > 16 89 O 0.69189667388961 0.04151267504122 0.91288644728604 15.999 > 17 90 O 0.69189667388961 0.54151267504122 0.91288644728604 15.999 > 17 91 O 0.91238719317846 0.23458346453473 0.85600864600421 15.999 > 18 92 O 0.91238719317846 0.73458346453473 0.85600864600421 15.999 > 18 93 O 0.21177224548360 0.07007162783187 0.18308707176323 15.999 > 19 94 O 0.21177224548360 0.57007162783187 0.18308707176323 15.999 > 19 95 O 0.08761280682154 0.26541653546527 0.14399135399579 15.999 > 20 96 O 0.08761280682154 0.76541653546527 0.14399135399579 15.999 > 20 97 O 0.63239500012539 0.36391737269333 0.84992810039003 15.999 > 21 98 O 0.63239500012539 0.86391737269333 0.84992810039003 15.999 > 21 99 O 0.36760499987461 0.36391737269333 0.65007189960997 15.999 > 22 100 O 0.36760499987461 0.86391737269333 0.65007189960997 15.999 > 22 101 O 0.41238719317846 0.01541653546527 0.35600864600421 15.999 > 23 102 O 0.41238719317846 0.51541653546527 0.35600864600421 15.999 > 23 103 O 0.30810332611039 0.04151267504122 0.58711355271396 15.999 > 24 104 O 0.30810332611039 0.54151267504122 0.58711355271396 15.999 > 24 105 O 0.63239500012539 0.13608262730667 0.34992810039003 15.999 > 25 106 O 0.63239500012539 0.63608262730667 0.34992810039003 15.999 > 25 107 O 0.36760499987461 0.13608262730667 0.15007189960997 15.999 > 26 108 O 0.36760499987461 0.63608262730667 0.15007189960997 15.999 > 26 109 O 0.71177224548360 0.17992837216813 0.68308707176323 15.999 > 27 110 O 0.71177224548360 0.67992837216813 0.68308707176323 15.999 > 27 111 O 0.58761280682154 0.48458346453473 0.64399135399579 15.999 > 28 112 O 0.58761280682154 0.98458346453473 0.64399135399579 15.999 > 28 *113 F 0.98699220301767 0.04058658751680 0.10963184792278 18.998 > 29 114 F 0.98699220301767 0.54058658751680 0.10963184792278 18.998 > 29 115 F 0.01300779698233 0.45941341248320 0.89036815207722 18.998 > 30 116 F 0.01300779698233 0.95941341248320 0.89036815207722 18.998 > 30 117 F 0.98699220301767 0.45941341248320 0.60963184792278 18.998 > 31 118 F 0.98699220301767 0.95941341248320 0.60963184792278 18.998 > 31 119 F 0.01300779698233 0.04058658751680 0.39036815207722 18.998 > 32 120 F 0.01300779698233 0.54058658751680 0.39036815207722 18.998 > 32 121 F 0.48699220301767 0.29058658751680 0.10963184792278 18.998 > 29 122 F 0.48699220301767 0.79058658751680 0.10963184792278 18.998 > 29 123 F 0.51300779698233 0.20941341248320 0.89036815207722 18.998 > 30 124 F 0.51300779698233 0.70941341248320 0.89036815207722 18.998 > 30 125 F 0.48699220301767 0.20941341248320 0.60963184792278 18.998 > 31 126 F 0.48699220301767 0.70941341248320 0.60963184792278 18.998 > 31 127 F 0.51300779698233 0.29058658751680 0.39036815207722 18.998 > 32 128 F 0.51300779698233 0.79058658751680 0.39036815207722 18.998 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1179197 0.0000000 -0.0084414 0.0000000 3.2120655 0.0000000 -0.0084417 0.0000000 3.2398333 -------------------------- Born effective charges -------------------------- 1 Cd 2.3013957 0.1771890 -0.1141935 0.1729010 2.5944113 0.0025599 -0.0201156 -0.0247231 2.4376899 2 Cd 2.3013957 -0.1771890 -0.1141935 -0.1729010 2.5944113 -0.0025599 -0.0201156 0.0247231 2.4376899 3 Cd 2.4261198 0.1636609 0.0013826 0.0865866 2.3603426 0.0790100 0.0073144 0.0432316 2.5980010 4 Cd 2.4261198 -0.1636609 0.0013826 -0.0865866 2.3603426 -0.0790100 0.0073144 -0.0432316 2.5980010 5 Cd 2.4261198 0.1636609 0.0013826 0.0865866 2.3603426 0.0790100 0.0073144 0.0432316 2.5980010 6 Cd 2.3013957 0.1771890 -0.1141935 0.1729010 2.5944113 0.0025599 -0.0201156 -0.0247231 2.4376899 7 Cd 2.4261198 -0.1636609 0.0013826 -0.0865866 2.3603426 -0.0790100 0.0073144 -0.0432316 2.5980010 8 Cd 2.3013957 -0.1771890 -0.1141935 -0.1729010 2.5944113 -0.0025599 -0.0201156 0.0247231 2.4376899 9 P 3.5392392 -0.1222925 0.1898399 0.0369129 3.3380937 -0.1403900 -0.0697391 0.0795419 3.4767889 10 P 3.5392392 0.1222925 0.1898399 -0.0369129 3.3380937 0.1403900 -0.0697391 -0.0795419 3.4767889 11 P 3.5392392 0.1222925 0.1898399 -0.0369129 3.3380937 0.1403900 -0.0697391 -0.0795419 3.4767889 12 P 3.5392392 -0.1222925 0.1898399 0.0369129 3.3380937 -0.1403900 -0.0697391 0.0795419 3.4767889 13 O -1.0798208 -0.1359449 0.0419527 -0.2271304 -2.2502977 0.5646569 0.0723718 0.5146180 -1.9199205 14 O -1.0798208 0.1359449 0.0419527 0.2271304 -2.2502977 -0.5646569 0.0723718 -0.5146180 -1.9199205 15 O -2.6271813 0.3165499 0.0034431 0.3694543 -1.1800756 0.1346547 0.0408084 0.1631304 -1.4334503 16 O -2.6271813 -0.3165499 0.0034431 -0.3694543 -1.1800756 -0.1346547 0.0408084 -0.1631304 -1.4334503 17 O -1.0798208 0.1359449 0.0419527 0.2271304 -2.2502977 -0.5646569 0.0723718 -0.5146180 -1.9199205 18 O -1.2924496 0.2047072 -0.4883592 0.1225028 -1.4337703 -0.3283752 -0.4373679 -0.3059528 -2.5710727 19 O -2.6271813 0.3165499 0.0034431 0.3694543 -1.1800756 0.1346547 0.0408084 0.1631304 -1.4334503 20 O -1.2924496 0.2047072 -0.4883592 0.1225028 -1.4337703 -0.3283752 -0.4373679 -0.3059528 -2.5710727 21 O -1.7485686 -0.5062121 0.3307063 -0.4949210 -2.2206263 0.3240206 0.3691406 0.3433748 -1.4001622 22 O -1.7485686 0.5062121 0.3307063 0.4949210 -2.2206263 -0.3240206 0.3691406 -0.3433748 -1.4001622 23 O -1.2924496 -0.2047072 -0.4883592 -0.1225028 -1.4337703 0.3283752 -0.4373679 0.3059528 -2.5710727 24 O -1.0798208 -0.1359449 0.0419527 -0.2271304 -2.2502977 0.5646569 0.0723718 0.5146180 -1.9199205 25 O -1.7485686 0.5062121 0.3307063 0.4949210 -2.2206263 -0.3240206 0.3691406 -0.3433748 -1.4001622 26 O -1.7485686 -0.5062121 0.3307063 -0.4949210 -2.2206263 0.3240206 0.3691406 0.3433748 -1.4001622 27 O -2.6271813 -0.3165499 0.0034431 -0.3694543 -1.1800756 -0.1346547 0.0408084 -0.1631304 -1.4334503 28 O -1.2924496 -0.2047072 -0.4883592 -0.1225028 -1.4337703 0.3283752 -0.4373679 0.3059528 -2.5710727 29 F -1.5187343 -0.2300925 0.0352281 -0.1969450 -1.2080777 0.0268438 0.0375874 -0.0461987 -1.1878741 30 F -1.5187343 -0.2300925 0.0352281 -0.1969450 -1.2080777 0.0268438 0.0375874 -0.0461987 -1.1878741 31 F -1.5187343 0.2300925 0.0352281 0.1969450 -1.2080777 -0.0268438 0.0375874 0.0461987 -1.1878741 32 F -1.5187343 0.2300925 0.0352281 0.1969450 -1.2080777 -0.0268438 0.0375874 0.0461987 -1.1878741 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 21696/21696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 261), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 261), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.433 Solver_block: 200 / 960 - Time: 1.258 Solver_block: 300 / 960 - Time: 1.270 Solver_block: 400 / 960 - Time: 1.272 Solver_block: 500 / 960 - Time: 1.279 Solver_block: 600 / 960 - Time: 1.279 Solver_block: 700 / 960 - Time: 1.271 Solver_block: 800 / 960 - Time: 1.278 Solver_block: 900 / 960 - Time: 1.270 Solver_block: 960 / 960 - Time: 0.880 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.813 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 21696/21696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 261), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 261), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:47:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:47:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.984282795067495 -3.358932185000000 0.000000000000000 b 6.984282795067495 3.358932185000000 0.000000000000000 c -5.530668035608963 0.000000000000000 9.044980474561351 Atomic positions (fractional): 1 Cd 0.93987337114940 0.74377008928307 0.65312873692419 112.411 2 Cd 0.74377008928307 0.93987337114940 0.15312873692419 112.411 3 Cd 0.31272188789997 0.79242164733459 0.48654363917051 112.411 4 Cd 0.79242164733459 0.31272188789997 0.98654363917051 112.411 5 Cd 0.68727811210003 0.20757835266541 0.51345636082949 112.411 6 Cd 0.06012662885060 0.25622991071693 0.34687126307581 112.411 7 Cd 0.20757835266541 0.68727811210004 0.01345636082949 112.411 8 Cd 0.25622991071693 0.06012662885060 0.84687126307581 112.411 9 P 0.58768506956224 0.76431378899929 0.30555764999002 30.974 10 P 0.76431378899929 0.58768506956224 0.80555764999002 30.974 11 P 0.23568621100071 0.41231493043776 0.19444235000998 30.974 12 P 0.41231493043776 0.23568621100071 0.69444235000998 30.974 13 O 0.77492202397206 0.60887132380717 0.41288644728604 15.999 14 O 0.39112867619284 0.22507797602794 0.08711355271396 15.999 15 O 0.92837101018014 0.64808449885267 0.81691292823677 15.999 16 O 0.64808449885267 0.92837101018014 0.31691292823677 15.999 17 O 0.60887132380717 0.77492202397206 0.91288644728604 15.999 18 O 0.44322026410901 0.38155412224792 0.85600864600421 15.999 19 O 0.07162898981986 0.35191550114733 0.18308707176323 15.999 20 O 0.55677973589099 0.61844587775208 0.14399135399579 15.999 21 O 0.90456025473873 0.36022974551204 0.84992810039003 15.999 22 O 0.63977025448796 0.09543974526127 0.65007189960997 15.999 23 O 0.38155412224792 0.44322026410901 0.35600864600421 15.999 24 O 0.22507797602794 0.39112867619284 0.58711355271396 15.999 25 O 0.36022974551204 0.90456025473873 0.34992810039003 15.999 26 O 0.09543974526127 0.63977025448796 0.15007189960997 15.999 27 O 0.35191550114733 0.07162898981986 0.68308707176323 15.999 28 O 0.61844587775208 0.55677973589099 0.64399135399579 15.999 29 F 0.90581902798407 0.06816537805127 0.10963184792278 18.998 30 F 0.09418097201593 0.93183462194873 0.89036815207722 18.998 31 F 0.06816537805127 0.90581902798407 0.60963184792278 18.998 32 F 0.93183462194873 0.09418097201593 0.39036815207722 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.968565590134990 0.000000000000000 0.000000000000000 b 0.000000000000000 13.435728740000000 0.000000000000000 c -5.530668035608963 0.000000000000000 9.044980474561351 Atomic positions (fractional): 1 Cd 0.84182173021624 0.45097417953342 0.65312873692419 112.411 > 1 2 Cd 0.84182173021624 0.95097417953342 0.65312873692419 112.411 > 1 3 Cd 0.84182173021624 0.04902582046658 0.15312873692419 112.411 > 3 4 Cd 0.84182173021624 0.54902582046658 0.15312873692419 112.411 > 3 5 Cd 0.05257176761728 0.36992493985866 0.48654363917051 112.411 > 5 6 Cd 0.05257176761728 0.86992493985866 0.48654363917051 112.411 > 5 7 Cd 0.05257176761728 0.13007506014134 0.98654363917051 112.411 > 7 8 Cd 0.05257176761728 0.63007506014134 0.98654363917051 112.411 > 7 9 Cd 0.94742823238272 0.13007506014134 0.51345636082949 112.411 > 9 10 Cd 0.94742823238272 0.63007506014134 0.51345636082949 112.411 > 9 11 Cd 0.15817826978376 0.04902582046658 0.34687126307581 112.411 > 11 12 Cd 0.15817826978376 0.54902582046658 0.34687126307581 112.411 > 11 13 Cd 0.94742823238272 0.36992493985866 0.01345636082949 112.411 > 13 14 Cd 0.94742823238272 0.86992493985866 0.01345636082949 112.411 > 13 15 Cd 0.15817826978376 0.45097417953342 0.84687126307581 112.411 > 15 16 Cd 0.15817826978376 0.95097417953342 0.84687126307581 112.411 > 15 17 Cd 0.34182173021624 0.20097417953342 0.65312873692419 112.411 > 1 18 Cd 0.34182173021624 0.70097417953342 0.65312873692419 112.411 > 1 19 Cd 0.34182173021624 0.29902582046658 0.15312873692419 112.411 > 3 20 Cd 0.34182173021624 0.79902582046658 0.15312873692419 112.411 > 3 21 Cd 0.55257176761728 0.11992493985866 0.48654363917051 112.411 > 5 22 Cd 0.55257176761728 0.61992493985866 0.48654363917051 112.411 > 5 23 Cd 0.55257176761728 0.38007506014134 0.98654363917051 112.411 > 7 24 Cd 0.55257176761728 0.88007506014134 0.98654363917051 112.411 > 7 25 Cd 0.44742823238272 0.38007506014134 0.51345636082949 112.411 > 9 26 Cd 0.44742823238272 0.88007506014134 0.51345636082949 112.411 > 9 27 Cd 0.65817826978376 0.29902582046658 0.34687126307581 112.411 > 11 28 Cd 0.65817826978376 0.79902582046658 0.34687126307581 112.411 > 11 29 Cd 0.44742823238272 0.11992493985866 0.01345636082949 112.411 > 13 30 Cd 0.44742823238272 0.61992493985866 0.01345636082949 112.411 > 13 31 Cd 0.65817826978376 0.20097417953342 0.84687126307581 112.411 > 15 32 Cd 0.65817826978376 0.70097417953342 0.84687126307581 112.411 > 15 33 P 0.67599942928076 0.04415717985926 0.30555764999002 30.974 > 33 34 P 0.67599942928076 0.54415717985926 0.30555764999002 30.974 > 33 35 P 0.17599942928076 0.20584282014074 0.80555764999002 30.974 > 35 36 P 0.17599942928076 0.70584282014074 0.80555764999002 30.974 > 35 37 P 0.82400057071924 0.29415717985926 0.19444235000998 30.974 > 37 38 P 0.82400057071924 0.79415717985926 0.19444235000998 30.974 > 37 39 P 0.32400057071924 0.45584282014074 0.69444235000998 30.974 > 39 40 P 0.32400057071924 0.95584282014074 0.69444235000998 30.974 > 39 41 P 0.17599942928076 0.29415717985926 0.30555764999002 30.974 > 33 42 P 0.17599942928076 0.79415717985926 0.30555764999002 30.974 > 33 43 P 0.67599942928076 0.45584282014074 0.80555764999002 30.974 > 35 44 P 0.67599942928076 0.95584282014074 0.80555764999002 30.974 > 35 45 P 0.32400057071924 0.04415717985926 0.19444235000998 30.974 > 37 46 P 0.32400057071924 0.54415717985926 0.19444235000998 30.974 > 37 47 P 0.82400057071924 0.20584282014074 0.69444235000998 30.974 > 39 48 P 0.82400057071924 0.70584282014074 0.69444235000998 30.974 > 39 49 O 0.19189667388961 0.20848732495878 0.41288644728604 15.999 > 49 50 O 0.19189667388961 0.70848732495878 0.41288644728604 15.999 > 49 51 O 0.80810332611039 0.20848732495878 0.08711355271396 15.999 > 51 52 O 0.80810332611039 0.70848732495878 0.08711355271396 15.999 > 51 53 O 0.28822775451640 0.17992837216813 0.81691292823677 15.999 > 53 54 O 0.28822775451640 0.67992837216813 0.81691292823677 15.999 > 53 55 O 0.78822775451640 0.07007162783187 0.31691292823677 15.999 > 55 56 O 0.78822775451640 0.57007162783187 0.31691292823677 15.999 > 55 57 O 0.19189667388961 0.29151267504122 0.91288644728604 15.999 > 57 58 O 0.19189667388961 0.79151267504122 0.91288644728604 15.999 > 57 59 O 0.41238719317846 0.48458346453473 0.85600864600421 15.999 > 59 60 O 0.41238719317846 0.98458346453473 0.85600864600421 15.999 > 59 61 O 0.71177224548360 0.32007162783187 0.18308707176323 15.999 > 61 62 O 0.71177224548360 0.82007162783187 0.18308707176323 15.999 > 61 63 O 0.58761280682154 0.01541653546527 0.14399135399579 15.999 > 63 64 O 0.58761280682154 0.51541653546527 0.14399135399579 15.999 > 63 65 O 0.13239500012539 0.11391737269333 0.84992810039003 15.999 > 65 66 O 0.13239500012539 0.61391737269333 0.84992810039003 15.999 > 65 67 O 0.86760499987461 0.11391737269333 0.65007189960997 15.999 > 67 68 O 0.86760499987461 0.61391737269333 0.65007189960997 15.999 > 67 69 O 0.91238719317846 0.26541653546527 0.35600864600421 15.999 > 69 70 O 0.91238719317846 0.76541653546527 0.35600864600421 15.999 > 69 71 O 0.80810332611039 0.29151267504122 0.58711355271396 15.999 > 71 72 O 0.80810332611039 0.79151267504122 0.58711355271396 15.999 > 71 73 O 0.13239500012539 0.38608262730667 0.34992810039003 15.999 > 73 74 O 0.13239500012539 0.88608262730667 0.34992810039003 15.999 > 73 75 O 0.86760499987461 0.38608262730667 0.15007189960997 15.999 > 75 76 O 0.86760499987461 0.88608262730667 0.15007189960997 15.999 > 75 77 O 0.21177224548360 0.42992837216813 0.68308707176323 15.999 > 77 78 O 0.21177224548360 0.92992837216813 0.68308707176323 15.999 > 77 79 O 0.08761280682154 0.23458346453473 0.64399135399579 15.999 > 79 80 O 0.08761280682154 0.73458346453473 0.64399135399579 15.999 > 79 81 O 0.69189667388961 0.45848732495878 0.41288644728604 15.999 > 49 82 O 0.69189667388961 0.95848732495878 0.41288644728604 15.999 > 49 83 O 0.30810332611039 0.45848732495878 0.08711355271396 15.999 > 51 84 O 0.30810332611039 0.95848732495878 0.08711355271396 15.999 > 51 85 O 0.78822775451640 0.42992837216813 0.81691292823677 15.999 > 53 86 O 0.78822775451640 0.92992837216813 0.81691292823677 15.999 > 53 87 O 0.28822775451640 0.32007162783187 0.31691292823677 15.999 > 55 88 O 0.28822775451640 0.82007162783187 0.31691292823677 15.999 > 55 89 O 0.69189667388961 0.04151267504122 0.91288644728604 15.999 > 57 90 O 0.69189667388961 0.54151267504122 0.91288644728604 15.999 > 57 91 O 0.91238719317846 0.23458346453473 0.85600864600421 15.999 > 59 92 O 0.91238719317846 0.73458346453473 0.85600864600421 15.999 > 59 93 O 0.21177224548360 0.07007162783187 0.18308707176323 15.999 > 61 94 O 0.21177224548360 0.57007162783187 0.18308707176323 15.999 > 61 95 O 0.08761280682154 0.26541653546527 0.14399135399579 15.999 > 63 96 O 0.08761280682154 0.76541653546527 0.14399135399579 15.999 > 63 97 O 0.63239500012539 0.36391737269333 0.84992810039003 15.999 > 65 98 O 0.63239500012539 0.86391737269333 0.84992810039003 15.999 > 65 99 O 0.36760499987461 0.36391737269333 0.65007189960997 15.999 > 67 100 O 0.36760499987461 0.86391737269333 0.65007189960997 15.999 > 67 101 O 0.41238719317846 0.01541653546527 0.35600864600421 15.999 > 69 102 O 0.41238719317846 0.51541653546527 0.35600864600421 15.999 > 69 103 O 0.30810332611039 0.04151267504122 0.58711355271396 15.999 > 71 104 O 0.30810332611039 0.54151267504122 0.58711355271396 15.999 > 71 105 O 0.63239500012539 0.13608262730667 0.34992810039003 15.999 > 73 106 O 0.63239500012539 0.63608262730667 0.34992810039003 15.999 > 73 107 O 0.36760499987461 0.13608262730667 0.15007189960997 15.999 > 75 108 O 0.36760499987461 0.63608262730667 0.15007189960997 15.999 > 75 109 O 0.71177224548360 0.17992837216813 0.68308707176323 15.999 > 77 110 O 0.71177224548360 0.67992837216813 0.68308707176323 15.999 > 77 111 O 0.58761280682154 0.48458346453473 0.64399135399579 15.999 > 79 112 O 0.58761280682154 0.98458346453473 0.64399135399579 15.999 > 79 113 F 0.98699220301767 0.04058658751680 0.10963184792278 18.998 > 113 114 F 0.98699220301767 0.54058658751680 0.10963184792278 18.998 > 113 115 F 0.01300779698233 0.45941341248320 0.89036815207722 18.998 > 115 116 F 0.01300779698233 0.95941341248320 0.89036815207722 18.998 > 115 117 F 0.98699220301767 0.45941341248320 0.60963184792278 18.998 > 117 118 F 0.98699220301767 0.95941341248320 0.60963184792278 18.998 > 117 119 F 0.01300779698233 0.04058658751680 0.39036815207722 18.998 > 119 120 F 0.01300779698233 0.54058658751680 0.39036815207722 18.998 > 119 121 F 0.48699220301767 0.29058658751680 0.10963184792278 18.998 > 113 122 F 0.48699220301767 0.79058658751680 0.10963184792278 18.998 > 113 123 F 0.51300779698233 0.20941341248320 0.89036815207722 18.998 > 115 124 F 0.51300779698233 0.70941341248320 0.89036815207722 18.998 > 115 125 F 0.48699220301767 0.20941341248320 0.60963184792278 18.998 > 117 126 F 0.48699220301767 0.70941341248320 0.60963184792278 18.998 > 117 127 F 0.51300779698233 0.29058658751680 0.39036815207722 18.998 > 119 128 F 0.51300779698233 0.79058658751680 0.39036815207722 18.998 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1179197 0.0000000 -0.0084414 0.0000000 3.2120655 0.0000000 -0.0084417 0.0000000 3.2398333 -------------------------- Born effective charges -------------------------- 1 Cd 2.3013957 0.1771890 -0.1141935 0.1729010 2.5944113 0.0025599 -0.0201156 -0.0247231 2.4376899 2 Cd 2.3013957 -0.1771890 -0.1141935 -0.1729010 2.5944113 -0.0025599 -0.0201156 0.0247231 2.4376899 3 Cd 2.4261198 0.1636609 0.0013826 0.0865866 2.3603426 0.0790100 0.0073144 0.0432316 2.5980010 4 Cd 2.4261198 -0.1636609 0.0013826 -0.0865866 2.3603426 -0.0790100 0.0073144 -0.0432316 2.5980010 5 Cd 2.4261198 0.1636609 0.0013826 0.0865866 2.3603426 0.0790100 0.0073144 0.0432316 2.5980010 6 Cd 2.3013957 0.1771890 -0.1141935 0.1729010 2.5944113 0.0025599 -0.0201156 -0.0247231 2.4376899 7 Cd 2.4261198 -0.1636609 0.0013826 -0.0865866 2.3603426 -0.0790100 0.0073144 -0.0432316 2.5980010 8 Cd 2.3013957 -0.1771890 -0.1141935 -0.1729010 2.5944113 -0.0025599 -0.0201156 0.0247231 2.4376899 9 P 3.5392392 -0.1222925 0.1898399 0.0369129 3.3380937 -0.1403900 -0.0697391 0.0795419 3.4767889 10 P 3.5392392 0.1222925 0.1898399 -0.0369129 3.3380937 0.1403900 -0.0697391 -0.0795419 3.4767889 11 P 3.5392392 0.1222925 0.1898399 -0.0369129 3.3380937 0.1403900 -0.0697391 -0.0795419 3.4767889 12 P 3.5392392 -0.1222925 0.1898399 0.0369129 3.3380937 -0.1403900 -0.0697391 0.0795419 3.4767889 13 O -1.0798208 -0.1359449 0.0419527 -0.2271304 -2.2502977 0.5646569 0.0723718 0.5146180 -1.9199205 14 O -1.0798208 0.1359449 0.0419527 0.2271304 -2.2502977 -0.5646569 0.0723718 -0.5146180 -1.9199205 15 O -2.6271813 0.3165499 0.0034431 0.3694543 -1.1800756 0.1346547 0.0408084 0.1631304 -1.4334503 16 O -2.6271813 -0.3165499 0.0034431 -0.3694543 -1.1800756 -0.1346547 0.0408084 -0.1631304 -1.4334503 17 O -1.0798208 0.1359449 0.0419527 0.2271304 -2.2502977 -0.5646569 0.0723718 -0.5146180 -1.9199205 18 O -1.2924496 0.2047072 -0.4883592 0.1225028 -1.4337703 -0.3283752 -0.4373679 -0.3059528 -2.5710727 19 O -2.6271813 0.3165499 0.0034431 0.3694543 -1.1800756 0.1346547 0.0408084 0.1631304 -1.4334503 20 O -1.2924496 0.2047072 -0.4883592 0.1225028 -1.4337703 -0.3283752 -0.4373679 -0.3059528 -2.5710727 21 O -1.7485686 -0.5062121 0.3307063 -0.4949210 -2.2206263 0.3240206 0.3691406 0.3433748 -1.4001622 22 O -1.7485686 0.5062121 0.3307063 0.4949210 -2.2206263 -0.3240206 0.3691406 -0.3433748 -1.4001622 23 O -1.2924496 -0.2047072 -0.4883592 -0.1225028 -1.4337703 0.3283752 -0.4373679 0.3059528 -2.5710727 24 O -1.0798208 -0.1359449 0.0419527 -0.2271304 -2.2502977 0.5646569 0.0723718 0.5146180 -1.9199205 25 O -1.7485686 0.5062121 0.3307063 0.4949210 -2.2206263 -0.3240206 0.3691406 -0.3433748 -1.4001622 26 O -1.7485686 -0.5062121 0.3307063 -0.4949210 -2.2206263 0.3240206 0.3691406 0.3433748 -1.4001622 27 O -2.6271813 -0.3165499 0.0034431 -0.3694543 -1.1800756 -0.1346547 0.0408084 -0.1631304 -1.4334503 28 O -1.2924496 -0.2047072 -0.4883592 -0.1225028 -1.4337703 0.3283752 -0.4373679 0.3059528 -2.5710727 29 F -1.5187343 -0.2300925 0.0352281 -0.1969450 -1.2080777 0.0268438 0.0375874 -0.0461987 -1.1878741 30 F -1.5187343 -0.2300925 0.0352281 -0.1969450 -1.2080777 0.0268438 0.0375874 -0.0461987 -1.1878741 31 F -1.5187343 0.2300925 0.0352281 0.1969450 -1.2080777 -0.0268438 0.0375874 0.0461987 -1.1878741 32 F -1.5187343 0.2300925 0.0352281 0.1969450 -1.2080777 -0.0268438 0.0375874 0.0461987 -1.1878741 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 5, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 59, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 113, 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 13:48:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:48:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.984282795067495 -3.358932185000000 0.000000000000000 b 6.984282795067495 3.358932185000000 0.000000000000000 c -5.530668035608963 0.000000000000000 9.044980474561351 Atomic positions (fractional): 1 Cd 0.93987337114940 0.74377008928307 0.65312873692419 112.411 2 Cd 0.74377008928307 0.93987337114940 0.15312873692419 112.411 3 Cd 0.31272188789997 0.79242164733459 0.48654363917051 112.411 4 Cd 0.79242164733459 0.31272188789997 0.98654363917051 112.411 5 Cd 0.68727811210003 0.20757835266541 0.51345636082949 112.411 6 Cd 0.06012662885060 0.25622991071693 0.34687126307581 112.411 7 Cd 0.20757835266541 0.68727811210004 0.01345636082949 112.411 8 Cd 0.25622991071693 0.06012662885060 0.84687126307581 112.411 9 P 0.58768506956224 0.76431378899929 0.30555764999002 30.974 10 P 0.76431378899929 0.58768506956224 0.80555764999002 30.974 11 P 0.23568621100071 0.41231493043776 0.19444235000998 30.974 12 P 0.41231493043776 0.23568621100071 0.69444235000998 30.974 13 O 0.77492202397206 0.60887132380717 0.41288644728604 15.999 14 O 0.39112867619284 0.22507797602794 0.08711355271396 15.999 15 O 0.92837101018014 0.64808449885267 0.81691292823677 15.999 16 O 0.64808449885267 0.92837101018014 0.31691292823677 15.999 17 O 0.60887132380717 0.77492202397206 0.91288644728604 15.999 18 O 0.44322026410901 0.38155412224792 0.85600864600421 15.999 19 O 0.07162898981986 0.35191550114733 0.18308707176323 15.999 20 O 0.55677973589099 0.61844587775208 0.14399135399579 15.999 21 O 0.90456025473873 0.36022974551204 0.84992810039003 15.999 22 O 0.63977025448796 0.09543974526127 0.65007189960997 15.999 23 O 0.38155412224792 0.44322026410901 0.35600864600421 15.999 24 O 0.22507797602794 0.39112867619284 0.58711355271396 15.999 25 O 0.36022974551204 0.90456025473873 0.34992810039003 15.999 26 O 0.09543974526127 0.63977025448796 0.15007189960997 15.999 27 O 0.35191550114733 0.07162898981986 0.68308707176323 15.999 28 O 0.61844587775208 0.55677973589099 0.64399135399579 15.999 29 F 0.90581902798407 0.06816537805127 0.10963184792278 18.998 30 F 0.09418097201593 0.93183462194873 0.89036815207722 18.998 31 F 0.06816537805127 0.90581902798407 0.60963184792278 18.998 32 F 0.93183462194873 0.09418097201593 0.39036815207722 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.968565590134990 0.000000000000000 0.000000000000000 b 0.000000000000000 13.435728740000000 0.000000000000000 c -5.530668035608963 0.000000000000000 9.044980474561351 Atomic positions (fractional): 1 Cd 0.84182173021624 0.45097417953342 0.65312873692419 112.411 > 1 2 Cd 0.84182173021624 0.95097417953342 0.65312873692419 112.411 > 1 3 Cd 0.84182173021624 0.04902582046658 0.15312873692419 112.411 > 3 4 Cd 0.84182173021624 0.54902582046658 0.15312873692419 112.411 > 3 5 Cd 0.05257176761728 0.36992493985866 0.48654363917051 112.411 > 5 6 Cd 0.05257176761728 0.86992493985866 0.48654363917051 112.411 > 5 7 Cd 0.05257176761728 0.13007506014134 0.98654363917051 112.411 > 7 8 Cd 0.05257176761728 0.63007506014134 0.98654363917051 112.411 > 7 9 Cd 0.94742823238272 0.13007506014134 0.51345636082949 112.411 > 9 10 Cd 0.94742823238272 0.63007506014134 0.51345636082949 112.411 > 9 11 Cd 0.15817826978376 0.04902582046658 0.34687126307581 112.411 > 11 12 Cd 0.15817826978376 0.54902582046658 0.34687126307581 112.411 > 11 13 Cd 0.94742823238272 0.36992493985866 0.01345636082949 112.411 > 13 14 Cd 0.94742823238272 0.86992493985866 0.01345636082949 112.411 > 13 15 Cd 0.15817826978376 0.45097417953342 0.84687126307581 112.411 > 15 16 Cd 0.15817826978376 0.95097417953342 0.84687126307581 112.411 > 15 17 Cd 0.34182173021624 0.20097417953342 0.65312873692419 112.411 > 1 18 Cd 0.34182173021624 0.70097417953342 0.65312873692419 112.411 > 1 19 Cd 0.34182173021624 0.29902582046658 0.15312873692419 112.411 > 3 20 Cd 0.34182173021624 0.79902582046658 0.15312873692419 112.411 > 3 21 Cd 0.55257176761728 0.11992493985866 0.48654363917051 112.411 > 5 22 Cd 0.55257176761728 0.61992493985866 0.48654363917051 112.411 > 5 23 Cd 0.55257176761728 0.38007506014134 0.98654363917051 112.411 > 7 24 Cd 0.55257176761728 0.88007506014134 0.98654363917051 112.411 > 7 25 Cd 0.44742823238272 0.38007506014134 0.51345636082949 112.411 > 9 26 Cd 0.44742823238272 0.88007506014134 0.51345636082949 112.411 > 9 27 Cd 0.65817826978376 0.29902582046658 0.34687126307581 112.411 > 11 28 Cd 0.65817826978376 0.79902582046658 0.34687126307581 112.411 > 11 29 Cd 0.44742823238272 0.11992493985866 0.01345636082949 112.411 > 13 30 Cd 0.44742823238272 0.61992493985866 0.01345636082949 112.411 > 13 31 Cd 0.65817826978376 0.20097417953342 0.84687126307581 112.411 > 15 32 Cd 0.65817826978376 0.70097417953342 0.84687126307581 112.411 > 15 33 P 0.67599942928076 0.04415717985926 0.30555764999002 30.974 > 33 34 P 0.67599942928076 0.54415717985926 0.30555764999002 30.974 > 33 35 P 0.17599942928076 0.20584282014074 0.80555764999002 30.974 > 35 36 P 0.17599942928076 0.70584282014074 0.80555764999002 30.974 > 35 37 P 0.82400057071924 0.29415717985926 0.19444235000998 30.974 > 37 38 P 0.82400057071924 0.79415717985926 0.19444235000998 30.974 > 37 39 P 0.32400057071924 0.45584282014074 0.69444235000998 30.974 > 39 40 P 0.32400057071924 0.95584282014074 0.69444235000998 30.974 > 39 41 P 0.17599942928076 0.29415717985926 0.30555764999002 30.974 > 33 42 P 0.17599942928076 0.79415717985926 0.30555764999002 30.974 > 33 43 P 0.67599942928076 0.45584282014074 0.80555764999002 30.974 > 35 44 P 0.67599942928076 0.95584282014074 0.80555764999002 30.974 > 35 45 P 0.32400057071924 0.04415717985926 0.19444235000998 30.974 > 37 46 P 0.32400057071924 0.54415717985926 0.19444235000998 30.974 > 37 47 P 0.82400057071924 0.20584282014074 0.69444235000998 30.974 > 39 48 P 0.82400057071924 0.70584282014074 0.69444235000998 30.974 > 39 49 O 0.19189667388961 0.20848732495878 0.41288644728604 15.999 > 49 50 O 0.19189667388961 0.70848732495878 0.41288644728604 15.999 > 49 51 O 0.80810332611039 0.20848732495878 0.08711355271396 15.999 > 51 52 O 0.80810332611039 0.70848732495878 0.08711355271396 15.999 > 51 53 O 0.28822775451640 0.17992837216813 0.81691292823677 15.999 > 53 54 O 0.28822775451640 0.67992837216813 0.81691292823677 15.999 > 53 55 O 0.78822775451640 0.07007162783187 0.31691292823677 15.999 > 55 56 O 0.78822775451640 0.57007162783187 0.31691292823677 15.999 > 55 57 O 0.19189667388961 0.29151267504122 0.91288644728604 15.999 > 57 58 O 0.19189667388961 0.79151267504122 0.91288644728604 15.999 > 57 59 O 0.41238719317846 0.48458346453473 0.85600864600421 15.999 > 59 60 O 0.41238719317846 0.98458346453473 0.85600864600421 15.999 > 59 61 O 0.71177224548360 0.32007162783187 0.18308707176323 15.999 > 61 62 O 0.71177224548360 0.82007162783187 0.18308707176323 15.999 > 61 63 O 0.58761280682154 0.01541653546527 0.14399135399579 15.999 > 63 64 O 0.58761280682154 0.51541653546527 0.14399135399579 15.999 > 63 65 O 0.13239500012539 0.11391737269333 0.84992810039003 15.999 > 65 66 O 0.13239500012539 0.61391737269333 0.84992810039003 15.999 > 65 67 O 0.86760499987461 0.11391737269333 0.65007189960997 15.999 > 67 68 O 0.86760499987461 0.61391737269333 0.65007189960997 15.999 > 67 69 O 0.91238719317846 0.26541653546527 0.35600864600421 15.999 > 69 70 O 0.91238719317846 0.76541653546527 0.35600864600421 15.999 > 69 71 O 0.80810332611039 0.29151267504122 0.58711355271396 15.999 > 71 72 O 0.80810332611039 0.79151267504122 0.58711355271396 15.999 > 71 73 O 0.13239500012539 0.38608262730667 0.34992810039003 15.999 > 73 74 O 0.13239500012539 0.88608262730667 0.34992810039003 15.999 > 73 75 O 0.86760499987461 0.38608262730667 0.15007189960997 15.999 > 75 76 O 0.86760499987461 0.88608262730667 0.15007189960997 15.999 > 75 77 O 0.21177224548360 0.42992837216813 0.68308707176323 15.999 > 77 78 O 0.21177224548360 0.92992837216813 0.68308707176323 15.999 > 77 79 O 0.08761280682154 0.23458346453473 0.64399135399579 15.999 > 79 80 O 0.08761280682154 0.73458346453473 0.64399135399579 15.999 > 79 81 O 0.69189667388961 0.45848732495878 0.41288644728604 15.999 > 49 82 O 0.69189667388961 0.95848732495878 0.41288644728604 15.999 > 49 83 O 0.30810332611039 0.45848732495878 0.08711355271396 15.999 > 51 84 O 0.30810332611039 0.95848732495878 0.08711355271396 15.999 > 51 85 O 0.78822775451640 0.42992837216813 0.81691292823677 15.999 > 53 86 O 0.78822775451640 0.92992837216813 0.81691292823677 15.999 > 53 87 O 0.28822775451640 0.32007162783187 0.31691292823677 15.999 > 55 88 O 0.28822775451640 0.82007162783187 0.31691292823677 15.999 > 55 89 O 0.69189667388961 0.04151267504122 0.91288644728604 15.999 > 57 90 O 0.69189667388961 0.54151267504122 0.91288644728604 15.999 > 57 91 O 0.91238719317846 0.23458346453473 0.85600864600421 15.999 > 59 92 O 0.91238719317846 0.73458346453473 0.85600864600421 15.999 > 59 93 O 0.21177224548360 0.07007162783187 0.18308707176323 15.999 > 61 94 O 0.21177224548360 0.57007162783187 0.18308707176323 15.999 > 61 95 O 0.08761280682154 0.26541653546527 0.14399135399579 15.999 > 63 96 O 0.08761280682154 0.76541653546527 0.14399135399579 15.999 > 63 97 O 0.63239500012539 0.36391737269333 0.84992810039003 15.999 > 65 98 O 0.63239500012539 0.86391737269333 0.84992810039003 15.999 > 65 99 O 0.36760499987461 0.36391737269333 0.65007189960997 15.999 > 67 100 O 0.36760499987461 0.86391737269333 0.65007189960997 15.999 > 67 101 O 0.41238719317846 0.01541653546527 0.35600864600421 15.999 > 69 102 O 0.41238719317846 0.51541653546527 0.35600864600421 15.999 > 69 103 O 0.30810332611039 0.04151267504122 0.58711355271396 15.999 > 71 104 O 0.30810332611039 0.54151267504122 0.58711355271396 15.999 > 71 105 O 0.63239500012539 0.13608262730667 0.34992810039003 15.999 > 73 106 O 0.63239500012539 0.63608262730667 0.34992810039003 15.999 > 73 107 O 0.36760499987461 0.13608262730667 0.15007189960997 15.999 > 75 108 O 0.36760499987461 0.63608262730667 0.15007189960997 15.999 > 75 109 O 0.71177224548360 0.17992837216813 0.68308707176323 15.999 > 77 110 O 0.71177224548360 0.67992837216813 0.68308707176323 15.999 > 77 111 O 0.58761280682154 0.48458346453473 0.64399135399579 15.999 > 79 112 O 0.58761280682154 0.98458346453473 0.64399135399579 15.999 > 79 113 F 0.98699220301767 0.04058658751680 0.10963184792278 18.998 > 113 114 F 0.98699220301767 0.54058658751680 0.10963184792278 18.998 > 113 115 F 0.01300779698233 0.45941341248320 0.89036815207722 18.998 > 115 116 F 0.01300779698233 0.95941341248320 0.89036815207722 18.998 > 115 117 F 0.98699220301767 0.45941341248320 0.60963184792278 18.998 > 117 118 F 0.98699220301767 0.95941341248320 0.60963184792278 18.998 > 117 119 F 0.01300779698233 0.04058658751680 0.39036815207722 18.998 > 119 120 F 0.01300779698233 0.54058658751680 0.39036815207722 18.998 > 119 121 F 0.48699220301767 0.29058658751680 0.10963184792278 18.998 > 113 122 F 0.48699220301767 0.79058658751680 0.10963184792278 18.998 > 113 123 F 0.51300779698233 0.20941341248320 0.89036815207722 18.998 > 115 124 F 0.51300779698233 0.70941341248320 0.89036815207722 18.998 > 115 125 F 0.48699220301767 0.20941341248320 0.60963184792278 18.998 > 117 126 F 0.48699220301767 0.70941341248320 0.60963184792278 18.998 > 117 127 F 0.51300779698233 0.29058658751680 0.39036815207722 18.998 > 119 128 F 0.51300779698233 0.79058658751680 0.39036815207722 18.998 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1179197 0.0000000 -0.0084414 0.0000000 3.2120655 0.0000000 -0.0084417 0.0000000 3.2398333 -------------------------- Born effective charges -------------------------- 1 Cd 2.3013957 0.1771890 -0.1141935 0.1729010 2.5944113 0.0025599 -0.0201156 -0.0247231 2.4376899 2 Cd 2.3013957 -0.1771890 -0.1141935 -0.1729010 2.5944113 -0.0025599 -0.0201156 0.0247231 2.4376899 3 Cd 2.4261198 0.1636609 0.0013826 0.0865866 2.3603426 0.0790100 0.0073144 0.0432316 2.5980010 4 Cd 2.4261198 -0.1636609 0.0013826 -0.0865866 2.3603426 -0.0790100 0.0073144 -0.0432316 2.5980010 5 Cd 2.4261198 0.1636609 0.0013826 0.0865866 2.3603426 0.0790100 0.0073144 0.0432316 2.5980010 6 Cd 2.3013957 0.1771890 -0.1141935 0.1729010 2.5944113 0.0025599 -0.0201156 -0.0247231 2.4376899 7 Cd 2.4261198 -0.1636609 0.0013826 -0.0865866 2.3603426 -0.0790100 0.0073144 -0.0432316 2.5980010 8 Cd 2.3013957 -0.1771890 -0.1141935 -0.1729010 2.5944113 -0.0025599 -0.0201156 0.0247231 2.4376899 9 P 3.5392392 -0.1222925 0.1898399 0.0369129 3.3380937 -0.1403900 -0.0697391 0.0795419 3.4767889 10 P 3.5392392 0.1222925 0.1898399 -0.0369129 3.3380937 0.1403900 -0.0697391 -0.0795419 3.4767889 11 P 3.5392392 0.1222925 0.1898399 -0.0369129 3.3380937 0.1403900 -0.0697391 -0.0795419 3.4767889 12 P 3.5392392 -0.1222925 0.1898399 0.0369129 3.3380937 -0.1403900 -0.0697391 0.0795419 3.4767889 13 O -1.0798208 -0.1359449 0.0419527 -0.2271304 -2.2502977 0.5646569 0.0723718 0.5146180 -1.9199205 14 O -1.0798208 0.1359449 0.0419527 0.2271304 -2.2502977 -0.5646569 0.0723718 -0.5146180 -1.9199205 15 O -2.6271813 0.3165499 0.0034431 0.3694543 -1.1800756 0.1346547 0.0408084 0.1631304 -1.4334503 16 O -2.6271813 -0.3165499 0.0034431 -0.3694543 -1.1800756 -0.1346547 0.0408084 -0.1631304 -1.4334503 17 O -1.0798208 0.1359449 0.0419527 0.2271304 -2.2502977 -0.5646569 0.0723718 -0.5146180 -1.9199205 18 O -1.2924496 0.2047072 -0.4883592 0.1225028 -1.4337703 -0.3283752 -0.4373679 -0.3059528 -2.5710727 19 O -2.6271813 0.3165499 0.0034431 0.3694543 -1.1800756 0.1346547 0.0408084 0.1631304 -1.4334503 20 O -1.2924496 0.2047072 -0.4883592 0.1225028 -1.4337703 -0.3283752 -0.4373679 -0.3059528 -2.5710727 21 O -1.7485686 -0.5062121 0.3307063 -0.4949210 -2.2206263 0.3240206 0.3691406 0.3433748 -1.4001622 22 O -1.7485686 0.5062121 0.3307063 0.4949210 -2.2206263 -0.3240206 0.3691406 -0.3433748 -1.4001622 23 O -1.2924496 -0.2047072 -0.4883592 -0.1225028 -1.4337703 0.3283752 -0.4373679 0.3059528 -2.5710727 24 O -1.0798208 -0.1359449 0.0419527 -0.2271304 -2.2502977 0.5646569 0.0723718 0.5146180 -1.9199205 25 O -1.7485686 0.5062121 0.3307063 0.4949210 -2.2206263 -0.3240206 0.3691406 -0.3433748 -1.4001622 26 O -1.7485686 -0.5062121 0.3307063 -0.4949210 -2.2206263 0.3240206 0.3691406 0.3433748 -1.4001622 27 O -2.6271813 -0.3165499 0.0034431 -0.3694543 -1.1800756 -0.1346547 0.0408084 -0.1631304 -1.4334503 28 O -1.2924496 -0.2047072 -0.4883592 -0.1225028 -1.4337703 0.3283752 -0.4373679 0.3059528 -2.5710727 29 F -1.5187343 -0.2300925 0.0352281 -0.1969450 -1.2080777 0.0268438 0.0375874 -0.0461987 -1.1878741 30 F -1.5187343 -0.2300925 0.0352281 -0.1969450 -1.2080777 0.0268438 0.0375874 -0.0461987 -1.1878741 31 F -1.5187343 0.2300925 0.0352281 0.1969450 -1.2080777 -0.0268438 0.0375874 0.0461987 -1.1878741 32 F -1.5187343 0.2300925 0.0352281 0.1969450 -1.2080777 -0.0268438 0.0375874 0.0461987 -1.1878741 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 303, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.990 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.803 ( 0.000 0.000 0.000) 0.000 11.584 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 11.808 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 13.133 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 14.292 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 15.974 ( 0.000 0.000 0.000) 0.000 16.147 ( 0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 16.652 ( 0.000 0.000 0.000) 0.000 16.665 ( 0.000 0.000 0.000) 0.000 16.689 ( 0.000 0.000 0.000) 0.000 16.705 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 17.309 ( 0.000 0.000 0.000) 0.000 17.438 ( 0.000 0.000 0.000) 0.000 17.587 ( 0.000 0.000 0.000) 0.000 27.487 ( 0.000 0.000 0.000) 0.000 27.645 ( 0.000 0.000 0.000) 0.000 27.850 ( 0.000 0.000 0.000) 0.000 27.940 ( 0.000 0.000 0.000) 0.000 28.905 ( 0.000 0.000 0.000) 0.000 28.965 ( 0.000 0.000 0.000) 0.000 29.188 ( 0.000 0.000 0.000) 0.000 29.265 ( 0.000 0.000 0.000) 0.000 29.340 ( 0.000 0.000 0.000) 0.000 29.401 ( 0.000 0.000 0.000) 0.000 29.883 ( 0.000 0.000 0.000) 0.000 30.083 ( 0.000 0.000 0.000) 0.000 30.281 ( 0.000 0.000 0.000) 0.000 30.683 ( 0.000 0.000 0.000) 0.000 31.023 ( 0.000 0.000 0.000) 0.000 31.844 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 16.883 -17.893 1.767) 24.664 0.514 ( 12.207 -21.613 9.949) 26.742 1.026 ( 14.323 -48.074 12.461) 51.687 1.775 ( -0.695 -0.092 0.623) 0.938 1.942 ( -0.820 -8.703 -1.848) 8.935 1.993 ( -1.816 -3.710 1.459) 4.381 2.069 ( 2.155 -3.711 -1.940) 4.709 2.189 ( -1.378 -3.995 2.613) 4.968 2.222 ( 2.580 -1.932 -0.267) 3.234 2.436 ( -3.701 3.431 -0.851) 5.118 2.497 ( 0.501 -0.231 -5.161) 5.190 2.721 ( -1.302 -7.936 1.487) 8.179 2.842 ( -0.617 -8.728 -0.773) 8.784 2.929 ( -5.664 3.585 2.734) 7.239 2.988 ( 5.243 -2.571 -7.638) 9.614 3.149 ( -2.907 -4.531 1.889) 5.705 3.254 ( -3.356 0.363 2.669) 4.304 3.328 ( -0.172 -2.004 -1.092) 2.289 3.351 ( -1.780 -7.030 5.110) 8.871 3.453 ( 2.690 5.505 3.344) 6.980 3.764 ( -10.467 -2.350 -1.871) 10.889 3.831 ( -0.733 -2.947 -0.785) 3.136 3.933 ( -5.809 -1.345 6.151) 8.566 4.035 ( -0.465 -3.778 -2.428) 4.515 4.134 ( 10.665 -1.143 0.579) 10.741 4.258 ( 9.442 -2.421 -0.086) 9.748 4.387 ( 1.184 2.793 3.251) 4.447 4.494 ( -5.414 0.604 7.933) 9.624 4.563 ( 3.119 -4.229 4.537) 6.942 4.933 ( 5.922 10.776 5.266) 13.376 4.972 ( 0.188 1.232 -0.636) 1.400 5.097 ( 5.087 1.287 2.349) 5.749 5.144 ( -0.165 -0.861 -0.951) 1.293 5.374 ( -10.522 1.228 0.088) 10.594 5.496 ( 5.149 5.164 -4.227) 8.429 5.645 ( -2.635 -0.708 -0.946) 2.888 5.762 ( -3.502 2.143 -0.457) 4.131 5.908 ( -0.236 4.785 0.876) 4.871 6.114 ( 1.983 1.226 -1.150) 2.599 6.226 ( 1.949 -2.088 -3.372) 4.419 6.378 ( 1.974 -0.159 -0.606) 2.071 6.501 ( 1.470 -7.905 1.170) 8.125 6.723 ( 1.214 1.249 -6.253) 6.491 6.786 ( 4.195 1.161 -4.579) 6.317 7.256 ( -0.893 6.810 5.858) 9.027 7.399 ( 1.157 2.340 1.698) 3.114 7.429 ( 0.122 4.683 0.145) 4.687 7.912 ( -26.643 -6.673 -4.708) 27.866 8.181 ( 2.866 9.784 2.265) 10.444 8.673 ( -1.627 -4.502 -3.125) 5.716 8.970 ( 4.358 5.016 11.779) 13.524 9.102 ( -5.052 0.092 -4.629) 6.853 9.373 ( -5.903 2.296 0.864) 6.392 9.618 ( -13.347 5.475 12.286) 18.948 9.887 ( 13.240 12.399 -9.827) 20.630 9.908 ( 1.743 10.429 0.020) 10.574 10.091 ( 14.978 0.738 -6.536) 16.359 10.291 ( -0.366 2.583 0.466) 2.650 10.639 ( 0.987 -3.717 -3.900) 5.477 10.819 ( -1.324 -2.419 -0.120) 2.760 11.588 ( 1.440 0.056 -0.894) 1.696 11.759 ( 0.734 1.182 0.471) 1.469 11.843 ( 1.021 -1.981 -0.507) 2.285 11.977 ( 6.491 1.606 0.758) 6.729 13.175 ( -0.638 -5.216 0.056) 5.255 13.509 ( -0.308 -0.865 1.425) 1.695 13.780 ( 0.500 -0.241 -1.205) 1.326 14.273 ( 0.382 2.595 0.254) 2.635 15.963 ( 1.127 2.236 1.135) 2.749 16.016 ( 6.823 5.022 5.056) 9.866 16.142 ( 1.018 0.870 -0.133) 1.346 16.322 ( 0.304 1.164 0.514) 1.308 16.642 ( -0.788 0.782 0.220) 1.131 16.685 ( -1.211 -0.652 0.961) 1.677 16.701 ( 0.802 -2.883 0.486) 3.032 16.894 ( -1.423 -3.220 -4.971) 6.091 17.045 ( 0.885 -0.403 0.345) 1.031 17.314 ( -0.202 -0.583 -0.163) 0.638 17.596 ( 0.125 -0.940 -0.206) 0.970 17.635 ( -6.927 -5.407 -6.460) 10.906 27.506 ( 0.522 -1.633 0.848) 1.913 27.672 ( -1.014 -1.054 -0.285) 1.490 27.844 ( -0.149 0.235 -1.185) 1.217 27.935 ( -0.502 0.205 -0.649) 0.846 28.902 ( 0.357 3.645 0.363) 3.680 29.003 ( 1.326 3.922 11.051) 11.801 29.208 ( -0.047 -0.758 -1.154) 1.381 29.288 ( 0.225 -2.223 -0.233) 2.246 29.361 ( -6.348 1.641 4.678) 8.054 29.743 ( -0.698 6.951 -1.207) 7.090 30.055 ( -34.276 -17.755 6.576) 39.158 30.194 ( -0.317 -9.716 -1.848) 9.895 30.717 ( 4.395 -1.037 2.169) 5.009 31.037 ( 2.269 -1.326 -2.745) 3.800 31.761 ( 33.493 16.120 -6.120) 37.671 31.799 ( 2.607 4.975 -3.635) 6.690 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 14.930 -15.924 2.479) 21.969 0.995 ( 11.462 -19.692 7.920) 24.123 1.795 ( -0.788 -2.301 2.267) 3.325 1.808 ( 8.858 -20.450 4.344) 22.705 2.041 ( 3.493 -5.514 -2.327) 6.929 2.084 ( 0.291 -4.813 2.739) 5.546 2.103 ( -3.800 -5.583 2.870) 7.338 2.292 ( -2.246 -7.944 0.694) 8.285 2.299 ( 0.160 -5.621 -4.584) 7.255 2.370 ( 0.828 -0.247 -2.723) 2.857 2.552 ( -1.233 -5.760 0.834) 5.950 2.804 ( -2.238 2.000 -1.714) 3.456 2.862 ( -4.884 -8.158 -0.345) 9.515 2.977 ( -0.368 -7.704 -0.046) 7.713 3.107 ( 4.202 -7.512 -2.443) 8.947 3.128 ( -7.255 5.633 3.378) 9.787 3.230 ( 0.577 -3.913 3.918) 5.567 3.373 ( -4.844 -4.148 1.736) 6.609 3.399 ( 2.698 -1.073 -2.887) 4.095 3.545 ( 0.209 -7.617 2.991) 8.186 3.782 ( -9.245 -10.087 2.851) 13.977 3.916 ( 4.712 -3.499 3.165) 6.668 3.971 ( -7.191 -7.185 4.001) 10.924 4.084 ( -1.704 -4.910 -2.009) 5.572 4.205 ( 5.892 0.208 -4.240) 7.262 4.330 ( 3.062 2.658 4.192) 5.832 4.419 ( 6.130 -5.670 -2.240) 8.646 4.493 ( -0.450 -0.914 -2.505) 2.704 4.715 ( 3.707 -5.056 7.631) 9.876 4.818 ( 1.952 7.269 2.602) 7.964 4.938 ( -2.990 0.650 -1.819) 3.560 5.111 ( 0.863 0.588 1.423) 1.765 5.149 ( -0.393 -0.767 -2.872) 2.999 5.286 ( -6.855 -0.403 -2.435) 7.285 5.421 ( 1.589 4.347 -2.567) 5.292 5.612 ( -3.179 2.175 -2.331) 4.502 5.672 ( -4.256 2.025 -0.790) 4.779 5.800 ( 0.463 8.490 1.412) 8.620 6.161 ( 2.765 -4.193 -0.622) 5.061 6.254 ( 4.952 -1.198 -5.564) 7.544 6.381 ( 3.198 1.910 -0.463) 3.754 6.643 ( -2.626 -2.734 1.525) 4.086 6.687 ( 2.612 -0.434 3.903) 4.717 6.769 ( 5.359 2.074 -6.417) 8.613 7.152 ( 1.147 7.643 0.095) 7.729 7.310 ( 0.155 9.623 -0.460) 9.635 7.336 ( 0.038 7.553 4.780) 8.938 7.753 ( -19.375 2.129 2.361) 19.634 8.064 ( 6.368 8.430 0.801) 10.595 8.719 ( 2.571 -1.687 -1.465) 3.406 8.919 ( 1.294 7.537 -1.884) 7.876 9.036 ( -6.513 -0.192 -4.696) 8.032 9.253 ( -10.896 4.170 2.015) 11.839 9.441 ( -2.068 13.720 6.571) 15.352 9.703 ( 2.567 11.589 -2.196) 12.071 9.756 ( 5.995 11.013 -1.670) 12.650 10.149 ( 5.090 -0.671 -2.215) 5.592 10.255 ( 0.054 1.868 1.497) 2.394 10.687 ( 2.835 -1.495 -0.733) 3.288 10.850 ( -1.404 -2.334 -0.211) 2.732 11.591 ( 1.566 0.265 -1.862) 2.447 11.760 ( 1.480 0.660 2.514) 2.991 11.879 ( 1.933 -1.521 -2.041) 3.196 12.013 ( 2.265 -0.688 2.236) 3.257 13.285 ( -0.936 -8.292 0.110) 8.346 13.534 ( -0.238 -1.153 2.057) 2.370 13.787 ( 0.621 -1.072 -1.712) 2.113 14.215 ( 0.618 4.924 0.330) 4.974 15.934 ( 0.709 2.384 0.504) 2.538 16.010 ( 1.323 1.624 0.994) 2.319 16.140 ( 1.732 0.357 -0.474) 1.831 16.307 ( 0.343 0.964 0.148) 1.033 16.621 ( -1.671 0.704 0.910) 2.029 16.683 ( -0.920 0.129 0.470) 1.041 16.782 ( -0.061 -5.150 1.729) 5.433 16.915 ( -0.435 -2.443 -3.285) 4.117 17.066 ( 2.020 -0.688 0.058) 2.135 17.318 ( -0.712 -0.205 -0.217) 0.772 17.614 ( -0.086 -1.298 -0.426) 1.369 17.640 ( -2.804 -2.903 -3.777) 5.528 27.555 ( 0.867 -2.765 1.270) 3.164 27.683 ( -0.703 -0.997 0.437) 1.296 27.830 ( -0.279 0.323 -2.004) 2.049 27.920 ( -0.904 0.416 -1.017) 1.423 28.844 ( 2.595 5.199 3.397) 6.731 29.009 ( 1.175 1.882 4.806) 5.293 29.180 ( -3.053 1.384 -4.486) 5.600 29.267 ( -3.923 1.437 6.223) 7.496 29.377 ( 0.076 -1.965 1.700) 2.600 29.660 ( 1.356 2.961 0.883) 3.375 30.042 ( -11.277 -2.630 -0.484) 11.589 30.391 ( -3.873 -13.656 1.784) 14.306 30.785 ( 7.427 1.041 3.400) 8.235 31.073 ( 2.910 -2.912 -5.388) 6.781 31.680 ( -2.706 6.054 2.347) 7.034 31.743 ( 12.990 5.936 -9.002) 16.882 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 11.206 -12.337 2.994) 16.933 1.413 ( 9.813 -16.320 4.474) 19.561 1.852 ( 0.597 -2.145 1.983) 2.981 1.937 ( 0.350 -2.983 -0.859) 3.124 2.016 ( -0.229 2.762 -0.105) 2.773 2.143 ( -0.821 -1.068 1.519) 2.031 2.254 ( -2.106 -2.213 -0.261) 3.067 2.319 ( -1.067 0.763 -8.173) 8.277 2.356 ( 0.640 -3.269 -2.311) 4.054 2.467 ( -2.213 -5.932 0.940) 6.401 2.632 ( 1.701 -1.900 2.176) 3.353 2.758 ( -4.590 -0.831 1.859) 5.022 2.935 ( -3.274 2.240 1.197) 4.144 3.013 ( -0.012 -7.111 3.502) 7.927 3.181 ( -1.878 -7.824 -0.005) 8.046 3.246 ( 5.010 -4.507 -1.168) 6.840 3.326 ( 4.966 -4.816 1.820) 7.153 3.427 ( -3.053 -4.493 1.832) 5.732 3.458 ( -1.468 -6.365 2.682) 7.061 3.678 ( -1.965 -8.435 1.074) 8.727 3.889 ( -8.590 -6.863 1.306) 11.072 3.962 ( -1.752 2.142 5.746) 6.378 4.126 ( -2.467 -4.683 -0.045) 5.293 4.142 ( 0.629 -8.667 1.461) 8.812 4.247 ( 3.724 -7.861 -0.409) 8.708 4.383 ( 4.066 -3.225 -0.351) 5.201 4.439 ( -2.121 4.122 -3.995) 6.120 4.532 ( 4.916 -3.952 -7.779) 10.015 4.768 ( -2.101 -1.871 2.649) 3.864 4.821 ( 1.558 -2.192 -3.934) 4.765 4.962 ( 2.775 -2.163 5.075) 6.175 5.115 ( -1.909 -1.136 3.464) 4.115 5.147 ( 0.012 -1.468 -2.921) 3.269 5.239 ( -3.377 -0.531 -2.878) 4.469 5.386 ( 0.157 -0.383 -0.602) 0.731 5.525 ( -2.550 2.425 -2.868) 4.540 5.596 ( -1.168 5.109 -2.370) 5.752 5.694 ( -0.470 4.736 2.955) 5.602 6.252 ( 1.121 -4.278 -2.745) 5.205 6.310 ( 6.980 -2.570 -1.550) 7.598 6.368 ( 3.548 2.773 0.426) 4.523 6.589 ( -1.875 4.192 4.394) 6.355 6.713 ( 3.131 3.015 -4.239) 6.071 6.775 ( -1.383 -0.265 1.626) 2.151 7.034 ( 2.405 7.366 -3.090) 8.342 7.128 ( -0.676 9.784 -1.801) 9.972 7.227 ( 3.198 8.720 5.675) 10.884 7.579 ( -15.762 3.886 4.362) 16.810 8.036 ( 8.346 2.088 1.157) 8.681 8.722 ( -1.481 12.352 -6.018) 13.820 8.756 ( 3.849 2.106 2.933) 5.277 8.945 ( -7.800 -0.456 -6.916) 10.434 9.123 ( -9.029 2.506 1.320) 9.463 9.225 ( 0.705 13.576 3.754) 14.103 9.554 ( 1.767 7.192 -1.610) 7.579 9.645 ( 3.281 6.199 0.513) 7.032 10.179 ( 2.070 -0.935 -1.606) 2.782 10.241 ( -0.154 1.150 2.179) 2.469 10.726 ( 3.049 -0.490 0.430) 3.118 10.863 ( -1.192 -0.705 -0.577) 1.500 11.588 ( 0.920 0.209 -1.652) 1.902 11.779 ( 1.539 0.272 3.184) 3.547 11.900 ( 1.237 -0.879 -2.792) 3.177 12.052 ( 1.349 -0.895 2.230) 2.755 13.416 ( -1.080 -7.899 0.026) 7.973 13.558 ( 0.346 -0.504 1.666) 1.775 13.815 ( 0.237 -2.984 -1.299) 3.263 14.126 ( 0.636 6.576 0.282) 6.613 15.909 ( 0.678 1.285 0.018) 1.453 15.989 ( -0.817 1.316 -0.115) 1.553 16.155 ( 1.918 -0.521 -0.648) 2.090 16.301 ( 0.573 0.304 0.388) 0.756 16.606 ( -1.428 0.273 1.370) 1.998 16.672 ( -0.938 0.302 -0.203) 1.006 16.871 ( -0.677 -4.521 1.642) 4.857 16.932 ( -0.161 -1.348 -1.670) 2.152 17.100 ( 3.062 -1.046 -0.478) 3.271 17.304 ( -1.385 0.784 -0.163) 1.600 17.628 ( -0.641 -1.058 -0.835) 1.492 17.649 ( -0.765 -1.611 -1.919) 2.620 27.618 ( 1.052 -2.956 1.462) 3.462 27.696 ( -0.473 -0.780 0.608) 1.096 27.809 ( -0.468 0.692 -2.272) 2.421 27.900 ( -0.937 0.350 -0.870) 1.326 28.812 ( 3.617 3.863 3.977) 6.620 28.996 ( 0.027 1.724 1.282) 2.148 29.096 ( -4.630 1.737 -3.493) 6.054 29.279 ( -0.531 0.020 7.910) 7.928 29.390 ( -0.584 -0.070 -1.472) 1.585 29.677 ( 2.499 -1.403 2.972) 4.129 29.978 ( -4.691 1.558 -2.227) 5.422 30.567 ( -5.516 -10.973 0.912) 12.315 30.810 ( 8.045 5.199 2.164) 9.820 31.124 ( 1.790 -3.795 -4.972) 6.506 31.593 ( -0.977 4.015 4.414) 6.046 31.701 ( 4.001 2.202 -8.034) 9.241 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 5.291 -5.779 1.963) 8.077 1.682 ( 2.387 -6.255 -0.765) 6.739 1.897 ( 4.107 -2.960 3.356) 6.074 1.975 ( 0.602 1.296 0.501) 1.514 2.031 ( 0.265 -3.672 1.684) 4.049 2.120 ( -4.253 1.167 -0.641) 4.457 2.186 ( -2.629 3.669 -4.003) 6.033 2.275 ( 1.492 -1.147 -3.801) 4.242 2.386 ( -0.596 0.780 0.156) 0.993 2.422 ( -2.696 4.379 0.550) 5.172 2.678 ( 0.824 -1.289 0.765) 1.711 2.795 ( -3.161 -6.165 0.715) 6.965 2.889 ( 0.894 3.712 -1.036) 3.956 3.128 ( 0.320 -3.220 2.867) 4.323 3.235 ( -1.006 -1.292 -0.085) 1.640 3.284 ( 2.259 0.134 -0.853) 2.419 3.463 ( -1.877 -2.942 6.706) 7.559 3.493 ( 3.912 -3.211 -2.445) 5.621 3.590 ( 2.630 -5.146 3.325) 6.668 3.774 ( -0.805 -4.673 -0.821) 4.813 3.850 ( -6.783 1.358 -3.814) 7.900 3.895 ( -3.775 4.221 2.990) 6.404 4.149 ( 0.627 -4.095 1.142) 4.297 4.266 ( -0.905 6.437 -2.419) 6.936 4.387 ( 2.046 -4.708 1.367) 5.312 4.433 ( 2.345 -8.695 2.103) 9.248 4.481 ( -2.391 -6.007 0.772) 6.511 4.559 ( 5.029 0.687 -7.593) 9.133 4.800 ( -0.333 -0.840 1.080) 1.408 4.844 ( -4.724 -2.853 0.537) 5.545 4.954 ( 3.080 4.332 -2.541) 5.891 5.169 ( 1.171 -2.121 -1.848) 3.048 5.211 ( -0.892 -4.446 1.229) 4.699 5.257 ( -1.171 -4.439 4.952) 6.753 5.391 ( -1.351 -0.376 -0.274) 1.429 5.462 ( -0.177 4.400 -4.736) 6.467 5.520 ( 3.236 0.811 -0.562) 3.383 5.638 ( -2.760 2.185 1.863) 3.983 6.290 ( 0.437 -1.447 -1.564) 2.175 6.299 ( 1.837 4.365 -0.449) 4.757 6.449 ( 2.771 -4.282 1.633) 5.356 6.548 ( -0.324 1.100 1.877) 2.200 6.676 ( 2.085 0.928 -4.704) 5.228 6.733 ( -1.614 2.329 1.049) 3.021 6.888 ( -0.855 8.346 3.277) 9.007 7.023 ( -0.628 1.714 -2.278) 2.919 7.198 ( 5.935 1.861 0.917) 6.287 7.423 ( -9.200 3.286 1.574) 9.895 8.149 ( 7.781 -6.191 3.302) 10.477 8.432 ( -5.912 13.012 -4.210) 14.899 8.781 ( 2.701 0.387 1.267) 3.009 8.894 ( -2.866 -1.139 -2.850) 4.199 9.038 ( -4.320 0.778 -1.416) 4.612 9.073 ( 0.917 6.402 2.354) 6.883 9.481 ( 0.535 2.180 -0.759) 2.370 9.601 ( 1.003 1.824 0.526) 2.147 10.201 ( 0.944 -0.962 -1.192) 1.799 10.230 ( -0.484 0.947 1.547) 1.877 10.754 ( 1.560 -0.147 0.495) 1.643 10.855 ( -0.725 0.051 -0.490) 0.877 11.585 ( 0.271 0.087 -0.625) 0.687 11.799 ( 0.706 0.036 1.601) 1.750 11.904 ( 0.288 -0.255 -1.456) 1.506 12.079 ( 0.566 -0.375 0.900) 1.127 13.509 ( -0.938 -3.850 -0.132) 3.965 13.567 ( 0.733 0.606 0.693) 1.177 13.878 ( -0.154 -4.515 -0.479) 4.543 14.021 ( 0.427 5.887 0.180) 5.905 15.903 ( 0.618 0.244 0.029) 0.665 15.961 ( -0.934 0.704 -0.264) 1.198 16.173 ( 0.880 -0.404 -0.312) 1.017 16.305 ( 0.290 0.012 0.241) 0.377 16.603 ( -0.516 -0.027 0.861) 1.004 16.659 ( -0.463 0.214 -0.388) 0.641 16.927 ( -0.336 -1.983 0.173) 2.018 16.940 ( -0.206 -0.170 0.081) 0.279 17.139 ( 2.081 -0.918 -0.370) 2.304 17.275 ( -1.192 0.903 -0.037) 1.496 17.632 ( -0.348 -0.385 -0.451) 0.688 17.658 ( -0.092 -0.515 -0.535) 0.748 27.674 ( 0.719 -1.779 0.984) 2.156 27.706 ( -0.152 -0.321 0.413) 0.545 27.779 ( -0.508 0.960 -1.493) 1.847 27.888 ( -0.386 0.057 -0.321) 0.505 28.805 ( 1.797 1.573 1.990) 3.109 28.986 ( 0.936 -0.056 -0.070) 0.940 29.026 ( -3.180 1.256 -1.266) 3.646 29.311 ( 0.188 -0.082 3.894) 3.900 29.375 ( -0.505 0.074 -1.377) 1.469 29.745 ( 1.942 -2.056 2.388) 3.701 29.905 ( -2.020 2.081 -1.971) 3.507 30.669 ( -4.819 -6.057 -0.728) 7.774 30.779 ( 5.393 4.950 1.044) 7.395 31.166 ( 0.564 -1.748 -1.719) 2.516 31.574 ( 0.678 1.298 3.848) 4.118 31.662 ( 0.198 0.404 -4.810) 4.831 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 18.863 -0.000 14.367) 23.711 0.484 ( 25.716 -0.000 7.680) 26.838 0.937 ( 38.528 -0.000 29.205) 48.346 1.774 ( -5.930 0.000 -0.591) 5.960 1.821 ( 2.835 -0.000 -0.097) 2.837 1.955 ( -1.825 0.000 -0.581) 1.915 2.010 ( 0.099 -0.000 -5.469) 5.470 2.194 ( 3.053 -0.000 5.415) 6.216 2.262 ( 1.872 -0.000 2.199) 2.888 2.338 ( -6.211 0.000 -5.531) 8.317 2.594 ( 0.974 -0.000 -2.609) 2.785 2.655 ( -2.294 0.000 4.112) 4.709 2.670 ( 0.333 -0.000 -4.759) 4.770 2.955 ( -2.532 0.000 -1.007) 2.725 2.980 ( -2.175 0.000 0.780) 2.310 3.078 ( -2.831 0.000 -1.928) 3.425 3.250 ( 0.178 -0.000 2.813) 2.818 3.290 ( -6.820 0.000 3.838) 7.826 3.295 ( -2.149 0.000 1.637) 2.702 3.589 ( 1.917 -0.000 10.519) 10.692 3.629 ( -11.422 0.000 -4.736) 12.365 3.771 ( 3.256 -0.000 -1.021) 3.412 3.940 ( -2.546 0.000 2.634) 3.663 4.028 ( 0.510 -0.000 3.647) 3.683 4.115 ( -1.246 0.000 0.526) 1.353 4.344 ( 12.261 -0.000 -1.721) 12.381 4.417 ( 2.967 -0.000 0.508) 3.011 4.509 ( -11.412 0.000 8.186) 14.045 4.595 ( 6.072 -0.000 6.962) 9.238 4.978 ( 1.319 -0.000 1.225) 1.800 4.991 ( -4.957 0.000 -4.770) 6.880 5.125 ( -0.700 0.000 -1.890) 2.016 5.244 ( -13.444 0.000 -6.143) 14.781 5.519 ( -1.069 0.000 1.266) 1.657 5.545 ( 3.671 -0.000 -8.634) 9.382 5.616 ( -13.994 0.000 17.865) 22.693 5.733 ( -5.170 0.000 -0.459) 5.191 5.943 ( -0.796 0.000 0.498) 0.939 6.147 ( 2.843 -0.000 2.122) 3.547 6.182 ( 2.536 -0.000 -3.093) 4.000 6.333 ( 1.562 -0.000 0.361) 1.603 6.445 ( 4.025 -0.000 -0.185) 4.029 6.719 ( 24.964 -0.000 -27.200) 36.920 6.806 ( 4.374 -0.000 -4.207) 6.069 7.415 ( -2.108 0.000 -3.466) 4.057 7.426 ( -16.719 0.000 22.151) 27.752 7.480 ( -0.796 0.000 2.431) 2.559 7.488 ( 0.087 -0.000 7.988) 7.988 8.320 ( 2.901 -0.000 5.866) 6.544 8.683 ( 5.793 -0.000 6.197) 8.483 9.010 ( -9.558 0.000 -5.647) 11.102 9.025 ( -15.353 0.000 8.999) 17.796 9.367 ( -0.943 0.000 0.455) 1.047 9.626 ( -3.971 0.000 7.250) 8.266 9.982 ( 0.259 -0.000 -4.099) 4.107 9.985 ( -0.561 0.000 -0.385) 0.680 10.310 ( -1.082 0.000 0.254) 1.111 10.339 ( 21.164 -0.000 -27.815) 34.951 10.489 ( 0.231 -0.000 0.581) 0.625 10.794 ( -0.740 0.000 -0.588) 0.945 11.566 ( -0.103 0.000 -2.523) 2.525 11.769 ( 1.020 -0.000 -2.302) 2.518 11.863 ( 3.598 -0.000 3.872) 5.286 12.078 ( 4.723 -0.000 -6.864) 8.332 13.125 ( -0.848 0.000 -0.016) 0.848 13.506 ( -0.975 0.000 3.035) 3.188 13.777 ( 1.337 -0.000 -2.522) 2.854 14.300 ( 0.750 -0.000 0.391) 0.845 15.977 ( 0.374 -0.000 -0.343) 0.507 16.150 ( 0.633 -0.000 -0.268) 0.687 16.275 ( 1.212 -0.000 -0.075) 1.214 16.430 ( -7.516 0.000 9.910) 12.438 16.649 ( -2.318 0.000 0.853) 2.470 16.669 ( 3.551 -0.000 -7.455) 8.257 16.691 ( -0.078 0.000 -2.475) 2.476 16.711 ( 6.459 -0.000 -6.974) 9.506 17.055 ( 1.413 -0.000 1.263) 1.895 17.308 ( -0.306 0.000 0.301) 0.430 17.435 ( -0.668 0.000 0.460) 0.811 17.588 ( 0.377 -0.000 -0.776) 0.863 27.506 ( 1.006 -0.000 1.435) 1.752 27.648 ( -0.534 0.000 1.474) 1.568 27.836 ( -0.228 0.000 -2.325) 2.336 27.927 ( -1.008 0.000 -1.049) 1.455 28.954 ( 2.241 -0.000 6.064) 6.464 29.192 ( -0.334 0.000 0.840) 0.904 29.225 ( -8.927 0.000 16.364) 18.641 29.301 ( -12.048 0.000 19.399) 22.836 29.368 ( 2.609 -0.000 1.639) 3.081 29.410 ( -3.693 0.000 7.917) 8.736 29.876 ( -1.149 0.000 0.610) 1.301 30.074 ( -0.458 0.000 -1.144) 1.233 30.640 ( 0.595 -0.000 -9.372) 9.391 31.051 ( 4.599 -0.000 -2.146) 5.075 31.799 ( -4.415 0.000 -1.641) 4.710 32.301 ( 19.195 -0.000 -28.618) 34.459 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 22.362 -10.447 5.300) 25.244 0.877 ( 16.967 -17.029 11.641) 26.710 1.559 ( 25.573 -22.353 18.509) 38.681 1.764 ( -2.874 -2.478 3.660) 5.272 1.912 ( 0.648 -7.072 -5.044) 8.710 1.954 ( -3.472 -5.585 0.725) 6.616 2.042 ( -1.080 -5.478 -3.248) 6.460 2.200 ( -3.122 2.723 -0.224) 4.149 2.273 ( 5.524 -1.706 2.177) 6.178 2.355 ( -2.972 -3.382 -1.098) 4.635 2.495 ( 2.127 2.094 0.885) 3.113 2.698 ( -3.828 -6.109 2.202) 7.538 2.805 ( -2.432 -6.951 -1.849) 7.593 2.864 ( -2.797 2.127 -0.484) 3.547 2.982 ( 4.020 -4.801 -8.519) 10.573 3.122 ( -7.470 -3.674 6.291) 10.434 3.226 ( -3.249 1.960 1.169) 3.970 3.290 ( -5.148 -1.916 1.849) 5.796 3.325 ( -1.556 -6.311 1.469) 6.664 3.554 ( -3.507 -1.790 -2.946) 4.918 3.603 ( -0.480 1.925 9.454) 9.660 3.849 ( 2.342 -4.722 0.068) 5.271 3.938 ( -3.313 -1.276 6.936) 7.791 4.034 ( 1.336 -0.270 0.454) 1.437 4.179 ( -1.175 -5.565 -0.135) 5.689 4.401 ( -1.110 3.109 1.350) 3.567 4.410 ( 4.406 1.496 -1.836) 5.002 4.480 ( 4.740 -1.243 -2.390) 5.452 4.715 ( 4.814 -3.532 9.093) 10.878 4.868 ( -10.017 2.771 -8.580) 13.477 4.972 ( 1.795 2.424 -1.071) 3.201 5.112 ( -0.647 -0.484 -3.690) 3.778 5.166 ( -5.879 -4.171 -4.599) 8.551 5.315 ( 3.184 16.883 8.785) 19.296 5.488 ( -0.503 4.516 -2.773) 5.323 5.569 ( -5.300 -1.301 0.134) 5.459 5.665 ( -7.104 2.318 -0.034) 7.473 5.927 ( 1.309 3.758 1.163) 4.146 6.128 ( 0.082 -0.106 -1.980) 1.985 6.264 ( 7.236 -1.617 -3.061) 8.022 6.391 ( 0.942 -2.364 1.849) 3.146 6.554 ( 4.998 -6.361 -0.072) 8.090 6.777 ( 11.212 1.943 -4.523) 12.245 6.810 ( 5.789 1.373 -7.282) 9.403 7.259 ( -4.261 6.673 1.341) 8.030 7.432 ( -1.240 4.209 2.253) 4.932 7.461 ( -1.379 2.892 5.692) 6.532 7.575 ( -12.598 -4.651 4.932) 14.306 8.279 ( 4.480 9.526 4.457) 11.432 8.759 ( 6.410 0.838 5.674) 8.602 8.892 ( -9.354 -0.853 -11.916) 15.173 8.986 ( -8.789 -2.709 3.828) 9.962 9.278 ( -4.489 8.047 0.218) 9.217 9.590 ( -3.316 4.993 3.471) 6.926 9.885 ( 0.347 8.968 -2.392) 9.288 9.930 ( -0.247 5.930 -1.334) 6.083 10.247 ( 9.520 5.812 -7.192) 13.272 10.299 ( 1.379 2.548 1.520) 3.272 10.625 ( 1.623 -7.931 -3.226) 8.715 10.796 ( -1.347 -1.701 -0.248) 2.184 11.572 ( 0.042 -1.545 -3.091) 3.456 11.769 ( 1.087 -0.549 -2.169) 2.488 11.911 ( 4.463 0.637 3.523) 5.722 12.055 ( 3.116 2.087 -0.306) 3.763 13.160 ( -1.194 -5.145 0.129) 5.283 13.524 ( -1.103 -0.960 3.918) 4.182 13.775 ( 1.648 -0.129 -3.244) 3.641 14.287 ( 0.935 2.697 0.442) 2.888 15.968 ( 0.068 1.062 -0.617) 1.230 16.126 ( 1.482 5.359 1.338) 5.719 16.196 ( 4.560 6.657 1.064) 8.139 16.333 ( 0.204 2.334 0.467) 2.389 16.624 ( -1.780 1.027 0.593) 2.139 16.671 ( -1.816 -0.971 0.812) 2.214 16.721 ( -0.554 -3.083 2.214) 3.836 16.817 ( 1.077 -6.366 -7.581) 9.958 17.078 ( 2.335 -0.309 1.040) 2.575 17.308 ( -0.446 -0.159 0.148) 0.496 17.505 ( -3.131 -6.422 -2.498) 7.569 17.595 ( 0.290 -1.107 -1.235) 1.684 27.536 ( 1.459 -1.437 2.011) 2.870 27.662 ( -0.919 -1.058 1.554) 2.093 27.820 ( -0.206 0.112 -2.926) 2.936 27.909 ( -1.332 0.194 -1.542) 2.047 28.970 ( 2.832 4.898 6.788) 8.837 29.088 ( -1.445 4.973 2.320) 5.675 29.191 ( -0.916 3.603 3.972) 5.441 29.294 ( -4.767 0.673 10.183) 11.264 29.374 ( 3.288 -1.644 3.225) 4.890 29.698 ( -3.854 -7.699 0.568) 8.629 29.829 ( -7.325 -5.019 5.219) 10.300 30.165 ( -2.132 -9.515 -0.949) 9.797 30.674 ( -1.209 -9.181 -10.418) 13.939 31.077 ( 6.439 0.514 -4.414) 7.824 31.724 ( -5.385 2.800 -1.063) 6.161 32.107 ( 17.344 19.857 -8.817) 27.801 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 19.214 -10.170 3.202) 21.974 1.309 ( 14.514 -13.011 10.427) 22.106 1.828 ( 0.321 -3.680 5.162) 6.348 1.870 ( -1.248 -2.581 -3.966) 4.894 2.030 ( -1.760 -2.558 -3.259) 4.501 2.077 ( -4.016 -4.652 4.741) 7.762 2.163 ( 6.119 -10.296 -0.501) 11.987 2.252 ( -0.958 -11.525 0.194) 11.567 2.289 ( 0.036 1.273 -1.252) 1.786 2.353 ( 1.770 -0.270 -5.677) 5.952 2.615 ( 1.760 -4.953 8.101) 9.657 2.747 ( -1.809 2.213 -1.575) 3.263 2.837 ( 1.176 -13.178 3.114) 13.592 2.986 ( 1.148 -7.695 2.445) 8.156 2.990 ( -10.290 1.791 1.347) 10.531 3.141 ( 4.383 -8.595 -6.947) 11.889 3.288 ( 0.466 -7.934 4.137) 8.960 3.313 ( -8.144 -5.068 7.193) 11.990 3.396 ( 1.578 -1.902 -2.314) 3.385 3.616 ( 1.869 -1.498 4.552) 5.144 3.662 ( -5.641 -10.877 2.373) 12.481 3.935 ( -3.099 -5.025 4.511) 7.430 4.023 ( 0.948 -5.322 4.040) 6.749 4.081 ( 2.761 -3.420 1.903) 4.790 4.223 ( 0.793 -1.038 -3.565) 3.797 4.325 ( -6.043 0.659 1.793) 6.337 4.450 ( 4.152 -2.434 -6.380) 7.992 4.494 ( 2.696 1.840 -5.543) 6.433 4.725 ( -5.677 -1.478 -5.325) 7.922 4.835 ( 2.783 0.090 4.121) 4.973 4.958 ( 2.773 -0.850 -3.227) 4.339 5.097 ( -1.290 -0.792 -2.900) 3.272 5.160 ( 0.121 6.856 6.979) 9.784 5.188 ( -2.419 -2.365 -1.204) 3.591 5.403 ( -0.450 3.404 -1.254) 3.655 5.537 ( -4.371 2.657 -0.483) 5.138 5.578 ( -4.770 -0.312 -1.148) 4.916 5.843 ( 2.769 8.175 0.371) 8.639 6.156 ( -1.217 -4.679 -2.650) 5.513 6.343 ( 9.985 -1.314 -1.743) 10.221 6.429 ( 2.709 0.671 2.636) 3.839 6.655 ( 3.487 -0.572 -0.697) 3.601 6.774 ( 5.344 3.705 -7.614) 10.012 6.806 ( 3.274 2.074 5.670) 6.868 7.117 ( -1.750 6.088 -4.847) 7.976 7.311 ( -1.053 10.468 2.360) 10.782 7.412 ( -0.135 5.596 6.967) 8.937 7.509 ( -13.277 1.718 3.445) 13.824 8.187 ( 6.687 7.550 2.208) 10.324 8.775 ( -5.411 0.219 -4.569) 7.085 8.802 ( -1.776 -0.891 -8.317) 8.551 8.961 ( 3.210 7.978 3.530) 9.296 9.085 ( -11.045 4.661 2.047) 12.161 9.436 ( -3.197 11.055 1.333) 11.585 9.710 ( 0.711 10.630 -2.058) 10.850 9.799 ( 0.374 8.222 0.396) 8.240 10.219 ( 5.655 2.470 -3.083) 6.898 10.285 ( 2.094 2.005 2.486) 3.819 10.715 ( 1.074 -3.207 -1.083) 3.552 10.820 ( -1.765 -2.414 -0.475) 3.028 11.577 ( 0.043 -0.768 -2.644) 2.754 11.781 ( 0.578 -1.079 -2.216) 2.532 11.937 ( 3.941 2.103 2.899) 5.325 12.066 ( 1.856 -0.154 1.643) 2.484 13.268 ( -1.267 -8.384 0.184) 8.481 13.554 ( -0.601 -1.181 3.548) 3.787 13.779 ( 1.273 -0.956 -2.961) 3.362 14.231 ( 0.794 5.147 0.345) 5.219 15.939 ( -0.122 1.731 -0.717) 1.878 16.045 ( 1.598 5.343 1.275) 5.721 16.177 ( 3.332 1.249 -0.503) 3.593 16.317 ( 0.626 0.713 0.295) 0.994 16.603 ( -1.694 0.287 1.194) 2.092 16.664 ( -1.596 -0.013 -0.062) 1.597 16.797 ( -0.893 -4.762 2.397) 5.405 16.876 ( 0.354 -3.831 -3.753) 5.375 17.111 ( 3.126 -0.602 0.363) 3.204 17.301 ( -1.155 0.418 -0.221) 1.248 17.559 ( -2.193 -4.320 -2.335) 5.378 17.615 ( 0.182 -1.731 -1.329) 2.189 27.593 ( 1.630 -2.407 2.335) 3.728 27.681 ( -0.795 -1.024 1.603) 2.062 27.802 ( -0.113 0.206 -2.726) 2.736 27.886 ( -1.451 0.083 -1.854) 2.355 28.906 ( -0.568 4.985 -0.102) 5.019 29.048 ( 1.285 2.722 4.493) 5.409 29.133 ( -0.388 4.759 4.333) 6.448 29.305 ( -2.386 0.144 7.549) 7.919 29.426 ( 3.643 1.305 3.581) 5.273 29.697 ( 2.195 0.608 0.396) 2.312 29.912 ( -6.399 -4.844 0.745) 8.060 30.306 ( -6.416 -11.391 -1.375) 13.146 30.796 ( -2.954 -12.148 -7.323) 14.489 31.083 ( 7.017 2.080 -6.934) 10.082 31.639 ( -3.975 2.340 1.074) 4.736 31.907 ( 12.344 15.371 -2.222) 19.839 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 14.402 -5.430 2.144) 15.540 1.620 ( 8.266 -7.636 6.230) 12.863 1.862 ( -1.431 -2.328 -1.781) 3.262 1.946 ( 1.077 -6.506 1.389) 6.739 2.039 ( 4.021 0.325 3.114) 5.096 2.103 ( -4.443 0.558 2.072) 4.934 2.195 ( -2.654 2.260 -2.962) 4.574 2.257 ( -0.603 0.963 -5.181) 5.304 2.348 ( 1.344 -3.324 -2.615) 4.438 2.437 ( -1.382 -5.199 -1.011) 5.474 2.651 ( -3.889 0.548 4.092) 5.672 2.690 ( -3.823 -0.628 -2.811) 4.787 2.912 ( -0.644 -0.605 0.619) 1.079 3.070 ( -1.442 -6.305 2.959) 7.112 3.148 ( -0.023 -7.790 2.634) 8.223 3.281 ( 3.662 -4.831 -6.418) 8.828 3.403 ( -5.141 -5.563 8.628) 11.481 3.447 ( 5.401 -5.108 -0.811) 7.478 3.517 ( 4.551 -10.627 6.226) 13.130 3.680 ( 0.318 -4.463 3.358) 5.595 3.780 ( -3.068 -4.674 1.280) 5.735 3.956 ( -5.794 4.279 3.563) 8.036 4.100 ( -0.819 -4.910 1.301) 5.145 4.237 ( 4.950 -9.710 3.075) 11.324 4.289 ( -1.444 -5.216 -4.761) 7.208 4.315 ( -2.086 -6.462 3.486) 7.633 4.404 ( 0.138 1.664 -3.931) 4.271 4.542 ( 4.808 -5.040 -8.080) 10.668 4.736 ( -3.366 -3.030 0.309) 4.539 4.830 ( 1.467 2.757 2.152) 3.793 4.974 ( -0.130 -2.045 -7.761) 8.027 5.112 ( -1.655 -3.749 -1.015) 4.222 5.136 ( 0.758 -0.823 -1.108) 1.574 5.210 ( -0.249 -1.725 4.660) 4.975 5.376 ( -0.563 -0.347 1.422) 1.568 5.450 ( -3.360 1.769 -2.755) 4.692 5.557 ( -2.516 0.046 -0.077) 2.518 5.726 ( 2.517 7.890 -0.425) 8.293 6.213 ( -2.004 -4.778 -3.242) 6.112 6.410 ( 5.999 4.337 -1.253) 7.508 6.458 ( 5.246 -0.917 4.629) 7.056 6.635 ( 3.402 5.174 2.535) 6.691 6.707 ( 3.116 3.451 -7.589) 8.900 6.789 ( 0.118 3.901 1.904) 4.342 7.022 ( -1.001 1.767 -0.578) 2.111 7.102 ( -3.295 13.914 4.039) 14.858 7.330 ( -0.793 8.788 1.953) 9.037 7.394 ( -6.562 0.652 1.965) 6.881 8.185 ( 7.841 0.791 2.498) 8.267 8.605 ( -5.113 13.190 -8.212) 16.357 8.758 ( -4.654 -2.287 -3.562) 6.291 8.837 ( -4.222 2.957 -0.270) 5.162 9.027 ( -0.400 2.166 3.065) 3.774 9.244 ( -1.043 9.299 2.428) 9.667 9.547 ( 0.651 7.311 -3.203) 8.009 9.692 ( 0.439 5.935 2.415) 6.423 10.214 ( 3.081 1.213 -1.399) 3.595 10.284 ( 3.743 2.454 2.123) 4.954 10.745 ( -1.444 -1.044 -0.614) 1.885 10.834 ( -1.184 -1.310 -0.587) 1.861 11.577 ( -0.285 -0.494 -1.293) 1.413 11.785 ( -0.299 -0.799 -3.412) 3.517 11.942 ( 2.497 2.092 3.615) 4.866 12.088 ( 1.181 0.036 0.746) 1.397 13.399 ( -1.127 -7.854 0.132) 7.935 13.582 ( 0.289 -0.431 2.043) 2.108 13.806 ( 0.497 -3.073 -1.670) 3.533 14.136 ( 0.406 6.833 0.106) 6.846 15.911 ( -0.440 0.869 -0.743) 1.225 15.992 ( 1.293 2.964 0.813) 3.335 16.185 ( 2.324 0.541 -0.352) 2.412 16.315 ( 0.484 0.488 0.405) 0.798 16.598 ( -0.810 -0.217 0.490) 0.972 16.653 ( -1.115 -0.134 0.329) 1.171 16.874 ( -0.634 -3.990 1.141) 4.198 16.915 ( -0.360 -2.282 -0.958) 2.501 17.148 ( 3.036 -0.500 -0.190) 3.083 17.275 ( -1.670 0.832 -0.705) 1.994 17.595 ( -1.021 -2.745 -1.188) 3.160 17.639 ( 0.183 -1.589 -0.888) 1.829 27.657 ( 1.454 -2.226 2.161) 3.426 27.698 ( -0.417 -0.756 1.386) 1.632 27.783 ( -0.218 0.694 -1.794) 1.936 27.871 ( -0.998 -0.684 -1.754) 2.131 28.815 ( -3.746 2.477 -3.611) 5.762 29.053 ( 4.736 2.765 6.131) 8.226 29.072 ( -0.369 4.633 4.067) 6.176 29.310 ( -1.116 0.296 1.212) 1.674 29.437 ( 3.512 2.934 5.557) 7.199 29.736 ( 1.735 -1.871 1.498) 2.959 29.899 ( -2.982 0.413 -2.125) 3.685 30.404 ( -9.693 -9.957 -4.787) 14.697 30.935 ( -0.644 -7.917 -0.572) 7.963 31.061 ( 5.039 1.476 -7.376) 9.054 31.589 ( -2.247 1.863 -0.425) 2.950 31.780 ( 7.680 9.023 2.280) 12.066 ======================= Grid point 14 (10/140) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 4.429 5.393 -0.836) 7.029 1.768 ( 5.353 -0.641 6.748) 8.637 1.868 ( -2.902 0.593 -4.852) 5.684 1.979 ( -3.985 3.060 0.090) 5.025 2.084 ( 3.677 -3.491 0.314) 5.080 2.108 ( -1.870 3.083 1.022) 3.748 2.157 ( 2.503 -3.643 4.282) 6.153 2.252 ( 0.711 -4.073 -5.831) 7.148 2.378 ( -0.100 2.882 0.376) 2.909 2.404 ( 1.263 -2.033 -0.482) 2.441 2.653 ( -4.712 -0.839 0.408) 4.804 2.758 ( -2.365 -9.868 1.551) 10.265 2.900 ( 2.189 3.402 -1.615) 4.356 3.124 ( -3.085 -2.398 0.332) 3.922 3.225 ( 0.570 -0.653 1.268) 1.536 3.316 ( 2.897 0.552 -4.923) 5.738 3.446 ( -6.563 -0.802 0.465) 6.628 3.513 ( 1.858 0.208 4.415) 4.794 3.641 ( 0.652 2.076 -2.834) 3.573 3.838 ( 1.913 -3.156 0.043) 3.691 3.840 ( 3.188 -0.985 6.773) 7.550 3.872 ( 6.441 -4.950 2.632) 8.540 4.175 ( -1.789 -1.008 0.884) 2.236 4.254 ( 1.738 1.840 1.929) 3.183 4.352 ( -6.461 -4.678 -0.640) 8.003 4.449 ( -0.840 -2.585 1.933) 3.335 4.485 ( 1.335 -3.617 0.779) 3.933 4.597 ( 4.363 -0.958 -4.231) 6.152 4.769 ( -5.891 -6.329 2.747) 9.072 4.815 ( 0.577 -0.797 1.048) 1.437 4.959 ( 4.568 1.840 -8.399) 9.736 5.150 ( -1.370 -3.740 -3.646) 5.400 5.190 ( 1.338 -4.649 -1.675) 5.119 5.282 ( -2.165 -1.637 2.826) 3.918 5.373 ( -2.777 0.357 2.561) 3.795 5.414 ( -1.408 -1.439 0.518) 2.079 5.527 ( -1.358 1.935 -1.479) 2.789 5.656 ( 3.808 1.962 -0.382) 4.301 6.233 ( -4.447 -1.908 -1.528) 5.075 6.331 ( 2.506 4.667 -1.631) 5.543 6.514 ( 2.135 2.770 3.279) 4.794 6.598 ( 2.345 5.114 2.949) 6.352 6.662 ( 2.029 -0.893 -2.994) 3.725 6.747 ( 4.734 1.844 -3.440) 6.136 6.882 ( -4.169 8.886 2.935) 10.245 7.014 ( -1.274 -0.165 3.709) 3.926 7.168 ( -8.707 4.557 0.820) 9.862 7.419 ( 6.602 -3.188 -2.018) 7.604 8.235 ( -2.928 9.756 -2.448) 10.476 8.351 ( 3.441 -1.516 0.607) 3.809 8.734 ( -7.801 -0.413 2.337) 8.154 8.826 ( -1.395 -7.185 -7.275) 10.320 8.996 ( 2.414 2.564 0.062) 3.522 9.165 ( 2.127 3.937 5.972) 7.462 9.461 ( 0.112 1.822 -2.637) 3.208 9.628 ( 0.047 3.640 2.249) 4.280 10.210 ( 0.885 0.651 -0.617) 1.260 10.280 ( 5.138 3.380 1.128) 6.253 10.723 ( -4.429 -0.264 -1.306) 4.625 10.849 ( -0.038 -1.176 0.148) 1.186 11.577 ( -0.676 -0.440 0.012) 0.807 11.769 ( -1.082 -0.340 -4.358) 4.504 11.946 ( 1.452 1.710 4.535) 5.060 12.084 ( 0.076 0.990 -1.088) 1.473 13.495 ( -0.758 -4.384 0.000) 4.449 13.585 ( 0.673 1.462 0.579) 1.710 13.875 ( 0.280 -5.089 -0.333) 5.108 14.022 ( -0.286 6.445 -0.194) 6.454 15.895 ( -0.888 0.135 -0.459) 1.009 15.979 ( 2.060 0.924 0.860) 2.416 16.185 ( 0.590 0.949 0.148) 1.127 16.309 ( -0.027 0.616 0.074) 0.621 16.598 ( -0.005 -0.303 -1.030) 1.073 16.658 ( -0.103 -0.499 1.130) 1.239 16.923 ( 0.262 -1.940 -0.725) 2.087 16.938 ( -0.728 -0.886 1.046) 1.552 17.152 ( -0.305 1.709 -0.098) 1.738 17.263 ( 0.333 -1.042 -0.687) 1.292 17.622 ( -0.277 -1.476 -0.348) 1.541 17.660 ( 0.310 -0.920 0.039) 0.971 27.691 ( 0.220 0.317 0.715) 0.812 27.707 ( -0.114 0.206 0.144) 0.276 27.775 ( 0.522 -0.754 1.035) 1.383 27.876 ( -0.221 -1.225 -1.216) 1.740 28.741 ( -4.331 0.054 -4.366) 6.150 29.019 ( -0.465 3.252 3.115) 4.527 29.088 ( 5.454 1.524 5.195) 7.685 29.289 ( -0.376 0.824 -3.139) 3.267 29.445 ( 3.836 2.997 5.817) 7.585 29.748 ( -1.904 1.495 -2.262) 3.313 29.889 ( 1.321 -2.213 0.706) 2.672 30.447 ( -11.553 -9.265 -7.177) 16.457 30.997 ( 11.287 7.758 5.625) 14.806 31.076 ( -5.457 -7.195 -5.190) 10.416 31.523 ( -2.538 1.240 -5.242) 5.954 31.754 ( 4.576 3.593 6.557) 8.766 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -2.079 13.816 -1.912) 14.102 1.618 ( -5.010 15.497 -0.689) 16.301 1.884 ( 3.065 0.743 2.974) 4.335 1.968 ( -1.506 -2.456 0.312) 2.898 1.991 ( -0.420 5.291 -2.339) 5.800 2.124 ( -3.477 -0.028 -1.148) 3.662 2.257 ( 2.132 -5.169 2.134) 5.985 2.335 ( 2.414 -4.786 1.581) 5.589 2.406 ( 0.659 1.344 0.664) 1.638 2.473 ( 6.096 -4.404 -0.744) 7.557 2.625 ( -4.173 -0.206 0.446) 4.202 2.830 ( 1.183 4.111 -1.664) 4.590 2.897 ( 1.627 -4.705 1.393) 5.170 3.093 ( -1.184 3.346 -0.905) 3.663 3.227 ( -0.078 0.747 -0.304) 0.810 3.258 ( -2.744 3.304 -2.780) 5.116 3.367 ( -3.424 3.027 -2.728) 5.322 3.519 ( 0.919 3.842 5.245) 6.566 3.572 ( 3.310 4.671 -3.464) 6.691 3.806 ( 2.243 3.849 -0.667) 4.504 3.935 ( 4.241 0.117 -0.406) 4.262 4.032 ( 7.645 1.369 1.306) 7.875 4.148 ( 0.424 0.630 0.348) 0.836 4.246 ( -3.323 -2.096 1.826) 4.332 4.352 ( -1.351 8.937 -2.464) 9.368 4.392 ( -2.681 5.485 2.026) 6.433 4.461 ( -1.643 -1.906 2.584) 3.606 4.605 ( 0.740 3.183 3.189) 4.566 4.801 ( -0.227 1.528 -1.704) 2.300 4.875 ( -2.785 -0.575 3.497) 4.507 4.930 ( 3.590 -0.052 -4.885) 6.062 5.133 ( -2.002 3.942 -7.646) 8.832 5.186 ( 0.060 1.656 3.572) 3.938 5.274 ( 1.318 -1.692 0.666) 2.246 5.401 ( -3.316 2.770 -0.098) 4.322 5.465 ( -0.885 -8.584 3.320) 9.246 5.501 ( -0.169 -2.814 0.564) 2.875 5.686 ( 4.261 0.033 -1.252) 4.441 6.225 ( -5.241 -3.196 -0.168) 6.141 6.311 ( 0.760 0.141 -0.234) 0.807 6.406 ( -1.504 9.675 -0.022) 9.792 6.570 ( 1.624 0.634 1.937) 2.606 6.673 ( -0.797 -0.384 0.184) 0.904 6.785 ( 5.976 -1.466 -2.420) 6.612 6.865 ( -1.732 -8.398 0.501) 8.590 7.055 ( -1.127 -4.005 3.992) 5.765 7.076 ( -6.399 -0.802 -0.125) 6.450 7.572 ( 11.662 -7.664 -5.043) 14.838 7.992 ( -8.418 6.838 -1.825) 10.997 8.542 ( 3.865 -11.751 1.178) 12.426 8.717 ( -3.740 -1.669 4.838) 6.339 8.938 ( -3.167 -11.541 -7.328) 14.033 9.015 ( 6.123 -0.829 1.575) 6.377 9.177 ( 2.278 0.036 4.408) 4.962 9.458 ( -0.591 -2.873 -1.469) 3.280 9.591 ( -1.296 1.176 1.303) 2.182 10.200 ( -0.229 0.643 0.186) 0.707 10.261 ( 3.999 3.593 -0.409) 5.392 10.688 ( -4.501 -0.810 -1.075) 4.698 10.869 ( 0.202 -0.816 0.365) 0.917 11.579 ( -1.138 -0.366 0.623) 1.348 11.743 ( -1.177 -0.238 -3.872) 4.054 11.947 ( 0.560 2.102 4.764) 5.237 12.051 ( -0.744 1.339 -2.706) 3.110 13.525 ( 0.674 2.251 0.266) 2.365 13.551 ( -0.485 1.308 -0.590) 1.515 13.889 ( 0.526 5.025 0.457) 5.073 14.006 ( -0.888 -6.479 -0.448) 6.555 15.891 ( -0.453 -0.535 0.023) 0.702 15.992 ( 1.685 -0.007 0.550) 1.773 16.165 ( -0.650 1.459 0.508) 1.676 16.297 ( -0.342 0.434 -0.232) 0.600 16.601 ( 0.651 -0.547 -1.194) 1.466 16.672 ( 0.387 -0.453 0.570) 0.824 16.930 ( 0.846 2.142 -1.132) 2.566 16.944 ( -0.331 -0.511 1.055) 1.219 17.104 ( -2.272 1.999 0.298) 3.041 17.294 ( 1.157 -1.625 -0.155) 2.000 17.634 ( -0.141 -0.337 -0.157) 0.397 17.676 ( 0.711 -0.264 1.141) 1.370 27.656 ( -0.518 2.909 -0.520) 3.000 27.705 ( 0.107 0.185 -0.168) 0.272 27.811 ( 0.810 -1.046 2.262) 2.621 27.893 ( 0.304 -1.283 -0.539) 1.425 28.707 ( -3.549 -2.342 -3.812) 5.710 28.990 ( -0.118 1.316 1.209) 1.791 29.135 ( 3.152 -0.416 3.348) 4.617 29.255 ( 0.842 0.895 -4.100) 4.280 29.453 ( 3.713 3.000 5.138) 7.014 29.671 ( -2.301 2.398 -4.505) 5.598 29.981 ( 4.837 -3.938 3.594) 7.199 30.455 ( -13.094 -8.249 -9.279) 18.045 30.941 ( 8.865 12.053 5.297) 15.872 31.108 ( -4.856 -2.919 -0.637) 5.702 31.498 ( -1.493 -4.057 -4.954) 6.575 31.765 ( 2.362 2.933 6.828) 7.798 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -4.338 18.407 -1.529) 18.974 1.266 ( -4.015 21.349 -1.565) 21.780 1.843 ( 0.306 4.052 -0.057) 4.064 1.939 ( -0.511 3.682 0.703) 3.783 2.013 ( -0.481 -2.544 1.630) 3.060 2.079 ( -2.737 0.065 -4.026) 4.869 2.305 ( 3.793 5.532 -0.617) 6.736 2.352 ( -1.860 3.534 0.863) 4.086 2.413 ( -0.186 1.263 5.870) 6.008 2.487 ( 2.624 7.538 -2.625) 8.402 2.605 ( -0.182 0.453 -0.120) 0.502 2.798 ( 1.876 -0.473 -0.776) 2.084 2.984 ( 3.686 -5.723 -1.107) 6.897 3.027 ( 1.748 5.755 1.263) 6.146 3.159 ( -4.889 3.603 -0.320) 6.082 3.166 ( -1.650 6.508 -1.206) 6.821 3.281 ( -0.287 4.649 -0.487) 4.684 3.462 ( -0.192 5.600 3.207) 6.456 3.479 ( 3.265 6.742 -3.021) 8.077 3.724 ( 3.629 9.280 0.555) 9.980 3.895 ( 0.042 3.107 -4.185) 5.213 3.959 ( -0.246 6.554 -1.894) 6.827 4.160 ( -0.862 9.356 -1.315) 9.487 4.182 ( 1.946 -0.395 1.932) 2.770 4.236 ( -0.124 6.046 1.160) 6.157 4.301 ( 2.202 3.369 0.983) 4.143 4.466 ( -4.109 4.432 1.982) 6.361 4.548 ( 1.244 3.829 2.014) 4.502 4.702 ( -6.937 3.469 -5.013) 9.235 4.796 ( 1.255 5.114 0.306) 5.275 4.966 ( 3.062 -1.559 1.275) 3.665 5.084 ( -1.525 -1.451 -2.842) 3.536 5.185 ( 1.038 1.715 2.197) 2.974 5.320 ( 1.874 -1.362 2.676) 3.539 5.355 ( -2.063 -2.256 -1.668) 3.482 5.569 ( -0.192 -4.747 1.969) 5.142 5.647 ( 1.619 -9.504 2.155) 9.879 5.692 ( 1.856 0.464 -2.098) 2.839 6.236 ( -2.445 1.875 1.124) 3.280 6.246 ( -2.540 3.677 0.970) 4.573 6.321 ( -1.239 -1.470 -0.525) 1.993 6.598 ( 1.839 -2.502 -1.195) 3.327 6.708 ( -0.679 -3.176 0.910) 3.373 6.798 ( 1.697 5.829 0.062) 6.071 6.991 ( -3.649 -8.827 0.358) 9.558 7.133 ( -0.719 -10.596 0.526) 10.633 7.185 ( 0.514 -8.995 -0.550) 9.026 7.772 ( 14.137 -6.745 -6.524) 16.968 7.903 ( -9.346 -4.622 2.895) 10.821 8.728 ( 0.809 -5.781 0.905) 5.907 8.798 ( 0.589 -5.011 7.311) 8.883 9.037 ( -2.147 -8.046 -7.182) 10.997 9.162 ( 4.319 -10.478 1.090) 11.386 9.240 ( 1.507 -4.180 0.324) 4.456 9.535 ( -0.437 -7.622 -0.242) 7.638 9.594 ( -3.085 -3.587 0.879) 4.812 10.179 ( -0.006 2.703 0.731) 2.800 10.233 ( 0.587 0.697 -1.075) 1.409 10.671 ( -2.347 -0.651 -0.303) 2.455 10.878 ( 0.306 0.223 0.160) 0.411 11.576 ( -1.291 -0.253 0.333) 1.357 11.727 ( -0.640 -0.559 -1.989) 2.163 11.927 ( -0.110 2.895 3.102) 4.244 12.010 ( -0.753 1.288 -2.310) 2.750 13.429 ( 0.455 8.028 0.020) 8.041 13.542 ( -0.184 0.456 -0.660) 0.823 13.822 ( -0.017 3.019 0.491) 3.058 14.114 ( -0.369 -6.604 -0.189) 6.617 15.904 ( -0.046 -1.062 0.054) 1.064 16.001 ( 0.393 0.255 0.055) 0.471 16.139 ( -0.682 1.035 0.358) 1.290 16.292 ( -0.210 -0.360 -0.131) 0.437 16.614 ( 0.716 -0.852 -0.606) 1.267 16.682 ( 0.324 -0.271 -0.080) 0.430 16.866 ( 0.263 5.122 -0.848) 5.198 16.949 ( 0.121 0.469 0.956) 1.072 17.067 ( -1.327 0.957 0.219) 1.650 17.321 ( 0.588 -0.662 0.112) 0.893 17.630 ( -0.166 0.616 -0.042) 0.639 17.690 ( 1.004 0.197 1.451) 1.776 27.597 ( -0.371 3.318 -0.463) 3.371 27.699 ( 0.209 0.601 -0.120) 0.648 27.835 ( 0.313 -0.348 1.231) 1.317 27.916 ( 0.398 -1.091 0.162) 1.173 28.728 ( -1.868 -4.521 -2.123) 5.333 28.977 ( -0.331 0.324 -0.959) 1.065 29.175 ( -0.104 -1.702 0.195) 1.716 29.258 ( 2.981 -1.299 -0.386) 3.274 29.437 ( 1.583 4.234 2.287) 5.066 29.619 ( -0.647 -0.183 -2.680) 2.763 30.121 ( 9.763 -3.235 4.855) 11.373 30.419 ( -12.535 -5.433 -9.449) 16.611 30.791 ( 1.462 12.553 2.216) 12.831 31.098 ( -2.533 0.302 0.710) 2.648 31.580 ( 1.034 -7.272 -1.819) 7.567 31.746 ( -0.554 4.062 5.094) 6.539 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 20.867 -0.000) 20.867 0.857 ( 0.000 24.784 -0.000) 24.784 1.684 ( 0.000 32.081 -0.000) 32.081 1.795 ( 0.000 2.008 -0.000) 2.008 2.033 ( 0.000 0.781 -0.000) 0.781 2.054 ( 0.000 2.594 -0.000) 2.594 2.125 ( 0.000 8.131 -0.000) 8.131 2.295 ( 0.000 5.360 -0.000) 5.360 2.338 ( 0.000 9.714 -0.000) 9.714 2.377 ( 0.000 0.591 -0.000) 0.591 2.577 ( 0.000 3.614 -0.000) 3.614 2.830 ( -0.000 -0.002 0.000) 0.002 2.939 ( 0.000 3.442 -0.000) 3.442 2.972 ( 0.000 12.351 -0.000) 12.351 3.066 ( 0.000 5.350 -0.000) 5.350 3.165 ( -0.000 -10.925 0.000) 10.925 3.211 ( 0.000 3.040 -0.000) 3.040 3.376 ( 0.000 3.933 -0.000) 3.933 3.422 ( 0.000 2.364 -0.000) 2.364 3.544 ( 0.000 14.120 -0.000) 14.120 3.847 ( 0.000 1.443 -0.000) 1.443 3.859 ( 0.000 4.667 -0.000) 4.667 4.039 ( 0.000 4.830 -0.000) 4.830 4.077 ( 0.000 6.798 -0.000) 6.798 4.229 ( 0.000 12.194 -0.000) 12.194 4.240 ( -0.000 -0.391 0.000) 0.391 4.328 ( -0.000 -1.488 0.000) 1.488 4.524 ( 0.000 2.237 -0.000) 2.237 4.618 ( 0.000 4.046 -0.000) 4.046 4.780 ( -0.000 -3.604 0.000) 3.604 4.993 ( 0.000 1.015 -0.000) 1.015 5.090 ( -0.000 -0.705 0.000) 0.705 5.166 ( 0.000 1.473 -0.000) 1.473 5.381 ( -0.000 -4.554 0.000) 4.554 5.397 ( -0.000 -2.666 0.000) 2.666 5.671 ( 0.000 0.921 -0.000) 0.921 5.685 ( -0.000 -7.601 0.000) 7.601 5.808 ( -0.000 -7.257 0.000) 7.257 6.134 ( 0.000 4.361 -0.000) 4.361 6.250 ( 0.000 0.319 -0.000) 0.319 6.345 ( -0.000 -2.172 0.000) 2.172 6.646 ( 0.000 7.558 -0.000) 7.558 6.675 ( -0.000 -2.097 0.000) 2.097 6.753 ( -0.000 -2.089 0.000) 2.089 7.123 ( -0.000 -8.195 0.000) 8.195 7.311 ( -0.000 -9.483 0.000) 9.483 7.320 ( -0.000 -6.609 0.000) 6.609 7.967 ( -0.000 -11.170 0.000) 11.170 7.978 ( -0.000 -6.615 0.000) 6.615 8.805 ( 0.000 3.306 -0.000) 3.306 8.830 ( -0.000 -3.728 0.000) 3.728 9.113 ( -0.000 -2.730 0.000) 2.730 9.327 ( -0.000 -4.940 0.000) 4.940 9.425 ( -0.000 -17.763 0.000) 17.763 9.673 ( -0.000 -7.582 0.000) 7.582 9.705 ( -0.000 -12.252 0.000) 12.252 10.118 ( 0.000 4.231 -0.000) 4.231 10.248 ( -0.000 -2.180 0.000) 2.180 10.663 ( 0.000 0.505 -0.000) 0.505 10.864 ( 0.000 1.812 -0.000) 1.812 11.575 ( -0.000 -0.287 0.000) 0.287 11.733 ( -0.000 -1.075 0.000) 1.075 11.886 ( 0.000 2.704 -0.000) 2.704 11.973 ( 0.000 2.001 -0.000) 2.001 13.292 ( 0.000 8.190 -0.000) 8.190 13.525 ( 0.000 1.151 -0.000) 1.151 13.791 ( 0.000 1.104 -0.000) 1.104 14.208 ( -0.000 -4.881 0.000) 4.881 15.922 ( -0.000 -1.079 0.000) 1.079 15.993 ( 0.000 0.658 -0.000) 0.658 16.129 ( -0.000 -0.165 0.000) 0.165 16.303 ( -0.000 -0.991 0.000) 0.991 16.631 ( -0.000 -0.922 0.000) 0.922 16.687 ( -0.000 -0.151 0.000) 0.151 16.773 ( 0.000 5.447 -0.000) 5.447 16.937 ( 0.000 1.319 -0.000) 1.319 17.050 ( 0.000 0.662 -0.000) 0.662 17.325 ( 0.000 0.403 -0.000) 0.403 17.613 ( 0.000 1.136 -0.000) 1.136 17.696 ( 0.000 0.311 -0.000) 0.311 27.541 ( 0.000 2.924 -0.000) 2.924 27.689 ( 0.000 0.696 -0.000) 0.696 27.843 ( -0.000 -0.272 0.000) 0.272 27.932 ( -0.000 -0.573 0.000) 0.573 28.805 ( -0.000 -6.090 0.000) 6.090 28.965 ( 0.000 0.383 -0.000) 0.383 29.201 ( -0.000 -1.452 0.000) 1.452 29.322 ( -0.000 -3.822 0.000) 3.822 29.364 ( 0.000 5.221 -0.000) 5.221 29.644 ( -0.000 -3.908 0.000) 3.908 30.249 ( -0.000 -1.937 0.000) 1.937 30.359 ( 0.000 3.883 -0.000) 3.883 30.626 ( 0.000 4.183 -0.000) 4.183 31.070 ( 0.000 1.917 -0.000) 1.917 31.669 ( 0.000 5.664 -0.000) 5.664 31.708 ( -0.000 -7.181 0.000) 7.181 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 17.020 -0.000 14.528) 22.377 0.963 ( 25.155 -0.000 6.872) 26.077 1.688 ( -1.066 0.000 3.472) 3.632 1.735 ( 24.966 -0.000 16.820) 30.103 1.840 ( 0.338 -0.000 -4.513) 4.526 1.917 ( -2.733 0.000 2.630) 3.793 1.942 ( -0.461 0.000 -5.083) 5.104 2.204 ( -3.279 0.000 -3.439) 4.752 2.278 ( -0.112 0.000 0.104) 0.152 2.353 ( 5.842 -0.000 10.469) 11.989 2.547 ( -1.286 0.000 -6.646) 6.769 2.649 ( 0.874 -0.000 0.536) 1.026 2.653 ( -4.878 0.000 6.550) 8.167 2.882 ( -3.757 0.000 -3.214) 4.944 2.947 ( -1.723 0.000 -0.907) 1.947 3.030 ( 1.037 -0.000 -3.023) 3.196 3.149 ( -14.232 0.000 3.083) 14.562 3.244 ( -3.969 0.000 -1.889) 4.396 3.312 ( 3.254 -0.000 3.043) 4.455 3.502 ( -1.687 0.000 0.899) 1.911 3.720 ( -0.227 0.000 11.510) 11.512 3.811 ( 3.487 -0.000 -2.691) 4.405 3.918 ( -4.597 0.000 4.182) 6.215 4.074 ( 0.825 -0.000 2.954) 3.067 4.087 ( -2.396 0.000 0.587) 2.467 4.381 ( -7.956 0.000 1.932) 8.187 4.488 ( 4.220 -0.000 -0.658) 4.271 4.515 ( 12.225 -0.000 -4.618) 13.068 4.688 ( -15.636 0.000 -8.535) 17.814 4.800 ( 3.484 -0.000 5.215) 6.272 5.029 ( 4.320 -0.000 -1.294) 4.510 5.040 ( -3.252 0.000 -6.890) 7.619 5.089 ( -0.016 0.000 -3.938) 3.938 5.439 ( -4.186 0.000 -5.564) 6.963 5.493 ( 0.851 -0.000 -7.029) 7.080 5.620 ( -9.774 0.000 18.486) 20.911 5.632 ( -4.567 0.000 -1.905) 4.948 5.950 ( 1.468 -0.000 0.236) 1.487 6.178 ( -5.195 0.000 7.118) 8.812 6.200 ( 4.304 -0.000 -4.518) 6.240 6.446 ( 11.496 -0.000 0.354) 11.501 6.545 ( 8.625 -0.000 -0.204) 8.628 6.829 ( 4.324 -0.000 -6.045) 7.432 6.872 ( 14.670 -0.000 -7.579) 16.512 7.300 ( -6.683 0.000 -2.725) 7.217 7.360 ( -12.787 0.000 12.408) 17.818 7.491 ( 0.338 -0.000 0.793) 0.862 7.589 ( 0.317 -0.000 8.129) 8.135 8.433 ( 4.351 -0.000 4.849) 6.515 8.734 ( -10.573 0.000 -14.065) 17.596 8.823 ( -15.904 0.000 -0.467) 15.911 8.893 ( 9.865 -0.000 9.274) 13.540 9.360 ( -0.479 0.000 1.299) 1.384 9.616 ( -1.902 0.000 0.193) 1.912 9.951 ( 0.603 -0.000 -3.222) 3.278 9.960 ( -1.871 0.000 -1.028) 2.135 10.290 ( -2.048 0.000 0.720) 2.171 10.410 ( 9.564 -0.000 -8.586) 12.852 10.497 ( -0.193 0.000 0.517) 0.552 10.771 ( -1.113 0.000 -0.868) 1.411 11.545 ( 0.452 -0.000 -2.257) 2.302 11.758 ( 1.099 -0.000 -3.460) 3.631 11.971 ( 4.304 -0.000 4.504) 6.229 12.089 ( 1.619 -0.000 -1.309) 2.082 13.108 ( -1.252 0.000 0.010) 1.252 13.528 ( -1.449 0.000 5.373) 5.565 13.773 ( 2.285 -0.000 -4.244) 4.820 14.321 ( 1.170 -0.000 0.491) 1.269 15.973 ( -0.195 0.000 -1.083) 1.100 16.166 ( 1.714 -0.000 -0.204) 1.726 16.299 ( 1.920 -0.000 -0.138) 1.925 16.399 ( -3.061 0.000 1.249) 3.306 16.620 ( -1.890 0.000 0.699) 2.015 16.647 ( -0.428 0.000 -2.277) 2.317 16.665 ( -0.100 0.000 -2.138) 2.140 16.750 ( 3.653 -0.000 -2.043) 4.186 17.102 ( 2.539 -0.000 1.661) 3.034 17.306 ( -0.399 0.000 0.518) 0.654 17.425 ( -1.234 0.000 0.508) 1.334 17.578 ( -0.097 0.000 -1.946) 1.948 27.549 ( 1.914 -0.000 2.352) 3.032 27.657 ( -0.873 0.000 2.724) 2.860 27.803 ( -0.104 0.000 -3.629) 3.631 27.890 ( -1.650 0.000 -1.845) 2.475 29.085 ( 3.955 -0.000 10.034) 10.786 29.189 ( -0.828 0.000 0.761) 1.125 29.242 ( -1.255 0.000 3.320) 3.549 29.300 ( -3.989 0.000 6.822) 7.902 29.438 ( -5.687 0.000 13.167) 14.343 29.451 ( 4.092 -0.000 3.840) 5.612 29.860 ( -1.918 0.000 1.237) 2.282 30.043 ( -1.234 0.000 -2.605) 2.883 30.531 ( 1.226 -0.000 -15.303) 15.352 31.113 ( 7.319 -0.000 -5.713) 9.285 31.688 ( -7.064 0.000 -1.061) 7.143 32.335 ( 7.888 -0.000 -8.968) 11.944 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 18.617 -9.839 8.808) 22.825 1.259 ( 18.435 -11.122 8.775) 23.249 1.755 ( -4.302 -6.998 5.159) 9.700 1.823 ( -1.418 -1.550 -1.376) 2.511 1.901 ( -0.670 -3.654 -4.391) 5.752 1.969 ( 1.208 -5.694 2.058) 6.174 2.080 ( 10.953 -7.290 2.566) 13.405 2.172 ( 0.841 -0.425 -0.170) 0.957 2.302 ( -2.381 -2.685 -0.714) 3.660 2.357 ( 2.635 5.707 -1.968) 6.587 2.580 ( -1.019 -4.436 0.481) 4.577 2.713 ( 4.573 -5.084 9.244) 11.498 2.732 ( -5.838 -4.972 3.769) 8.544 2.834 ( 0.547 -4.438 -1.404) 4.687 2.968 ( 1.624 -4.181 -2.094) 4.950 3.035 ( -5.801 -1.651 -0.885) 6.095 3.173 ( -1.332 -8.475 -1.580) 8.724 3.181 ( -8.684 -1.210 0.116) 8.769 3.361 ( 2.300 -1.695 3.364) 4.414 3.527 ( 0.237 -2.604 4.122) 4.882 3.708 ( 0.123 3.608 7.253) 8.102 3.879 ( 0.796 -3.133 0.530) 3.276 3.932 ( -3.361 -4.765 2.382) 6.299 4.077 ( 0.774 -1.977 3.426) 4.030 4.135 ( -3.391 -3.770 -2.002) 5.451 4.307 ( -5.551 2.462 2.105) 6.427 4.475 ( -8.396 1.570 -10.231) 13.328 4.506 ( 3.624 1.121 -2.764) 4.694 4.611 ( 4.102 -2.084 -4.277) 6.282 4.879 ( 3.303 -0.508 6.998) 7.755 4.961 ( 1.234 2.037 -7.017) 7.410 5.063 ( -1.496 0.006 -2.713) 3.098 5.105 ( 1.050 -4.300 -2.087) 4.894 5.341 ( -1.469 6.191 -2.963) 7.019 5.474 ( 0.145 1.130 -2.429) 2.682 5.531 ( -3.577 6.746 9.038) 11.832 5.567 ( -5.565 2.458 1.957) 6.390 5.964 ( 2.648 2.706 -0.724) 3.854 6.093 ( -2.368 1.407 0.041) 2.755 6.334 ( 2.904 -7.172 1.306) 7.847 6.514 ( 10.726 2.512 2.318) 11.257 6.658 ( 8.350 -2.925 -1.167) 8.925 6.812 ( 2.822 1.897 -6.818) 7.619 6.927 ( 8.238 2.819 1.049) 8.770 7.169 ( -4.916 5.603 -2.834) 7.975 7.357 ( -11.992 -2.942 6.904) 14.147 7.453 ( -0.224 5.496 1.793) 5.785 7.581 ( -1.207 4.555 5.891) 7.544 8.387 ( 3.897 9.156 2.611) 10.287 8.607 ( -9.886 -2.624 -12.518) 16.165 8.734 ( -10.163 -3.283 -4.725) 11.678 9.028 ( 6.586 -1.278 7.328) 9.935 9.255 ( 0.815 12.410 2.740) 12.735 9.553 ( -2.616 5.729 -0.824) 6.352 9.866 ( -0.306 8.320 -2.367) 8.655 9.899 ( -2.034 4.694 -0.182) 5.119 10.262 ( -0.087 1.149 -0.975) 1.510 10.372 ( 5.414 3.614 -0.877) 6.568 10.614 ( -0.193 -7.904 -1.940) 8.141 10.771 ( -1.128 -1.550 -0.604) 2.010 11.548 ( 0.184 -0.974 -2.078) 2.302 11.755 ( 0.699 -0.705 -3.341) 3.486 12.017 ( 3.736 1.238 3.734) 5.425 12.089 ( 1.316 0.498 0.496) 1.492 13.142 ( -1.220 -5.179 0.126) 5.322 13.551 ( -1.209 -0.780 5.437) 5.624 13.769 ( 2.107 0.001 -4.330) 4.816 14.308 ( 1.046 2.936 0.432) 3.146 15.954 ( -0.696 1.090 -1.328) 1.854 16.155 ( 1.783 3.661 0.317) 4.085 16.262 ( 3.039 5.824 -0.193) 6.572 16.337 ( 0.151 1.418 0.079) 1.428 16.605 ( -1.176 0.817 0.455) 1.502 16.644 ( -1.944 -0.820 0.070) 2.111 16.715 ( -1.152 -5.318 0.230) 5.446 16.798 ( 2.186 -3.466 -2.763) 4.942 17.132 ( 2.777 -0.201 1.297) 3.072 17.301 ( -0.744 0.555 0.136) 0.938 17.458 ( -1.469 -4.334 -0.463) 4.599 17.578 ( -0.344 -1.466 -2.176) 2.646 27.589 ( 2.082 -1.318 2.689) 3.647 27.670 ( -0.900 -0.658 2.865) 3.074 27.786 ( 0.088 -0.211 -3.558) 3.565 27.865 ( -1.755 0.158 -2.168) 2.794 29.013 ( -2.102 10.611 -0.959) 10.860 29.150 ( 4.428 1.983 10.036) 11.147 29.238 ( 0.334 3.963 4.393) 5.925 29.324 ( -2.037 -0.222 6.470) 6.786 29.491 ( 4.343 -0.823 6.620) 7.960 29.648 ( -4.361 -12.297 2.720) 13.328 29.799 ( -2.096 2.084 2.289) 3.738 30.102 ( -3.906 -7.637 -2.281) 8.876 30.527 ( -0.333 -7.878 -15.684) 17.555 31.134 ( 7.439 0.667 -7.513) 10.594 31.624 ( -6.312 0.553 0.959) 6.408 32.237 ( 7.558 12.863 -3.112) 15.240 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 18.747 -5.718 3.205) 19.860 1.606 ( 9.702 -8.196 9.340) 15.765 1.798 ( -2.483 -2.320 -0.323) 3.414 1.886 ( 0.882 -3.482 2.941) 4.642 2.001 ( 1.874 -8.927 -2.160) 9.374 2.061 ( -3.932 -4.419 4.812) 7.626 2.182 ( -0.671 -0.054 -3.620) 3.682 2.247 ( -2.321 -3.847 0.533) 4.524 2.288 ( 1.119 0.679 -3.914) 4.127 2.321 ( 3.357 -2.992 -1.649) 4.789 2.613 ( -4.610 -2.850 -2.622) 6.021 2.694 ( -4.835 2.438 0.768) 5.469 2.866 ( -2.357 -6.984 -1.192) 7.467 2.908 ( -1.439 -3.462 2.395) 4.449 3.069 ( 1.028 -5.038 -4.927) 7.121 3.166 ( 5.076 -8.849 5.111) 11.410 3.237 ( -2.239 -12.502 0.941) 12.736 3.344 ( -1.522 -13.034 3.689) 13.631 3.443 ( 5.114 -3.673 4.737) 7.880 3.645 ( -0.618 -7.124 5.342) 8.925 3.707 ( 1.428 -0.786 6.424) 6.628 3.938 ( -2.307 -3.502 4.798) 6.372 4.018 ( -1.600 -4.351 -0.141) 4.638 4.102 ( -3.712 -5.523 -4.917) 8.275 4.204 ( 0.482 -5.453 1.947) 5.811 4.258 ( -3.902 0.535 0.744) 4.008 4.376 ( -1.088 -2.048 -5.947) 6.383 4.505 ( 4.506 1.277 -3.121) 5.628 4.668 ( 1.424 -3.361 -1.451) 3.928 4.903 ( -2.185 1.568 -3.722) 4.592 4.907 ( 1.640 1.819 -0.115) 2.452 5.045 ( -1.540 -1.705 -3.754) 4.401 5.160 ( -1.026 -0.952 0.258) 1.424 5.228 ( 2.470 4.014 0.958) 4.809 5.411 ( -0.390 4.343 3.514) 5.600 5.474 ( -1.788 4.317 -1.524) 4.915 5.512 ( -3.804 -1.462 1.774) 4.445 5.879 ( 2.075 7.803 -1.175) 8.159 6.105 ( -1.658 -3.934 -2.124) 4.768 6.484 ( 6.767 -4.394 3.137) 8.657 6.550 ( 8.183 4.818 2.240) 9.756 6.721 ( 3.782 0.551 0.610) 3.870 6.752 ( 3.944 3.223 -8.842) 10.204 6.896 ( 0.063 6.799 3.503) 7.649 7.049 ( -2.010 3.519 -0.788) 4.128 7.310 ( -6.215 6.270 0.040) 8.828 7.327 ( -6.626 5.272 7.072) 11.032 7.497 ( 0.944 6.714 1.797) 7.014 8.301 ( 4.588 5.053 1.263) 6.942 8.541 ( -8.313 -3.648 -8.382) 12.356 8.690 ( -4.490 -1.898 -7.696) 9.110 8.967 ( -5.115 13.676 1.390) 14.668 9.145 ( 7.752 6.048 7.954) 12.647 9.391 ( -2.192 9.563 -0.728) 9.838 9.687 ( -0.379 10.108 -2.600) 10.444 9.796 ( -1.387 5.764 1.303) 6.070 10.249 ( 1.230 0.905 -0.809) 1.728 10.374 ( 5.910 2.003 0.996) 6.319 10.687 ( -2.988 -3.277 -1.567) 4.703 10.793 ( -0.939 -2.138 -0.471) 2.382 11.555 ( -0.250 -0.886 -1.310) 1.601 11.753 ( -0.086 -0.599 -3.545) 3.596 12.021 ( 2.317 2.667 3.206) 4.771 12.103 ( 1.375 0.004 0.878) 1.631 13.251 ( -1.014 -8.437 0.186) 8.500 13.582 ( -0.530 -0.897 3.904) 4.040 13.769 ( 1.284 -0.945 -3.242) 3.613 14.245 ( 0.647 5.565 0.240) 5.607 15.919 ( -0.937 1.315 -1.156) 1.986 16.083 ( 1.785 5.577 0.786) 5.909 16.226 ( 3.054 2.035 -0.383) 3.690 16.330 ( 0.515 0.580 0.325) 0.841 16.591 ( -0.780 0.126 -0.190) 0.813 16.641 ( -1.320 -0.547 0.997) 1.742 16.800 ( -0.792 -5.120 1.350) 5.354 16.856 ( 0.326 -3.479 -1.999) 4.026 17.165 ( 2.770 -0.421 0.595) 2.864 17.275 ( -1.481 1.263 -0.825) 2.114 17.523 ( -0.809 -4.442 -0.366) 4.530 17.599 ( -0.231 -2.386 -1.743) 2.964 27.646 ( 1.806 -1.943 2.460) 3.618 27.691 ( -0.477 -0.878 2.756) 2.932 27.777 ( 0.178 -0.186 -2.425) 2.438 27.840 ( -1.581 -0.337 -2.558) 3.025 28.842 ( -3.016 6.633 -2.459) 7.691 29.178 ( 0.613 5.365 6.608) 8.534 29.191 ( 4.678 3.901 6.704) 9.058 29.327 ( -0.497 1.148 2.709) 2.984 29.545 ( 4.140 2.071 6.468) 7.954 29.728 ( 1.190 -1.294 -0.035) 1.759 29.835 ( -4.309 -4.481 1.117) 6.316 30.169 ( -7.275 -7.462 -4.140) 11.214 30.631 ( -3.668 -14.464 -12.065) 19.190 31.144 ( 7.635 1.046 -5.732) 9.604 31.586 ( -4.432 0.302 2.179) 4.948 32.056 ( 6.969 14.261 0.673) 15.887 ======================= Grid point 23 (17/140) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 11.727 3.474 -0.091) 12.231 1.794 ( 6.032 -5.674 7.451) 11.140 1.836 ( 0.491 -2.007 0.933) 2.267 1.962 ( -0.641 -2.613 -0.842) 2.819 2.062 ( -3.925 1.811 4.482) 6.227 2.114 ( -4.295 0.180 -0.959) 4.404 2.143 ( 0.485 -4.716 -6.381) 7.949 2.216 ( 4.521 0.898 0.950) 4.707 2.353 ( 1.099 -4.813 0.106) 4.938 2.393 ( -2.051 -0.802 -2.524) 3.350 2.564 ( -5.775 -1.841 -6.487) 8.878 2.658 ( -0.376 -1.925 8.555) 8.777 2.911 ( 0.073 -2.116 -2.622) 3.370 3.016 ( -2.402 -6.556 -3.467) 7.796 3.196 ( 0.033 -9.707 0.472) 9.719 3.243 ( -1.384 -1.367 0.097) 1.948 3.417 ( 0.013 -2.815 2.348) 3.666 3.489 ( 1.856 -7.979 -0.165) 8.194 3.606 ( -0.117 -4.190 0.410) 4.211 3.775 ( 1.756 -6.738 4.132) 8.097 3.866 ( 6.461 -5.410 10.407) 13.391 3.917 ( -0.110 2.807 5.713) 6.367 4.117 ( -0.521 -8.528 3.045) 9.070 4.151 ( -5.212 -2.070 -4.413) 7.136 4.277 ( -2.700 -5.886 -3.847) 7.532 4.349 ( 1.826 -12.959 0.533) 13.098 4.440 ( 6.936 -1.993 -2.884) 7.771 4.533 ( 1.575 -4.044 -1.206) 4.504 4.678 ( -5.841 1.533 2.035) 6.373 4.859 ( -0.652 2.338 1.370) 2.787 4.889 ( -0.252 -4.884 -6.306) 7.980 5.054 ( -1.335 -2.415 -3.899) 4.776 5.157 ( 3.166 -0.523 -1.102) 3.393 5.246 ( -1.521 -1.774 3.012) 3.812 5.375 ( -1.017 1.291 -3.366) 3.746 5.404 ( -0.056 1.026 3.198) 3.359 5.517 ( -2.699 -0.731 0.802) 2.909 5.759 ( 2.458 7.162 -1.080) 7.649 6.144 ( -2.444 -3.470 -2.607) 4.981 6.464 ( 1.505 9.058 -1.057) 9.243 6.592 ( 3.999 0.489 5.952) 7.187 6.690 ( 4.702 3.361 -5.546) 8.010 6.743 ( 5.600 5.514 1.685) 8.038 6.800 ( 3.747 1.905 -3.747) 5.631 6.988 ( -6.181 3.608 5.021) 8.743 7.102 ( -4.101 10.701 4.835) 12.438 7.195 ( -8.014 7.100 0.386) 10.714 7.433 ( 3.124 2.045 -2.013) 4.242 8.315 ( 5.204 0.159 1.700) 5.477 8.449 ( -4.431 7.565 -4.917) 10.052 8.674 ( 0.093 -3.964 -8.577) 9.449 8.714 ( -8.580 7.173 4.479) 12.047 9.108 ( 3.839 6.728 2.689) 8.200 9.251 ( -1.608 5.184 1.263) 5.572 9.538 ( 1.658 6.915 -1.272) 7.224 9.707 ( -0.735 4.751 1.517) 5.041 10.236 ( 1.024 1.472 -0.362) 1.829 10.397 ( 7.443 2.872 1.482) 8.114 10.667 ( -6.065 -0.385 -1.825) 6.345 10.820 ( -0.433 -1.981 -0.128) 2.032 11.562 ( -0.510 -0.748 -0.229) 0.934 11.738 ( -0.636 -0.139 -3.506) 3.566 12.011 ( 1.425 2.131 3.505) 4.343 12.102 ( 0.526 1.351 -0.614) 1.575 13.385 ( -0.675 -7.888 0.146) 7.919 13.604 ( 0.189 -0.102 1.537) 1.552 13.799 ( 0.393 -3.372 -1.298) 3.635 14.141 ( 0.160 7.340 -0.000) 7.342 15.891 ( -0.818 0.614 -0.662) 1.219 16.030 ( 1.795 2.963 0.750) 3.545 16.215 ( 1.563 1.648 -0.033) 2.272 16.323 ( 0.146 0.824 0.222) 0.865 16.584 ( -0.474 -0.369 -0.973) 1.144 16.654 ( -0.163 -0.717 1.556) 1.721 16.876 ( 0.028 -3.650 0.381) 3.669 16.900 ( -0.810 -2.962 -0.300) 3.085 17.183 ( 1.168 1.378 0.171) 1.815 17.243 ( -0.738 -0.330 -1.140) 1.398 17.581 ( -0.229 -3.059 0.022) 3.067 17.632 ( 0.007 -2.332 -0.860) 2.485 27.688 ( 0.264 -0.982 0.853) 1.327 27.720 ( 0.760 -0.091 2.279) 2.404 27.771 ( 0.077 -0.421 0.014) 0.429 27.836 ( -0.792 -1.842 -2.563) 3.254 28.721 ( -2.943 3.538 -2.647) 5.309 29.109 ( -0.418 5.390 4.802) 7.231 29.190 ( 3.780 3.784 2.763) 6.020 29.311 ( 1.239 2.036 0.824) 2.522 29.566 ( 4.285 3.203 6.757) 8.619 29.742 ( -1.619 0.548 -1.243) 2.113 29.861 ( 0.888 -2.500 0.372) 2.679 30.193 ( -9.317 -6.914 -7.056) 13.579 30.804 ( -4.769 -14.953 -6.294) 16.910 31.177 ( 9.034 1.011 -0.515) 9.105 31.531 ( -4.283 3.780 -0.173) 5.715 31.912 ( 4.668 8.955 2.735) 10.462 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 3.180 12.770 -0.534) 13.171 1.795 ( -0.935 8.995 -0.677) 9.068 1.901 ( -1.325 -2.144 -1.584) 2.977 1.968 ( 3.721 0.063 9.327) 10.042 2.074 ( -2.657 0.267 1.055) 2.871 2.106 ( 0.850 1.170 -0.652) 1.586 2.166 ( -2.244 -1.930 -6.069) 6.752 2.209 ( 0.325 -6.087 -1.423) 6.259 2.423 ( 1.506 -0.548 -0.128) 1.608 2.442 ( 3.732 -5.940 0.269) 7.020 2.559 ( -4.302 -4.617 -0.505) 6.331 2.793 ( 0.952 -5.608 7.661) 9.542 2.894 ( 0.353 0.090 -5.904) 5.915 3.073 ( -1.626 -3.111 -1.051) 3.664 3.224 ( -2.063 0.953 -1.605) 2.782 3.286 ( 0.294 0.099 0.324) 0.449 3.395 ( -0.559 3.687 -0.692) 3.793 3.588 ( 0.278 0.112 4.642) 4.651 3.616 ( 0.742 -0.015 -2.216) 2.338 3.825 ( 1.395 -1.391 -1.839) 2.695 3.988 ( 2.303 -0.179 7.402) 7.754 4.070 ( 7.325 -4.300 3.043) 9.022 4.138 ( 0.950 -3.242 1.739) 3.800 4.220 ( -5.083 1.093 -4.946) 7.176 4.319 ( -0.542 -10.875 1.614) 11.008 4.429 ( -1.509 2.102 -0.686) 2.677 4.487 ( -0.665 6.923 -0.364) 6.964 4.618 ( 1.152 -6.279 -0.113) 6.385 4.725 ( -1.717 -8.529 0.799) 8.737 4.836 ( 0.803 -1.497 0.462) 1.761 4.944 ( 1.600 -0.598 -3.974) 4.326 5.084 ( -1.708 -4.919 -2.578) 5.810 5.212 ( 1.641 -2.915 -0.460) 3.377 5.250 ( -2.379 1.634 0.810) 2.998 5.368 ( -0.991 -2.778 1.617) 3.364 5.416 ( -0.041 -0.384 0.955) 1.030 5.486 ( -1.116 2.000 -1.022) 2.508 5.712 ( 2.560 0.544 -0.217) 2.626 6.148 ( -3.029 -1.512 -1.305) 3.628 6.343 ( 0.558 4.233 -0.691) 4.325 6.563 ( 1.154 7.122 0.335) 7.223 6.645 ( 0.078 5.189 3.819) 6.443 6.689 ( 3.553 2.072 -3.341) 5.299 6.822 ( 6.195 1.984 -1.426) 6.660 6.831 ( -3.713 6.602 1.467) 7.715 7.032 ( -1.196 1.810 2.984) 3.689 7.046 ( -6.493 0.881 1.410) 6.702 7.479 ( 3.373 -6.478 -2.899) 7.858 8.136 ( -3.231 16.495 -1.922) 16.918 8.430 ( 2.730 -5.319 0.600) 6.009 8.674 ( -3.898 -3.173 6.326) 8.080 8.732 ( -0.595 -6.877 -7.770) 10.393 9.072 ( 5.368 1.970 1.258) 5.855 9.187 ( -3.917 0.901 0.896) 4.118 9.467 ( 1.785 3.282 -0.013) 3.736 9.637 ( -0.520 3.924 0.669) 4.014 10.215 ( 0.269 1.353 -0.171) 1.390 10.387 ( 5.508 5.973 0.785) 8.163 10.623 ( -5.075 -1.685 -1.196) 5.480 10.848 ( -0.161 -1.659 0.085) 1.669 11.568 ( -0.548 -0.436 0.225) 0.735 11.719 ( -0.510 -0.000 -2.229) 2.286 12.008 ( 0.909 1.590 3.828) 4.244 12.062 ( -0.417 2.424 -2.504) 3.510 13.486 ( -0.279 -4.532 0.028) 4.541 13.597 ( 0.275 1.842 0.230) 1.876 13.878 ( 0.215 -6.128 -0.121) 6.133 14.014 ( -0.274 7.549 -0.151) 7.556 15.881 ( -0.368 -0.230 -0.138) 0.456 16.015 ( 1.164 0.993 0.423) 1.588 16.193 ( 0.207 1.884 0.180) 1.904 16.307 ( -0.088 1.019 -0.005) 1.022 16.588 ( 0.011 -0.755 -0.689) 1.022 16.670 ( 0.163 -0.490 0.688) 0.860 16.922 ( 0.296 -2.020 -0.456) 2.092 16.936 ( -0.453 -1.469 0.606) 1.653 17.137 ( -0.813 3.257 -0.142) 3.360 17.268 ( 0.572 -2.135 -0.314) 2.232 17.617 ( -0.063 -1.505 -0.061) 1.507 17.665 ( 0.177 -1.764 0.071) 1.774 27.697 ( -0.076 1.923 0.439) 1.974 27.704 ( -0.052 0.215 -0.356) 0.419 27.807 ( 0.797 -1.546 2.189) 2.796 27.857 ( -0.306 -2.365 -1.724) 2.943 28.656 ( -1.833 0.616 -1.805) 2.645 29.046 ( -0.099 4.137 2.627) 4.902 29.163 ( 0.926 1.779 -0.852) 2.179 29.287 ( 1.461 2.448 0.424) 2.882 29.573 ( 3.600 3.771 6.599) 8.410 29.674 ( -2.209 2.766 -4.953) 6.088 29.969 ( 5.942 -5.168 4.926) 9.289 30.186 ( -10.896 -6.640 -8.412) 15.283 30.962 ( -2.873 -9.770 -2.081) 10.395 31.222 ( 9.944 7.256 4.724) 13.186 31.407 ( -6.308 1.058 -4.370) 7.747 31.857 ( 1.969 3.481 2.657) 4.801 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 17.260 -0.000) 17.260 1.570 ( 0.000 16.619 -0.000) 16.619 1.941 ( -0.000 -2.551 0.000) 2.551 1.948 ( 0.000 8.535 -0.000) 8.535 2.004 ( 0.000 0.035 -0.000) 0.035 2.055 ( 0.000 0.789 -0.000) 0.789 2.295 ( -0.000 -8.227 0.000) 8.227 2.347 ( -0.000 -6.625 0.000) 6.625 2.406 ( 0.000 1.510 -0.000) 1.510 2.525 ( -0.000 -2.594 0.000) 2.594 2.609 ( -0.000 -0.644 0.000) 0.644 2.819 ( 0.000 1.806 -0.000) 1.806 2.933 ( -0.000 -2.821 0.000) 2.821 3.083 ( 0.000 0.341 -0.000) 0.341 3.181 ( 0.000 2.092 -0.000) 2.092 3.241 ( 0.000 4.295 -0.000) 4.295 3.331 ( 0.000 2.552 -0.000) 2.552 3.565 ( 0.000 3.980 -0.000) 3.980 3.585 ( 0.000 4.489 -0.000) 4.489 3.836 ( 0.000 1.764 -0.000) 1.764 3.963 ( 0.000 4.936 -0.000) 4.936 4.051 ( 0.000 6.216 -0.000) 6.216 4.166 ( -0.000 -0.852 0.000) 0.852 4.282 ( -0.000 -3.636 0.000) 3.636 4.331 ( 0.000 8.823 -0.000) 8.823 4.351 ( 0.000 4.861 -0.000) 4.861 4.473 ( -0.000 -4.766 0.000) 4.766 4.624 ( 0.000 3.472 -0.000) 3.472 4.755 ( 0.000 4.677 -0.000) 4.677 4.916 ( -0.000 -5.087 0.000) 5.087 4.917 ( 0.000 5.165 -0.000) 5.165 5.062 ( 0.000 2.259 -0.000) 2.259 5.231 ( 0.000 1.245 -0.000) 1.245 5.266 ( -0.000 -3.922 0.000) 3.922 5.358 ( 0.000 2.839 -0.000) 2.839 5.488 ( -0.000 -8.830 0.000) 8.830 5.501 ( -0.000 -3.946 0.000) 3.946 5.720 ( 0.000 0.969 -0.000) 0.969 6.171 ( -0.000 -3.442 0.000) 3.442 6.316 ( 0.000 0.535 -0.000) 0.535 6.396 ( 0.000 11.190 -0.000) 11.190 6.604 ( 0.000 2.035 -0.000) 2.035 6.663 ( -0.000 -0.824 0.000) 0.824 6.826 ( -0.000 -4.242 0.000) 4.242 6.852 ( -0.000 -4.515 0.000) 4.515 7.027 ( -0.000 -0.613 0.000) 0.613 7.061 ( -0.000 -5.333 0.000) 5.333 7.657 ( -0.000 -12.160 0.000) 12.160 7.893 ( 0.000 8.975 -0.000) 8.975 8.574 ( -0.000 -10.249 0.000) 10.249 8.772 ( -0.000 -5.059 0.000) 5.059 8.808 ( -0.000 -8.361 0.000) 8.361 9.123 ( -0.000 -2.600 0.000) 2.600 9.176 ( -0.000 -2.494 0.000) 2.494 9.456 ( -0.000 -1.527 0.000) 1.527 9.581 ( 0.000 2.187 -0.000) 2.187 10.199 ( 0.000 0.575 -0.000) 0.575 10.303 ( 0.000 6.073 -0.000) 6.073 10.636 ( -0.000 -2.017 0.000) 2.017 10.871 ( -0.000 -1.051 0.000) 1.051 11.570 ( -0.000 -0.123 0.000) 0.123 11.713 ( -0.000 -0.221 0.000) 0.221 11.992 ( 0.000 3.593 -0.000) 3.593 12.015 ( 0.000 0.640 -0.000) 0.640 13.533 ( -0.000 -1.423 0.000) 1.423 13.543 ( 0.000 5.127 -0.000) 5.127 13.897 ( 0.000 5.886 -0.000) 5.886 13.995 ( -0.000 -7.371 0.000) 7.371 15.889 ( -0.000 -0.790 0.000) 0.790 16.010 ( 0.000 0.429 -0.000) 0.429 16.162 ( 0.000 1.826 -0.000) 1.826 16.293 ( 0.000 0.556 -0.000) 0.556 16.601 ( -0.000 -0.897 0.000) 0.897 16.679 ( -0.000 -0.331 0.000) 0.331 16.931 ( 0.000 2.344 -0.000) 2.344 16.947 ( -0.000 -0.925 0.000) 0.925 17.085 ( 0.000 2.130 -0.000) 2.130 17.304 ( -0.000 -1.759 0.000) 1.759 17.631 ( -0.000 -0.320 0.000) 0.320 17.689 ( -0.000 -0.950 0.000) 0.950 27.649 ( 0.000 3.186 -0.000) 3.186 27.705 ( 0.000 0.100 -0.000) 0.100 27.833 ( -0.000 -0.588 0.000) 0.588 27.891 ( -0.000 -2.085 0.000) 2.085 28.657 ( -0.000 -2.235 0.000) 2.235 28.998 ( 0.000 2.322 -0.000) 2.322 29.152 ( -0.000 -0.510 0.000) 0.510 29.265 ( 0.000 0.892 -0.000) 0.892 29.536 ( 0.000 5.165 -0.000) 5.165 29.614 ( 0.000 0.992 -0.000) 0.992 30.152 ( -0.000 -3.841 0.000) 3.841 30.174 ( -0.000 -8.340 0.000) 8.340 31.054 ( 0.000 15.451 -0.000) 15.451 31.058 ( -0.000 -4.014 0.000) 4.014 31.453 ( -0.000 -7.322 0.000) 7.322 31.822 ( 0.000 3.170 -0.000) 3.170 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 13.395 -0.000 13.786) 19.222 1.399 ( 21.813 -0.000 4.464) 22.265 1.664 ( -3.353 0.000 4.656) 5.738 1.789 ( -3.139 0.000 3.678) 4.835 1.887 ( 1.229 -0.000 -4.533) 4.696 1.903 ( -0.180 0.000 -3.207) 3.212 2.149 ( 11.415 -0.000 3.439) 11.921 2.179 ( 2.151 -0.000 -1.593) 2.677 2.260 ( -3.591 0.000 3.579) 5.070 2.428 ( -3.345 0.000 -9.550) 10.119 2.512 ( 4.822 -0.000 -3.892) 6.196 2.609 ( -7.003 0.000 3.318) 7.749 2.782 ( 5.917 -0.000 13.592) 14.824 2.793 ( -6.342 0.000 2.399) 6.780 2.899 ( -8.663 0.000 5.692) 10.366 2.978 ( 1.052 -0.000 -12.053) 12.099 3.080 ( 5.501 -0.000 1.114) 5.612 3.146 ( -3.666 0.000 -1.021) 3.805 3.403 ( 4.193 -0.000 3.835) 5.682 3.526 ( -1.218 0.000 5.653) 5.783 3.769 ( -5.288 0.000 6.641) 8.489 3.833 ( 2.940 -0.000 -2.782) 4.047 3.883 ( -3.174 0.000 2.325) 3.935 4.051 ( -2.024 0.000 -1.056) 2.283 4.084 ( -2.320 0.000 0.959) 2.511 4.279 ( -15.587 0.000 -10.736) 18.927 4.341 ( -1.032 0.000 5.718) 5.810 4.536 ( 3.239 -0.000 -2.229) 3.932 4.667 ( 9.743 -0.000 -3.343) 10.300 4.921 ( 1.516 -0.000 -1.151) 1.904 4.963 ( -0.434 0.000 1.907) 1.956 5.048 ( 0.705 -0.000 -4.438) 4.494 5.065 ( 0.718 -0.000 -1.741) 1.883 5.335 ( -3.500 0.000 -2.141) 4.103 5.458 ( 2.230 -0.000 -4.822) 5.312 5.566 ( -2.994 0.000 2.695) 4.029 5.645 ( -3.848 0.000 7.375) 8.319 5.991 ( 4.382 -0.000 -2.441) 5.016 6.153 ( -7.095 0.000 9.678) 12.000 6.238 ( 5.570 -0.000 -3.291) 6.469 6.653 ( 12.108 -0.000 2.015) 12.274 6.697 ( 9.994 -0.000 -0.585) 10.011 6.816 ( 0.883 -0.000 -5.212) 5.287 7.013 ( 5.686 -0.000 0.966) 5.768 7.169 ( -6.774 0.000 -1.918) 7.041 7.277 ( -7.274 0.000 6.012) 9.437 7.508 ( -0.329 0.000 2.501) 2.522 7.629 ( -2.835 0.000 4.318) 5.166 8.448 ( -8.206 0.000 -11.987) 14.527 8.528 ( -15.403 0.000 -7.160) 16.986 8.551 ( 5.442 -0.000 2.881) 6.157 9.115 ( 7.108 -0.000 4.951) 8.662 9.407 ( 3.904 -0.000 4.842) 6.220 9.577 ( -1.643 0.000 -1.691) 2.358 9.904 ( -3.477 0.000 -1.736) 3.886 9.940 ( 0.721 -0.000 -1.321) 1.504 10.261 ( -2.291 0.000 0.732) 2.405 10.467 ( 4.813 -0.000 -3.270) 5.819 10.486 ( -1.284 0.000 -0.308) 1.321 10.746 ( -1.023 0.000 -0.717) 1.249 11.535 ( 0.480 -0.000 -1.326) 1.410 11.739 ( 0.604 -0.000 -2.913) 2.975 12.071 ( 3.010 -0.000 3.438) 4.569 12.101 ( 0.629 -0.000 0.060) 0.632 13.089 ( -1.058 0.000 0.036) 1.059 13.564 ( -1.070 0.000 6.068) 6.162 13.764 ( 2.085 -0.000 -4.705) 5.146 14.343 ( 1.003 -0.000 0.398) 1.079 15.950 ( -0.791 0.000 -1.468) 1.668 16.201 ( 2.773 -0.000 -0.063) 2.773 16.328 ( 1.704 -0.000 -0.162) 1.712 16.359 ( -2.298 0.000 -0.574) 2.369 16.608 ( -0.459 0.000 0.619) 0.771 16.615 ( -1.192 0.000 -1.418) 1.852 16.652 ( 0.288 -0.000 -0.791) 0.841 16.782 ( 1.785 -0.000 -0.348) 1.818 17.158 ( 2.332 -0.000 1.441) 2.742 17.306 ( -0.288 0.000 0.507) 0.583 17.408 ( -1.213 0.000 0.227) 1.234 17.548 ( -0.763 0.000 -2.494) 2.608 27.608 ( 2.207 -0.000 2.734) 3.513 27.673 ( -0.910 0.000 3.495) 3.612 27.766 ( 0.233 -0.000 -3.969) 3.976 27.842 ( -1.790 0.000 -2.216) 2.849 29.169 ( -0.600 0.000 0.150) 0.619 29.244 ( -0.207 0.000 -0.188) 0.280 29.273 ( 4.314 -0.000 11.286) 12.082 29.309 ( -0.585 0.000 2.335) 2.407 29.480 ( -5.108 0.000 12.673) 13.663 29.555 ( 3.361 -0.000 4.332) 5.483 29.844 ( -1.853 0.000 1.762) 2.557 29.983 ( -2.109 0.000 -4.210) 4.709 30.400 ( 1.561 -0.000 -15.193) 15.273 31.152 ( 6.345 -0.000 -9.250) 11.217 31.582 ( -6.085 0.000 2.106) 6.439 32.371 ( 3.604 -0.000 -2.692) 4.498 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 10.834 -12.098 11.832) 20.093 1.610 ( 17.228 -4.394 1.956) 17.887 1.725 ( -4.134 -4.972 5.194) 8.294 1.842 ( 0.569 -6.242 5.122) 8.095 1.861 ( 0.886 -1.324 -3.339) 3.699 1.953 ( -1.602 -5.730 -2.349) 6.397 2.191 ( 0.527 -0.760 -2.786) 2.935 2.198 ( 2.321 2.732 -2.932) 4.631 2.254 ( -3.598 -0.078 3.774) 5.215 2.368 ( 4.312 -0.128 -3.255) 5.404 2.489 ( -2.587 -1.797 -8.053) 8.647 2.646 ( -6.434 -4.382 4.820) 9.156 2.767 ( -2.307 -2.352 0.527) 3.336 2.873 ( -8.775 -2.255 4.067) 9.931 2.966 ( 7.192 -4.555 -9.766) 12.956 3.035 ( 2.782 -9.556 -3.716) 10.623 3.064 ( -6.178 -6.946 6.665) 11.438 3.217 ( 5.551 -2.688 3.497) 7.090 3.468 ( 6.159 -1.363 6.147) 8.807 3.579 ( -1.419 -4.121 5.999) 7.415 3.732 ( -3.364 0.749 2.807) 4.444 3.894 ( 1.253 -3.859 0.315) 4.069 3.898 ( -2.265 -4.476 1.239) 5.168 4.035 ( -5.424 1.820 -1.721) 5.974 4.073 ( -3.037 -5.324 -2.518) 6.627 4.219 ( -4.472 -8.389 -3.713) 10.206 4.333 ( -0.113 4.610 4.581) 6.500 4.541 ( 2.610 0.422 -2.266) 3.481 4.702 ( 6.873 2.253 -1.165) 7.327 4.888 ( -1.103 1.732 -6.899) 7.198 4.955 ( -0.328 1.007 1.911) 2.185 5.027 ( -0.542 2.707 -0.303) 2.777 5.094 ( -0.531 -4.634 -0.620) 4.705 5.294 ( -0.808 1.963 -2.487) 3.270 5.454 ( 0.446 -0.181 -1.770) 1.834 5.538 ( -0.003 3.366 0.789) 3.457 5.573 ( -1.592 7.824 6.133) 10.068 5.985 ( 1.274 3.639 -1.488) 4.133 6.068 ( -1.471 2.758 1.444) 3.443 6.416 ( 5.034 -10.688 2.352) 12.046 6.719 ( 10.509 3.708 3.059) 11.557 6.764 ( 0.089 3.033 -1.893) 3.577 6.780 ( 6.201 -0.115 -3.747) 7.246 7.000 ( -2.817 4.854 1.283) 5.757 7.080 ( -4.198 2.428 -0.533) 4.879 7.276 ( -1.927 0.027 3.157) 3.698 7.468 ( -1.665 5.809 3.986) 7.239 7.586 ( -2.229 3.889 1.034) 4.600 8.358 ( -7.694 0.805 -3.450) 8.471 8.379 ( -5.170 -3.044 -9.430) 11.177 8.607 ( 0.847 -0.535 -0.552) 1.144 9.122 ( 1.092 6.577 0.626) 6.697 9.391 ( 7.481 8.989 7.218) 13.743 9.506 ( -1.580 6.195 -1.350) 6.535 9.812 ( -2.994 6.543 -2.660) 7.671 9.881 ( -0.607 5.600 0.330) 5.642 10.250 ( -0.594 -0.485 -0.088) 0.772 10.437 ( 3.172 1.007 -0.092) 3.330 10.579 ( -1.653 -5.996 -1.703) 6.448 10.751 ( -0.741 -1.698 -0.443) 1.905 11.537 ( 0.172 -0.480 -0.830) 0.974 11.732 ( 0.156 -0.167 -2.370) 2.381 12.085 ( 1.235 1.739 1.559) 2.642 12.116 ( 1.228 -0.398 1.178) 1.748 13.127 ( -0.755 -5.262 0.088) 5.317 13.588 ( -0.656 -0.345 4.782) 4.840 13.757 ( 1.413 -0.036 -3.846) 4.097 14.326 ( 0.668 3.152 0.262) 3.233 15.928 ( -0.761 1.106 -1.133) 1.756 16.188 ( 1.836 4.415 0.136) 4.783 16.290 ( 1.005 3.404 -0.563) 3.593 16.342 ( 0.343 0.289 0.117) 0.463 16.590 ( -0.622 0.696 -0.864) 1.272 16.623 ( -1.029 -1.054 1.114) 1.847 16.706 ( 0.083 -5.515 -0.190) 5.519 16.808 ( 0.777 -1.792 -0.570) 2.034 17.182 ( 1.834 -0.166 0.899) 2.049 17.288 ( -0.700 1.701 -0.180) 1.848 17.442 ( -0.569 -4.227 0.250) 4.273 17.547 ( -0.639 -1.974 -1.965) 2.858 27.647 ( 1.789 -1.039 2.333) 3.118 27.689 ( -0.543 -0.665 3.505) 3.608 27.756 ( 0.396 -0.734 -3.347) 3.449 27.815 ( -1.678 0.278 -2.284) 2.848 28.972 ( -1.375 12.067 -0.856) 12.176 29.278 ( 0.347 3.251 2.549) 4.146 29.331 ( 4.412 2.908 9.677) 11.026 29.348 ( 0.115 -1.233 2.082) 2.423 29.607 ( 2.806 -1.141 3.946) 4.975 29.611 ( -3.976 -11.012 3.133) 12.120 29.805 ( -0.424 2.147 3.602) 4.215 29.998 ( -4.400 -4.938 -4.832) 8.191 30.385 ( 0.321 -5.605 -12.212) 13.440 31.159 ( 4.918 -0.873 -7.371) 8.904 31.558 ( -4.061 -0.518 2.695) 4.901 32.302 ( 3.079 9.388 -0.635) 9.900 ======================= Grid point 32 (22/140) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.378 -2.761 6.843) 7.389 1.799 ( 10.986 -3.955 -0.838) 11.706 1.830 ( 7.215 -3.262 6.072) 9.978 1.902 ( -0.116 -4.397 -0.860) 4.482 1.995 ( -2.613 -6.454 -4.313) 8.190 2.061 ( -1.306 -7.708 7.030) 10.514 2.101 ( -2.327 4.781 -4.700) 7.097 2.156 ( -4.638 -3.247 -6.065) 8.297 2.295 ( 1.100 -3.361 6.630) 7.515 2.406 ( 3.125 0.922 -1.210) 3.476 2.462 ( -3.545 -1.649 -9.262) 10.053 2.690 ( 0.172 -1.232 8.965) 9.051 2.823 ( -4.262 -3.926 -3.823) 6.942 2.872 ( 0.289 -6.360 -3.248) 7.147 2.997 ( -1.661 -7.610 -2.040) 8.052 3.239 ( 2.260 -12.439 0.574) 12.655 3.268 ( 0.569 -3.605 1.345) 3.890 3.329 ( -0.998 -12.818 -0.273) 12.859 3.572 ( 1.430 -0.900 2.781) 3.254 3.688 ( 0.245 -7.117 4.274) 8.306 3.804 ( 2.202 -9.585 4.501) 10.816 3.969 ( -0.950 0.590 5.791) 5.898 3.999 ( -0.502 -6.303 0.818) 6.376 4.019 ( 0.105 -10.509 -1.824) 10.667 4.126 ( -4.423 -7.329 -7.146) 11.150 4.242 ( 0.394 6.350 1.478) 6.531 4.384 ( 1.732 -11.102 0.138) 11.237 4.539 ( 1.717 1.576 -0.982) 2.529 4.702 ( 2.767 2.292 1.037) 3.740 4.791 ( -4.038 2.298 -4.588) 6.530 4.939 ( 0.167 4.034 1.543) 4.323 4.990 ( -0.752 -2.329 -2.749) 3.681 5.168 ( -0.305 -3.266 2.982) 4.433 5.235 ( 0.712 2.589 -3.704) 4.575 5.431 ( 0.313 5.702 0.336) 5.721 5.464 ( 1.328 4.760 -0.858) 5.015 5.487 ( -2.620 0.322 3.035) 4.022 5.892 ( 0.636 7.048 -0.362) 7.085 6.070 ( -0.600 -2.562 -1.113) 2.857 6.617 ( 2.749 0.095 3.474) 4.431 6.635 ( 2.807 4.085 -1.057) 5.068 6.761 ( 5.112 2.405 -1.977) 5.985 6.803 ( 3.721 -1.207 0.138) 3.915 6.872 ( -0.962 6.179 -2.545) 6.752 7.008 ( -6.843 2.615 3.827) 8.265 7.213 ( -2.184 7.862 -0.520) 8.176 7.346 ( -0.900 9.872 4.793) 11.011 7.495 ( -0.449 4.451 -2.050) 4.921 8.337 ( 0.186 -2.429 0.516) 2.490 8.386 ( -3.358 -4.632 -4.629) 7.360 8.596 ( -0.605 0.105 -2.073) 2.162 8.928 ( -1.309 15.657 0.378) 15.716 9.299 ( 3.878 10.532 3.591) 11.784 9.358 ( -1.460 9.015 -0.728) 9.162 9.665 ( 0.254 7.355 -1.173) 7.452 9.785 ( -0.985 5.086 0.611) 5.217 10.256 ( 0.337 0.133 -0.061) 0.367 10.473 ( 4.803 -0.960 0.894) 4.979 10.606 ( -4.215 -0.788 -1.524) 4.551 10.780 ( -0.355 -2.325 -0.167) 2.358 11.545 ( -0.085 -0.737 -0.204) 0.769 11.722 ( -0.217 0.129 -1.692) 1.711 12.066 ( 0.619 2.027 1.257) 2.464 12.125 ( 0.583 0.792 0.262) 1.017 13.241 ( -0.379 -8.485 0.084) 8.494 13.608 ( -0.176 -0.339 1.973) 2.009 13.759 ( 0.523 -1.184 -1.664) 2.109 14.254 ( 0.248 5.881 0.085) 5.887 15.898 ( -0.472 1.205 -0.519) 1.395 16.110 ( 0.801 5.094 0.246) 5.162 16.259 ( 1.198 2.037 -0.160) 2.368 16.338 ( 0.155 0.660 0.143) 0.693 16.574 ( -0.431 0.160 -0.618) 0.770 16.644 ( -0.165 -1.199 1.065) 1.612 16.803 ( -0.021 -5.597 0.439) 5.615 16.843 ( -0.186 -2.517 -0.700) 2.620 17.204 ( 1.302 -0.602 0.500) 1.519 17.245 ( -0.949 2.246 -0.760) 2.554 17.518 ( -0.105 -4.497 0.299) 4.508 17.580 ( -0.214 -3.007 -0.961) 3.165 27.679 ( 0.280 -0.794 0.812) 1.170 27.729 ( 1.111 -1.648 3.711) 4.210 27.762 ( 0.213 -0.637 -1.189) 1.365 27.788 ( -1.491 -0.534 -3.074) 3.459 28.791 ( -1.122 7.988 -0.874) 8.114 29.218 ( -0.100 5.196 2.478) 5.757 29.295 ( 0.813 5.167 1.321) 5.395 29.376 ( 2.602 2.268 3.460) 4.888 29.648 ( 1.892 0.078 2.931) 3.490 29.718 ( -1.431 -2.846 -1.185) 3.399 29.836 ( 1.677 -2.287 5.129) 5.861 30.005 ( -5.894 -4.368 -6.525) 9.818 30.496 ( -1.365 -13.828 -5.528) 14.955 31.198 ( 3.760 -2.539 -2.697) 5.278 31.547 ( -2.417 0.755 1.483) 2.934 32.135 ( 2.199 12.414 0.520) 12.618 ======================= Grid point 33 (23/140) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 9.358 -0.000) 9.358 1.834 ( -0.000 -3.067 0.000) 3.067 1.930 ( 0.000 6.242 -0.000) 6.242 1.965 ( -0.000 -7.842 0.000) 7.842 2.005 ( -0.000 -5.443 0.000) 5.443 2.032 ( -0.000 -3.273 0.000) 3.273 2.106 ( 0.000 2.342 -0.000) 2.342 2.298 ( -0.000 -12.392 0.000) 12.392 2.328 ( 0.000 9.143 -0.000) 9.143 2.408 ( -0.000 -2.761 0.000) 2.761 2.435 ( -0.000 -4.976 0.000) 4.976 2.798 ( -0.000 -3.312 0.000) 3.312 2.803 ( -0.000 -2.496 0.000) 2.496 2.983 ( -0.000 -6.471 0.000) 6.471 3.176 ( -0.000 -10.400 0.000) 10.400 3.254 ( 0.000 0.461 -0.000) 0.461 3.429 ( -0.000 -1.222 0.000) 1.222 3.511 ( -0.000 -11.663 0.000) 11.663 3.588 ( -0.000 -1.253 0.000) 1.253 3.795 ( -0.000 -3.166 0.000) 3.166 4.001 ( -0.000 -9.614 0.000) 9.614 4.043 ( -0.000 -7.294 0.000) 7.294 4.047 ( 0.000 1.969 -0.000) 1.969 4.125 ( -0.000 -2.288 0.000) 2.288 4.193 ( -0.000 -6.389 0.000) 6.389 4.369 ( -0.000 -19.835 0.000) 19.835 4.474 ( 0.000 3.211 -0.000) 3.211 4.575 ( -0.000 -7.932 0.000) 7.932 4.612 ( 0.000 7.841 -0.000) 7.841 4.839 ( -0.000 -9.190 0.000) 9.190 4.873 ( 0.000 3.885 -0.000) 3.885 5.021 ( -0.000 -1.588 0.000) 1.588 5.190 ( 0.000 0.252 -0.000) 0.252 5.231 ( -0.000 -2.261 0.000) 2.261 5.352 ( 0.000 1.890 -0.000) 1.890 5.425 ( 0.000 0.694 -0.000) 0.694 5.496 ( -0.000 -0.365 0.000) 0.365 5.776 ( 0.000 6.289 -0.000) 6.289 6.107 ( -0.000 -2.178 0.000) 2.178 6.460 ( 0.000 9.387 -0.000) 9.387 6.654 ( 0.000 3.729 -0.000) 3.729 6.737 ( 0.000 2.155 -0.000) 2.155 6.751 ( 0.000 5.951 -0.000) 5.951 6.914 ( -0.000 -2.866 0.000) 2.866 6.921 ( 0.000 4.293 -0.000) 4.293 7.026 ( 0.000 9.002 -0.000) 9.002 7.167 ( 0.000 11.591 -0.000) 11.591 7.440 ( 0.000 1.088 -0.000) 1.088 8.362 ( 0.000 7.121 -0.000) 7.121 8.395 ( -0.000 -1.597 0.000) 1.597 8.619 ( -0.000 -4.332 0.000) 4.332 8.677 ( 0.000 8.607 -0.000) 8.607 9.185 ( 0.000 7.887 -0.000) 7.887 9.206 ( 0.000 4.729 -0.000) 4.729 9.556 ( 0.000 6.047 -0.000) 6.047 9.706 ( 0.000 4.359 -0.000) 4.359 10.242 ( 0.000 1.559 -0.000) 1.559 10.524 ( 0.000 5.543 -0.000) 5.543 10.548 ( -0.000 -3.016 0.000) 3.016 10.816 ( -0.000 -2.161 0.000) 2.161 11.557 ( -0.000 -0.698 0.000) 0.698 11.713 ( 0.000 0.163 -0.000) 0.163 12.043 ( 0.000 1.460 -0.000) 1.460 12.100 ( 0.000 2.437 -0.000) 2.437 13.381 ( -0.000 -7.916 0.000) 7.916 13.614 ( 0.000 0.154 -0.000) 0.154 13.795 ( -0.000 -3.591 0.000) 3.591 14.142 ( 0.000 7.599 -0.000) 7.599 15.880 ( 0.000 0.472 -0.000) 0.472 16.050 ( 0.000 2.725 -0.000) 2.725 16.229 ( 0.000 2.099 -0.000) 2.099 16.325 ( 0.000 0.985 -0.000) 0.985 16.574 ( -0.000 -0.544 0.000) 0.544 16.663 ( -0.000 -0.765 0.000) 0.765 16.882 ( -0.000 -2.629 0.000) 2.629 16.887 ( -0.000 -4.166 0.000) 4.166 17.189 ( 0.000 3.226 -0.000) 3.226 17.235 ( -0.000 -1.861 0.000) 1.861 17.581 ( -0.000 -2.984 0.000) 2.984 17.627 ( -0.000 -2.788 0.000) 2.788 27.693 ( -0.000 -0.675 0.000) 0.675 27.737 ( 0.000 2.040 -0.000) 2.040 27.791 ( -0.000 -1.822 0.000) 1.822 27.800 ( -0.000 -3.078 0.000) 3.078 28.684 ( 0.000 4.149 -0.000) 4.149 29.135 ( 0.000 5.390 -0.000) 5.390 29.216 ( 0.000 4.455 -0.000) 4.455 29.345 ( 0.000 3.250 -0.000) 3.250 29.659 ( 0.000 0.974 -0.000) 0.974 29.694 ( 0.000 3.392 -0.000) 3.392 29.935 ( -0.000 -5.303 0.000) 5.303 30.014 ( -0.000 -4.105 0.000) 4.105 30.731 ( -0.000 -15.278 0.000) 15.278 31.265 ( -0.000 -3.992 0.000) 3.992 31.480 ( 0.000 7.159 -0.000) 7.159 31.964 ( 0.000 8.541 -0.000) 8.541 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 6.637 -0.000 8.483) 10.771 1.637 ( 2.110 -0.000 -0.996) 2.334 1.736 ( 8.484 -0.000 6.289) 10.561 1.817 ( 0.770 -0.000 -3.172) 3.264 1.860 ( -1.136 0.000 -3.542) 3.720 1.883 ( -0.749 0.000 10.626) 10.652 2.134 ( -2.906 0.000 -11.484) 11.846 2.245 ( -0.681 0.000 1.198) 1.378 2.307 ( 4.058 -0.000 6.304) 7.497 2.327 ( 1.660 -0.000 -3.989) 4.321 2.467 ( -1.822 0.000 -7.348) 7.570 2.532 ( -3.177 0.000 0.626) 3.238 2.732 ( -6.339 0.000 5.853) 8.628 2.802 ( -4.865 0.000 1.182) 5.006 2.920 ( 2.757 -0.000 1.415) 3.099 2.949 ( 5.160 -0.000 -8.214) 9.700 3.025 ( -4.118 0.000 -0.221) 4.124 3.264 ( 4.426 -0.000 2.908) 5.296 3.542 ( -1.791 0.000 2.809) 3.331 3.546 ( 7.892 -0.000 5.537) 9.641 3.699 ( -7.643 0.000 1.212) 7.738 3.859 ( -1.375 0.000 -0.030) 1.376 3.861 ( 2.068 -0.000 0.198) 2.078 3.991 ( -3.145 0.000 -3.358) 4.601 4.054 ( -3.848 0.000 -1.687) 4.202 4.055 ( -1.062 0.000 0.158) 1.074 4.406 ( 0.979 -0.000 4.020) 4.138 4.550 ( 0.998 -0.000 -1.408) 1.726 4.767 ( 4.967 -0.000 -0.404) 4.983 4.865 ( -1.497 0.000 -3.750) 4.037 4.990 ( -1.465 0.000 -3.007) 3.345 5.006 ( 0.365 -0.000 1.747) 1.785 5.071 ( 0.197 -0.000 0.608) 0.639 5.285 ( -1.236 0.000 -0.615) 1.380 5.461 ( 1.514 -0.000 -1.580) 2.189 5.578 ( 0.816 -0.000 1.436) 1.652 5.641 ( -2.059 0.000 1.887) 2.793 6.017 ( 1.718 -0.000 -2.122) 2.730 6.159 ( -2.003 0.000 5.364) 5.726 6.301 ( 3.701 -0.000 -0.883) 3.805 6.762 ( -1.076 0.000 -1.512) 1.856 6.817 ( 4.810 -0.000 -0.711) 4.863 6.867 ( 10.510 -0.000 2.100) 10.717 7.023 ( -3.685 0.000 1.458) 3.963 7.037 ( -7.860 0.000 -2.165) 8.153 7.310 ( 3.531 -0.000 3.192) 4.760 7.518 ( -1.345 0.000 1.849) 2.287 7.607 ( -1.968 0.000 0.804) 2.125 8.256 ( -7.199 0.000 -6.560) 9.739 8.272 ( -3.726 0.000 -3.715) 5.261 8.642 ( 2.710 -0.000 1.108) 2.928 9.197 ( 1.311 -0.000 0.489) 1.400 9.544 ( -0.673 0.000 -0.842) 1.078 9.558 ( 5.970 -0.000 4.819) 7.672 9.819 ( -3.970 0.000 -2.120) 4.501 9.942 ( 0.297 -0.000 -0.296) 0.419 10.239 ( -1.020 0.000 0.405) 1.098 10.459 ( -0.982 0.000 -0.562) 1.131 10.498 ( 1.529 -0.000 -0.917) 1.783 10.728 ( -0.439 0.000 -0.265) 0.512 11.532 ( 0.172 -0.000 -0.423) 0.457 11.725 ( 0.164 -0.000 -1.112) 1.124 12.109 ( 0.167 -0.000 0.121) 0.206 12.127 ( 1.006 -0.000 1.279) 1.627 13.077 ( -0.408 0.000 0.020) 0.409 13.603 ( -0.350 0.000 3.332) 3.350 13.749 ( 0.823 -0.000 -2.692) 2.815 14.358 ( 0.388 -0.000 0.151) 0.416 15.928 ( -0.406 0.000 -0.679) 0.791 16.247 ( 2.593 -0.000 0.007) 2.593 16.317 ( -2.182 0.000 -0.322) 2.206 16.346 ( 0.619 -0.000 -0.097) 0.627 16.589 ( -0.582 0.000 -0.606) 0.840 16.611 ( 0.012 -0.000 0.316) 0.316 16.654 ( 0.334 -0.000 -0.078) 0.344 16.799 ( 0.522 -0.000 0.002) 0.522 17.196 ( 0.928 -0.000 0.566) 1.087 17.307 ( -0.101 0.000 0.213) 0.235 17.395 ( -0.467 0.000 0.051) 0.470 17.516 ( -0.519 0.000 -1.232) 1.337 27.662 ( 1.324 -0.000 1.707) 2.160 27.694 ( -0.609 0.000 2.953) 3.016 27.736 ( 0.390 -0.000 -3.067) 3.092 27.798 ( -1.111 0.000 -1.479) 1.849 29.160 ( -0.308 0.000 -0.066) 0.315 29.239 ( -0.095 0.000 -0.278) 0.294 29.320 ( 0.138 -0.000 0.444) 0.465 29.425 ( 2.468 -0.000 6.125) 6.603 29.512 ( -2.109 0.000 5.339) 5.741 29.625 ( 1.227 -0.000 2.010) 2.355 29.837 ( -0.791 0.000 1.148) 1.394 29.909 ( -1.531 0.000 -3.177) 3.527 30.306 ( 0.818 -0.000 -6.828) 6.876 31.143 ( 2.170 -0.000 -5.020) 5.468 31.540 ( -2.033 0.000 1.825) 2.732 32.393 ( 1.061 -0.000 -0.526) 1.184 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -0.000 -6.744 0.000) 6.744 1.734 ( -0.000 -13.672 0.000) 13.672 1.816 ( -0.000 -0.508 0.000) 0.508 1.842 ( -0.000 -3.643 0.000) 3.643 1.845 ( -0.000 -4.555 0.000) 4.555 1.967 ( -0.000 -4.861 0.000) 4.861 2.063 ( 0.000 0.957 -0.000) 0.957 2.191 ( 0.000 5.564 -0.000) 5.564 2.316 ( -0.000 -0.265 0.000) 0.265 2.376 ( 0.000 2.089 -0.000) 2.089 2.411 ( -0.000 -4.356 0.000) 4.356 2.647 ( -0.000 -9.105 0.000) 9.105 2.731 ( -0.000 -1.124 0.000) 1.124 2.793 ( -0.000 -1.850 0.000) 1.850 2.963 ( 0.000 3.283 -0.000) 3.283 3.021 ( -0.000 -9.413 0.000) 9.413 3.070 ( -0.000 -14.429 0.000) 14.429 3.285 ( 0.000 0.520 -0.000) 0.520 3.589 ( -0.000 -4.371 0.000) 4.371 3.607 ( 0.000 0.711 -0.000) 0.711 3.683 ( -0.000 -5.357 0.000) 5.357 3.887 ( -0.000 -4.221 0.000) 4.221 3.928 ( -0.000 -5.311 0.000) 5.311 3.981 ( -0.000 -2.023 0.000) 2.023 3.993 ( 0.000 0.497 -0.000) 0.497 4.185 ( -0.000 -11.305 0.000) 11.305 4.369 ( 0.000 5.928 -0.000) 5.928 4.550 ( -0.000 -0.017 0.000) 0.017 4.779 ( 0.000 1.597 -0.000) 1.597 4.812 ( 0.000 4.202 -0.000) 4.202 4.945 ( -0.000 -0.271 0.000) 0.271 5.028 ( 0.000 4.766 -0.000) 4.766 5.090 ( -0.000 -5.680 0.000) 5.680 5.272 ( 0.000 1.524 -0.000) 1.524 5.450 ( 0.000 0.501 -0.000) 0.501 5.549 ( 0.000 4.206 -0.000) 4.206 5.592 ( 0.000 6.267 -0.000) 6.267 5.985 ( 0.000 3.960 -0.000) 3.960 6.066 ( 0.000 3.943 -0.000) 3.943 6.487 ( -0.000 -12.955 0.000) 12.955 6.731 ( 0.000 3.049 -0.000) 3.049 6.824 ( 0.000 1.113 -0.000) 1.113 6.874 ( 0.000 7.145 -0.000) 7.145 6.934 ( 0.000 3.321 -0.000) 3.321 7.016 ( 0.000 0.685 -0.000) 0.685 7.312 ( 0.000 3.423 -0.000) 3.423 7.479 ( 0.000 4.684 -0.000) 4.684 7.558 ( 0.000 4.351 -0.000) 4.351 8.256 ( -0.000 -5.094 0.000) 5.094 8.281 ( -0.000 -3.607 0.000) 3.607 8.630 ( 0.000 2.698 -0.000) 2.698 9.129 ( 0.000 8.654 -0.000) 8.654 9.485 ( 0.000 6.346 -0.000) 6.346 9.513 ( 0.000 9.695 -0.000) 9.695 9.757 ( 0.000 4.319 -0.000) 4.319 9.878 ( 0.000 6.165 -0.000) 6.165 10.245 ( -0.000 -1.150 0.000) 1.150 10.465 ( -0.000 -1.391 0.000) 1.391 10.550 ( -0.000 -3.881 0.000) 3.881 10.742 ( -0.000 -1.773 0.000) 1.773 11.535 ( -0.000 -0.392 0.000) 0.392 11.721 ( 0.000 0.217 -0.000) 0.217 12.099 ( 0.000 1.247 -0.000) 1.247 12.135 ( -0.000 -0.004 0.000) 0.004 13.121 ( -0.000 -5.303 0.000) 5.303 13.610 ( -0.000 -0.023 0.000) 0.023 13.746 ( -0.000 -0.177 0.000) 0.177 14.332 ( 0.000 3.236 -0.000) 3.236 15.915 ( 0.000 1.101 -0.000) 1.101 16.206 ( 0.000 5.400 -0.000) 5.400 16.292 ( 0.000 1.439 -0.000) 1.439 16.346 ( 0.000 0.265 -0.000) 0.265 16.578 ( 0.000 0.639 -0.000) 0.639 16.623 ( -0.000 -1.252 0.000) 1.252 16.708 ( -0.000 -5.345 0.000) 5.345 16.811 ( -0.000 -1.195 0.000) 1.195 17.202 ( -0.000 -0.204 0.000) 0.204 17.281 ( 0.000 2.345 -0.000) 2.345 17.440 ( -0.000 -4.488 0.000) 4.488 17.531 ( -0.000 -2.216 0.000) 2.216 27.674 ( -0.000 -0.292 0.000) 0.292 27.714 ( -0.000 -1.670 0.000) 1.670 27.737 ( -0.000 -1.005 0.000) 1.005 27.783 ( 0.000 0.709 -0.000) 0.709 28.957 ( 0.000 12.620 -0.000) 12.620 29.294 ( 0.000 3.223 -0.000) 3.223 29.355 ( -0.000 -0.735 0.000) 0.735 29.436 ( 0.000 1.675 -0.000) 1.675 29.587 ( -0.000 -9.305 0.000) 9.305 29.646 ( -0.000 -1.135 0.000) 1.135 29.843 ( -0.000 -0.812 0.000) 0.812 29.910 ( -0.000 -1.798 0.000) 1.798 30.324 ( -0.000 -4.648 0.000) 4.648 31.159 ( -0.000 -2.248 0.000) 2.248 31.541 ( -0.000 -0.398 0.000) 0.398 32.324 ( 0.000 8.338 -0.000) 8.338 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -3.085 0.000 25.521) 25.706 0.477 ( -0.381 0.000 25.585) 25.588 0.924 ( 2.979 -0.000 47.851) 47.944 1.722 ( 4.520 -0.000 -6.382) 7.820 1.823 ( 0.910 -0.000 -0.208) 0.933 1.964 ( -2.790 0.000 -6.870) 7.415 2.001 ( -1.833 0.000 1.560) 2.407 2.152 ( 2.686 -0.000 -3.064) 4.074 2.255 ( 3.662 -0.000 8.566) 9.315 2.356 ( -3.352 0.000 -6.554) 7.361 2.565 ( -0.080 0.000 -4.002) 4.002 2.655 ( -1.761 0.000 -3.745) 4.138 2.695 ( 4.257 -0.000 -2.868) 5.133 2.805 ( 1.091 -0.000 -1.380) 1.760 3.172 ( -7.068 0.000 5.517) 8.967 3.181 ( -4.382 0.000 9.115) 10.114 3.323 ( -1.485 0.000 6.393) 6.563 3.364 ( 1.972 -0.000 4.659) 5.060 3.447 ( -9.002 0.000 -1.674) 9.156 3.644 ( -0.440 0.000 7.398) 7.411 3.690 ( 1.716 -0.000 -3.599) 3.988 3.828 ( -9.389 0.000 -0.191) 9.391 3.898 ( 5.839 -0.000 -1.759) 6.099 4.083 ( -1.453 0.000 4.183) 4.428 4.096 ( -0.651 0.000 -0.730) 0.979 4.146 ( 7.058 -0.000 -5.795) 9.132 4.367 ( 2.672 -0.000 -1.807) 3.225 4.616 ( 24.242 -0.000 3.351) 24.472 4.627 ( -0.406 0.000 8.760) 8.770 4.883 ( 3.817 -0.000 -5.579) 6.760 4.968 ( -0.075 0.000 -7.018) 7.019 5.057 ( 22.542 -0.000 3.388) 22.795 5.126 ( -1.902 0.000 -2.202) 2.909 5.362 ( -0.110 0.000 -12.460) 12.460 5.475 ( -8.844 0.000 1.632) 8.993 5.749 ( 3.444 -0.000 -3.176) 4.685 5.932 ( 0.683 -0.000 0.514) 0.855 5.957 ( -0.713 0.000 0.425) 0.830 6.049 ( 6.453 -0.000 -5.339) 8.376 6.148 ( -2.219 0.000 -3.132) 3.838 6.319 ( 1.133 -0.000 -1.457) 1.846 6.378 ( -6.550 0.000 -3.114) 7.252 6.497 ( -10.804 0.000 2.403) 11.068 6.769 ( -4.044 0.000 -2.252) 4.629 7.396 ( 1.776 -0.000 0.188) 1.786 7.467 ( 1.502 -0.000 0.006) 1.502 7.556 ( -0.161 0.000 6.103) 6.105 7.986 ( -19.103 0.000 -1.901) 19.197 8.350 ( 1.778 -0.000 8.858) 9.035 8.642 ( 5.089 -0.000 4.032) 6.493 9.041 ( 21.617 -0.000 -7.802) 22.982 9.147 ( 21.589 -0.000 -1.347) 21.631 9.373 ( 0.529 -0.000 0.097) 0.537 9.423 ( 0.494 -0.000 -0.074) 0.500 9.991 ( -0.248 0.000 -0.013) 0.249 9.999 ( -1.864 0.000 -0.556) 1.945 10.152 ( -35.010 0.000 1.608) 35.047 10.307 ( 1.143 -0.000 -1.184) 1.646 10.505 ( -0.780 0.000 2.260) 2.391 10.781 ( 1.406 -0.000 -2.355) 2.743 11.564 ( -1.791 0.000 -1.474) 2.320 11.723 ( 0.854 -0.000 -4.200) 4.286 11.850 ( 1.984 -0.000 3.754) 4.246 11.952 ( -0.396 0.000 2.204) 2.239 13.149 ( -1.889 0.000 1.770) 2.589 13.452 ( 5.210 -0.000 -4.392) 6.815 13.836 ( -5.305 0.000 5.395) 7.566 14.268 ( 2.050 -0.000 -2.849) 3.510 15.976 ( -0.437 0.000 0.229) 0.494 16.047 ( 16.879 -0.000 -1.103) 16.915 16.158 ( -1.019 0.000 1.127) 1.519 16.259 ( 0.290 -0.000 -0.606) 0.672 16.654 ( 0.845 -0.000 -0.593) 1.032 16.692 ( 1.165 -0.000 0.268) 1.196 16.721 ( -3.352 0.000 1.124) 3.535 16.814 ( -4.166 0.000 -2.684) 4.956 17.312 ( -9.675 0.000 1.525) 9.795 17.350 ( -8.625 0.000 3.082) 9.159 17.439 ( 0.573 -0.000 -0.004) 0.573 17.569 ( 0.559 -0.000 -1.952) 2.031 27.510 ( 0.315 -0.000 2.030) 2.054 27.668 ( 0.178 -0.000 2.325) 2.332 27.818 ( -0.587 0.000 -3.229) 3.282 27.924 ( -0.027 0.000 -1.758) 1.758 28.983 ( 1.633 -0.000 7.915) 8.082 29.207 ( 0.041 -0.000 2.027) 2.027 29.243 ( 0.751 -0.000 -0.855) 1.138 29.344 ( 1.545 -0.000 0.684) 1.690 29.408 ( -1.689 0.000 0.348) 1.725 29.852 ( -4.295 0.000 -2.653) 5.048 30.060 ( 0.349 -0.000 -2.410) 2.435 30.223 ( 11.312 -0.000 -7.324) 13.476 30.684 ( -12.331 0.000 1.643) 12.440 31.007 ( -0.956 0.000 -1.791) 2.030 31.376 ( 11.537 -0.000 6.219) 13.107 31.819 ( -0.734 0.000 -2.687) 2.786 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 3.133 -11.550 19.858) 23.185 0.804 ( 8.085 -15.626 20.186) 26.777 1.476 ( 10.054 -26.137 28.854) 40.209 1.750 ( 4.986 -2.201 -3.938) 6.724 1.886 ( 0.363 -4.253 -0.922) 4.367 1.987 ( -3.387 -10.573 -7.477) 13.385 2.049 ( -1.700 -6.620 1.628) 7.026 2.173 ( 4.609 -0.912 -1.633) 4.974 2.247 ( -2.640 1.861 -1.476) 3.551 2.389 ( -3.354 -0.531 -1.614) 3.760 2.477 ( 3.578 -1.663 4.681) 6.122 2.713 ( 0.927 -4.468 -9.420) 10.466 2.769 ( 3.108 -7.122 -3.526) 8.533 2.901 ( -1.030 -10.283 2.028) 10.531 2.993 ( -10.937 8.450 3.927) 14.369 3.257 ( -3.889 -3.386 6.345) 8.176 3.325 ( 3.369 1.343 1.403) 3.889 3.374 ( -8.827 1.558 5.539) 10.537 3.430 ( -1.664 -3.161 9.793) 10.424 3.603 ( 0.680 3.715 8.027) 8.872 3.739 ( -7.953 -5.959 -1.570) 10.061 3.824 ( -1.952 -4.566 1.159) 5.099 3.949 ( 1.570 -3.284 -1.137) 3.814 4.093 ( 7.122 1.430 -2.025) 7.541 4.102 ( -2.158 -0.717 1.601) 2.781 4.201 ( 8.405 -3.475 -4.888) 10.325 4.396 ( 3.031 -0.708 -1.389) 3.408 4.561 ( -3.726 7.084 3.968) 8.934 4.722 ( 2.555 -3.442 7.140) 8.328 4.888 ( -0.965 1.550 -7.829) 8.039 4.906 ( 3.511 3.911 -6.431) 8.305 5.092 ( -1.597 -0.603 -3.496) 3.891 5.165 ( 12.700 5.430 2.991) 14.132 5.230 ( -4.437 0.873 -12.871) 13.642 5.449 ( -1.232 2.140 0.670) 2.558 5.676 ( -6.166 4.054 -0.550) 7.400 5.788 ( 0.455 6.174 3.215) 6.976 5.946 ( -1.560 3.975 2.386) 4.892 6.084 ( 3.214 -0.523 -1.575) 3.618 6.127 ( 2.224 -0.402 -6.149) 6.552 6.355 ( 1.733 -0.625 -2.005) 2.723 6.488 ( 3.764 -6.700 -9.102) 11.912 6.553 ( 6.322 -7.762 2.344) 10.281 6.744 ( -3.645 -1.679 -2.786) 4.885 7.322 ( -2.372 8.203 0.101) 8.539 7.447 ( 0.017 4.456 0.226) 4.462 7.531 ( 2.152 5.620 10.678) 12.257 7.872 ( -15.989 -2.235 -1.519) 16.216 8.289 ( 1.005 11.944 8.630) 14.770 8.696 ( 7.101 2.248 4.764) 8.842 8.951 ( -5.070 2.625 -8.002) 9.830 9.070 ( 0.600 8.116 -2.012) 8.383 9.387 ( -5.539 1.465 0.543) 5.755 9.614 ( 15.832 0.445 -9.128) 18.281 9.824 ( -11.037 7.470 3.649) 13.818 9.910 ( 0.895 9.442 0.090) 9.485 10.088 ( -1.565 -2.876 3.148) 4.543 10.310 ( 0.797 1.250 1.145) 1.873 10.578 ( 0.548 -5.977 -1.304) 6.142 10.794 ( 0.491 -1.985 -2.564) 3.280 11.557 ( -0.701 -0.926 -1.393) 1.814 11.725 ( 0.920 -1.675 -3.889) 4.333 11.877 ( 3.257 1.301 3.889) 5.237 11.992 ( 2.976 -1.436 0.800) 3.400 13.182 ( -1.107 -4.723 1.038) 4.961 13.483 ( 4.928 -1.144 -3.726) 6.283 13.818 ( -4.812 0.133 4.828) 6.817 14.252 ( 2.362 2.544 -2.567) 4.318 15.967 ( -0.302 1.043 -0.134) 1.094 16.056 ( 7.618 6.556 -0.835) 10.085 16.154 ( -0.076 0.754 1.257) 1.468 16.291 ( 2.158 -1.040 -2.213) 3.261 16.652 ( 0.042 0.924 0.388) 1.004 16.682 ( -1.224 -1.435 -0.934) 2.105 16.711 ( 1.293 -0.453 1.403) 1.961 16.839 ( -3.885 -5.225 -2.690) 7.045 17.169 ( -6.093 4.204 9.111) 11.739 17.333 ( -1.261 -0.305 2.048) 2.425 17.537 ( -3.653 -6.393 -3.260) 8.052 17.574 ( 0.508 -1.170 -2.055) 2.419 27.539 ( 0.699 -1.572 2.547) 3.074 27.688 ( -0.199 -0.770 2.283) 2.418 27.796 ( -0.505 -0.014 -3.734) 3.768 27.909 ( -0.550 0.298 -2.155) 2.244 28.992 ( 2.250 6.334 7.458) 10.040 29.131 ( -1.879 5.859 1.597) 6.358 29.185 ( 2.498 3.711 0.715) 4.530 29.352 ( 3.343 -0.704 6.027) 6.928 29.443 ( -4.662 -0.280 0.792) 4.737 29.741 ( -2.167 3.425 1.318) 4.262 30.078 ( -6.840 -0.689 -4.920) 8.454 30.236 ( -6.673 -10.893 0.972) 12.811 30.701 ( -10.580 -12.013 -1.072) 16.044 30.977 ( 2.343 1.977 -2.399) 3.892 31.580 ( 27.308 6.083 -4.214) 28.293 31.768 ( -0.999 3.044 -2.879) 4.307 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 6.459 -13.627 13.816) 20.452 1.217 ( 10.411 -13.769 15.586) 23.257 1.805 ( 4.842 -2.933 -3.491) 6.651 1.856 ( 0.185 -3.986 1.334) 4.208 2.023 ( 2.636 -5.372 0.983) 6.064 2.112 ( -2.717 -4.998 -2.919) 6.394 2.195 ( -3.196 -10.654 4.496) 11.997 2.220 ( 3.464 -2.353 -1.882) 4.591 2.266 ( -2.352 -9.431 -4.173) 10.577 2.324 ( -1.481 -0.840 1.643) 2.367 2.658 ( 0.492 -5.630 6.705) 8.769 2.747 ( -0.384 -0.632 -3.088) 3.175 2.873 ( -1.889 -11.145 -0.043) 11.304 2.937 ( 2.222 -8.211 -2.340) 8.822 3.086 ( -1.585 -9.706 0.207) 9.837 3.188 ( -8.364 6.487 4.673) 11.570 3.310 ( 3.908 3.272 -0.595) 5.131 3.377 ( -1.999 -5.084 7.932) 9.631 3.520 ( -4.887 -4.011 11.578) 13.192 3.669 ( -1.501 -3.261 8.522) 9.247 3.797 ( -7.909 -9.680 -0.433) 12.508 3.941 ( 2.637 -10.304 -0.854) 10.671 4.027 ( 2.474 -4.408 0.417) 5.072 4.097 ( 4.072 1.170 -4.996) 6.551 4.130 ( -0.997 -2.693 3.247) 4.334 4.302 ( 5.638 -3.536 -6.258) 9.135 4.393 ( -0.421 0.981 -7.253) 7.331 4.473 ( -1.992 2.514 8.934) 9.493 4.738 ( -4.221 2.836 -9.978) 11.199 4.817 ( 2.586 0.563 2.726) 3.800 4.885 ( 0.902 -2.522 -5.701) 6.299 5.089 ( -1.219 -1.841 -2.778) 3.549 5.170 ( 4.729 2.019 0.282) 5.149 5.191 ( 1.168 -0.698 -1.004) 1.691 5.372 ( -1.751 3.632 -3.893) 5.605 5.588 ( -2.597 3.446 0.343) 4.329 5.700 ( -6.441 3.021 3.021) 7.729 5.847 ( -0.683 7.548 3.045) 8.168 6.113 ( 1.286 -2.776 -5.643) 6.419 6.188 ( 8.455 -3.321 0.113) 9.084 6.368 ( 4.082 0.979 -1.084) 4.336 6.528 ( 7.380 0.819 -10.424) 12.798 6.731 ( -3.921 -3.543 1.337) 5.452 6.748 ( 6.523 -3.978 2.053) 7.912 7.130 ( -3.842 10.947 -1.123) 11.655 7.331 ( 0.598 9.407 1.093) 9.489 7.476 ( 1.043 9.410 8.909) 13.000 7.753 ( -12.922 1.722 -2.999) 13.376 8.144 ( 2.733 10.027 7.966) 13.095 8.703 ( 5.539 4.597 -2.382) 7.581 8.857 ( -4.730 0.012 -4.124) 6.276 8.937 ( -1.782 6.010 -3.507) 7.183 9.278 ( -9.344 4.570 0.643) 10.422 9.501 ( -0.495 13.272 -1.219) 13.337 9.657 ( -0.330 9.340 -0.543) 9.361 9.770 ( 3.731 8.857 1.849) 9.787 10.138 ( 0.178 -2.146 0.833) 2.309 10.304 ( 0.642 1.468 3.535) 3.881 10.664 ( 3.077 -3.270 -1.224) 4.654 10.819 ( 0.180 -1.979 -3.106) 3.687 11.565 ( -0.255 -1.002 -0.368) 1.098 11.745 ( 0.491 -2.010 -3.804) 4.330 11.902 ( 3.798 1.366 4.095) 5.750 12.038 ( 2.204 -1.152 0.140) 2.491 13.287 ( -0.942 -8.089 0.348) 8.151 13.526 ( 3.815 -1.620 -2.672) 4.932 13.806 ( -3.594 -0.385 3.661) 5.145 14.197 ( 2.324 4.853 -2.326) 5.862 15.935 ( -0.003 2.111 -0.252) 2.126 16.009 ( 2.770 3.356 -0.996) 4.464 16.151 ( 0.013 0.138 1.487) 1.493 16.301 ( 1.325 0.140 -0.696) 1.503 16.643 ( -0.862 0.373 1.508) 1.777 16.681 ( -1.935 -0.503 -1.211) 2.337 16.770 ( 3.559 -3.286 -0.577) 4.878 16.877 ( -2.161 -3.888 -2.741) 5.225 17.142 ( -2.289 0.945 7.705) 8.093 17.333 ( -2.043 -0.066 1.435) 2.498 17.576 ( -2.597 -3.692 -2.539) 5.179 17.595 ( 0.706 -1.870 -1.693) 2.619 27.593 ( 1.013 -2.474 2.764) 3.845 27.709 ( -0.482 -0.579 2.445) 2.559 27.777 ( -0.168 -0.204 -3.513) 3.523 27.887 ( -0.901 0.210 -2.501) 2.667 28.916 ( 1.001 5.988 3.153) 6.841 29.065 ( -0.489 3.681 0.773) 3.793 29.142 ( 2.371 4.352 2.056) 5.366 29.375 ( -1.506 2.477 0.749) 2.994 29.429 ( 1.226 0.201 6.547) 6.664 29.728 ( -1.858 -0.776 6.119) 6.442 29.997 ( -4.763 1.220 -4.477) 6.650 30.390 ( -4.874 -11.899 -3.895) 13.436 30.837 ( -2.964 -8.878 2.044) 9.580 30.957 ( 0.641 -0.854 -4.588) 4.711 31.586 ( 11.305 6.921 -5.683) 14.422 31.709 ( 3.590 3.712 0.116) 5.166 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 5.532 -10.800 9.602) 15.474 1.557 ( 8.203 -10.034 10.745) 16.835 1.857 ( 1.939 -2.282 -1.476) 3.338 1.917 ( 0.755 -3.781 -2.432) 4.558 2.056 ( -1.065 -1.637 3.485) 3.995 2.140 ( 0.882 -0.121 -2.162) 2.338 2.192 ( -0.393 1.679 -3.547) 3.944 2.277 ( -4.399 -1.381 -0.854) 4.689 2.310 ( -1.867 -1.438 1.065) 2.586 2.454 ( -2.087 -7.243 -1.173) 7.629 2.676 ( -0.416 1.091 -0.310) 1.208 2.744 ( -3.142 -3.298 -1.801) 4.898 2.944 ( -1.877 5.008 -1.463) 5.545 3.121 ( 1.698 -7.016 -1.316) 7.338 3.176 ( 0.005 -6.370 5.979) 8.737 3.204 ( -2.376 -4.197 0.593) 4.860 3.347 ( 5.585 -5.579 1.581) 8.051 3.521 ( 1.173 -5.363 8.564) 10.173 3.604 ( -4.863 -4.464 9.693) 11.728 3.734 ( -1.991 -3.305 4.758) 6.126 3.849 ( -5.465 -2.331 -2.832) 6.581 4.031 ( -2.867 5.629 -4.643) 7.840 4.113 ( 2.217 -3.374 1.083) 4.180 4.172 ( 3.981 -12.228 0.471) 12.868 4.264 ( 1.783 -11.373 2.913) 11.874 4.326 ( 0.501 -1.714 -8.610) 8.793 4.368 ( 0.794 -4.225 -6.414) 7.722 4.484 ( -1.945 0.615 10.313) 10.513 4.710 ( 3.987 -3.892 -6.475) 8.542 4.822 ( -0.216 -0.570 2.415) 2.491 4.914 ( -1.195 -3.312 -6.122) 7.062 5.107 ( -1.126 -3.447 -3.535) 5.064 5.156 ( -3.174 2.959 -1.012) 4.455 5.229 ( 2.207 -3.940 1.860) 4.884 5.337 ( 3.488 -2.078 -4.724) 6.229 5.508 ( -3.399 3.471 1.631) 5.124 5.608 ( -3.701 5.237 3.286) 7.206 5.753 ( -2.758 3.780 2.929) 5.521 6.152 ( 2.960 -3.438 -6.907) 8.263 6.327 ( 7.171 -4.087 1.129) 8.331 6.374 ( 4.661 2.359 0.425) 5.242 6.498 ( 6.824 2.954 -8.535) 11.320 6.706 ( -2.046 2.543 2.484) 4.102 6.845 ( -4.270 2.089 2.653) 5.444 6.947 ( 5.312 4.560 -3.914) 8.021 7.178 ( -0.201 10.927 4.825) 11.946 7.329 ( 0.901 11.893 5.213) 13.017 7.582 ( -11.001 4.819 -3.691) 12.564 8.117 ( 4.815 1.277 7.470) 8.979 8.585 ( -0.780 9.173 -8.196) 12.326 8.798 ( -8.069 -2.568 -8.385) 11.917 8.856 ( 5.173 5.855 6.649) 10.259 9.115 ( -7.758 5.946 -1.128) 9.839 9.273 ( 0.314 11.719 0.837) 11.753 9.514 ( -1.049 5.661 -1.816) 6.037 9.690 ( 3.064 6.025 3.200) 7.479 10.171 ( 0.106 -1.443 0.512) 1.535 10.298 ( -0.678 1.655 3.841) 4.237 10.723 ( 3.053 -1.337 -0.574) 3.382 10.825 ( 0.320 -0.653 -3.391) 3.468 11.581 ( -0.382 -0.992 1.045) 1.490 11.756 ( -0.252 -1.414 -4.288) 4.522 11.931 ( 3.016 1.038 4.447) 5.473 12.064 ( 1.540 -0.414 -1.016) 1.890 13.417 ( -1.028 -7.757 0.039) 7.825 13.565 ( 2.213 -1.015 -0.955) 2.615 13.817 ( -1.784 -2.153 1.629) 3.236 14.108 ( 1.941 6.436 -2.089) 7.039 15.908 ( 0.267 1.017 -0.119) 1.058 15.974 ( 0.824 2.010 -1.279) 2.521 16.166 ( 0.366 -0.746 1.682) 1.876 16.307 ( 0.928 0.130 0.144) 0.948 16.635 ( -2.312 0.228 1.431) 2.729 16.667 ( -0.655 0.106 -0.174) 0.686 16.845 ( 2.933 -2.978 -1.957) 4.615 16.905 ( -0.033 -2.155 -2.928) 3.635 17.162 ( -1.197 -0.545 6.667) 6.796 17.315 ( -2.807 0.561 0.751) 2.960 17.602 ( -1.118 -2.340 -1.360) 2.928 17.625 ( 0.541 -1.876 -1.006) 2.196 27.656 ( 1.098 -2.311 2.476) 3.561 27.721 ( -0.616 -0.045 1.893) 1.991 27.766 ( 0.182 -0.150 -1.898) 1.912 27.867 ( -0.828 -0.359 -2.637) 2.787 28.845 ( -2.571 2.776 -1.168) 3.960 29.014 ( 3.995 4.030 1.481) 5.865 29.099 ( 1.083 4.249 3.528) 5.628 29.317 ( -1.193 2.137 -3.741) 4.471 29.456 ( 1.362 2.275 7.842) 8.278 29.783 ( -1.568 -2.857 7.963) 8.604 29.916 ( -2.722 2.526 -4.473) 5.814 30.493 ( -6.937 -9.969 -8.782) 14.988 30.881 ( 7.139 5.386 3.649) 9.659 31.038 ( -5.744 -11.480 -2.237) 13.031 31.520 ( 4.956 4.719 -6.777) 9.631 31.707 ( 4.672 1.763 3.774) 6.259 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.055 -2.718 4.882) 5.588 1.746 ( 3.548 -2.647 5.965) 7.428 1.902 ( -3.107 -2.261 -0.534) 3.880 1.992 ( 2.939 -4.173 -2.582) 5.720 2.060 ( -2.166 5.784 2.196) 6.555 2.134 ( 3.585 -3.420 0.161) 4.957 2.176 ( -4.020 5.084 0.649) 6.514 2.207 ( -0.799 -5.411 0.266) 5.476 2.363 ( 1.732 -2.828 -0.700) 3.389 2.442 ( -5.042 2.831 1.137) 5.893 2.670 ( 1.265 -1.055 -1.767) 2.416 2.814 ( -2.604 -6.938 1.862) 7.641 2.855 ( 2.040 5.258 -2.133) 6.029 3.185 ( -1.079 -3.825 -5.792) 7.024 3.209 ( 1.092 3.453 2.710) 4.523 3.238 ( 1.173 -0.185 0.745) 1.402 3.443 ( 1.940 1.585 -1.634) 2.990 3.599 ( -0.383 0.308 5.969) 5.990 3.657 ( -6.668 -1.846 1.510) 7.082 3.818 ( 2.275 2.437 1.414) 3.621 3.830 ( 1.967 -4.761 6.398) 8.214 3.858 ( -2.934 5.644 -3.289) 7.161 4.188 ( 0.635 -3.813 -0.152) 3.869 4.257 ( 0.778 4.379 -3.764) 5.826 4.371 ( -2.724 -6.651 -1.610) 7.365 4.442 ( 5.422 -2.284 -0.472) 5.902 4.479 ( 5.747 -5.971 2.520) 8.662 4.568 ( -4.001 -7.153 6.334) 10.358 4.771 ( 5.503 -0.444 -4.876) 7.366 4.850 ( -1.973 -0.521 2.743) 3.419 4.900 ( -5.387 -3.073 -2.275) 6.606 5.126 ( -0.469 -3.003 -2.000) 3.638 5.161 ( -1.608 -5.397 -4.065) 6.946 5.290 ( 2.428 0.783 -2.892) 3.857 5.409 ( 1.219 -4.611 -2.708) 5.485 5.455 ( -1.920 1.860 5.260) 5.900 5.527 ( -0.726 2.307 2.626) 3.570 5.688 ( -4.666 2.518 2.887) 6.037 6.207 ( 3.234 -4.271 -6.021) 8.060 6.327 ( -1.762 2.931 2.000) 3.961 6.403 ( 8.603 2.548 -7.009) 11.386 6.535 ( 5.020 -3.594 0.323) 6.182 6.636 ( 0.169 4.847 -0.308) 4.860 6.741 ( -5.118 1.431 -0.219) 5.319 6.965 ( 5.169 1.248 -3.847) 6.564 7.017 ( -2.765 8.632 8.221) 12.237 7.211 ( 2.670 4.846 0.666) 5.573 7.425 ( -6.836 3.123 -0.573) 7.538 8.226 ( 3.599 -3.360 4.128) 6.426 8.360 ( -4.280 7.235 -2.691) 8.826 8.760 ( -0.311 -0.880 -7.002) 7.064 8.856 ( -2.637 -2.733 1.592) 4.118 8.976 ( -1.681 4.524 -2.004) 5.226 9.160 ( 4.079 5.917 4.472) 8.465 9.449 ( -1.608 -0.065 -2.102) 2.647 9.645 ( 1.201 3.310 3.288) 4.818 10.194 ( -0.087 -1.124 0.212) 1.147 10.277 ( -1.450 1.899 3.645) 4.359 10.743 ( 0.297 -0.077 -1.832) 1.858 10.827 ( 1.588 -0.655 -2.142) 2.746 11.600 ( -0.800 -0.939 2.316) 2.624 11.747 ( -0.991 -0.827 -4.539) 4.718 11.958 ( 1.921 0.753 4.577) 5.021 12.063 ( 0.480 0.512 -2.620) 2.712 13.509 ( -1.034 -4.028 -0.038) 4.159 13.576 ( 0.969 1.279 0.389) 1.651 13.869 ( -0.074 -4.348 -0.353) 4.363 14.006 ( 1.165 5.600 -1.706) 5.969 15.903 ( -0.286 -0.150 -0.115) 0.343 15.950 ( 1.231 0.921 -0.646) 1.667 16.191 ( -0.136 -0.773 1.963) 2.114 16.308 ( 0.234 0.375 0.077) 0.448 16.610 ( -2.290 0.614 -0.174) 2.377 16.670 ( 0.333 0.092 1.600) 1.637 16.885 ( 1.595 -0.863 -3.473) 3.918 16.922 ( 1.855 -0.807 -1.919) 2.788 17.193 ( -1.876 -0.610 4.778) 5.169 17.288 ( -2.333 0.130 1.529) 2.792 17.621 ( -0.320 -1.279 -0.732) 1.508 17.653 ( 0.589 -1.227 0.058) 1.362 27.695 ( 0.311 -0.020 1.214) 1.254 27.714 ( -0.530 0.831 -0.012) 0.986 27.776 ( 0.694 -1.094 1.629) 2.081 27.863 ( -0.085 -1.039 -2.288) 2.514 28.775 ( -4.488 0.407 -3.817) 5.905 29.012 ( 5.109 2.368 1.497) 5.827 29.061 ( 1.716 3.311 4.839) 6.109 29.249 ( -0.087 2.304 -6.864) 7.241 29.460 ( 1.049 2.609 7.378) 7.896 29.815 ( -5.226 2.701 0.286) 5.890 29.872 ( 1.096 -2.928 2.904) 4.268 30.532 ( -7.340 -7.841 -12.133) 16.204 30.878 ( 7.834 5.117 7.444) 11.957 31.150 ( -4.576 -7.008 0.159) 8.371 31.450 ( 1.441 1.743 -9.185) 9.460 31.753 ( 3.929 0.384 6.635) 7.720 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -7.808 7.190 2.133) 10.826 1.724 ( -7.886 13.253 0.156) 15.423 1.855 ( 1.796 -1.723 1.587) 2.951 1.976 ( -2.304 2.483 -3.507) 4.876 2.001 ( -0.058 1.416 1.417) 2.004 2.164 ( 0.975 0.498 3.591) 3.755 2.223 ( 3.064 -3.132 -0.003) 4.381 2.310 ( 1.070 -6.367 -5.352) 8.386 2.407 ( 0.618 -2.422 8.735) 9.086 2.438 ( -0.170 -2.447 1.729) 3.001 2.671 ( -0.051 1.370 0.302) 1.404 2.768 ( 3.051 6.313 -1.765) 7.231 2.902 ( 0.629 -2.613 0.779) 2.799 3.133 ( -1.155 6.236 3.614) 7.300 3.198 ( 2.128 -0.882 -6.692) 7.077 3.241 ( 0.059 1.211 0.152) 1.222 3.376 ( -1.313 2.987 -2.694) 4.232 3.549 ( -2.282 6.398 1.263) 6.909 3.583 ( -3.323 4.041 2.666) 5.872 3.751 ( -0.431 3.988 -4.387) 5.944 3.847 ( 7.185 2.567 1.702) 7.817 3.945 ( 5.793 -0.090 5.418) 7.932 4.127 ( 0.510 4.919 -3.580) 6.106 4.284 ( -2.161 -2.751 -1.946) 4.003 4.363 ( -2.711 9.153 -3.206) 10.070 4.420 ( 1.569 1.359 1.981) 2.869 4.524 ( -0.686 3.165 5.691) 6.548 4.651 ( -1.367 -2.808 0.977) 3.272 4.805 ( 2.664 1.281 1.294) 3.227 4.820 ( 1.298 1.157 1.706) 2.436 4.970 ( -3.961 -7.182 -1.019) 8.265 5.074 ( -1.234 7.885 -6.423) 10.245 5.209 ( -0.926 0.781 0.533) 1.323 5.237 ( 3.799 1.271 -0.139) 4.008 5.419 ( 1.863 2.987 -0.806) 3.612 5.493 ( -0.294 -3.945 0.068) 3.956 5.553 ( -4.697 -6.097 2.431) 8.071 5.650 ( 0.126 1.216 2.761) 3.019 6.276 ( 0.123 -3.862 -3.691) 5.343 6.315 ( -2.918 -3.324 1.096) 4.557 6.375 ( 5.454 4.133 -6.086) 9.158 6.511 ( 0.129 3.895 0.768) 3.972 6.673 ( -3.359 -2.558 -3.045) 5.206 6.728 ( 3.727 -5.469 -1.060) 6.703 6.939 ( -5.037 -3.595 5.425) 8.230 7.030 ( 4.041 -3.739 -1.133) 5.620 7.212 ( 0.486 -0.907 2.758) 2.944 7.373 ( 1.896 -0.386 -2.277) 2.988 8.118 ( -7.656 4.711 -0.209) 8.992 8.486 ( 4.199 -11.937 1.140) 12.705 8.765 ( 0.403 -2.920 -1.724) 3.415 8.924 ( -2.737 -8.075 -3.966) 9.403 8.938 ( 4.130 0.296 -0.520) 4.173 9.157 ( 5.098 2.338 5.534) 7.880 9.461 ( -1.462 -4.061 -2.353) 4.916 9.637 ( -0.894 -0.442 3.410) 3.553 10.208 ( -0.024 -0.632 -0.534) 0.828 10.253 ( -2.525 1.147 4.138) 4.982 10.725 ( -1.693 -0.129 -2.768) 3.247 10.845 ( 2.081 -0.318 -1.393) 2.524 11.619 ( -1.798 -0.890 2.654) 3.327 11.729 ( -1.079 -0.642 -3.551) 3.766 11.977 ( 0.715 1.197 4.384) 4.600 12.031 ( -0.572 0.970 -4.139) 4.290 13.519 ( 0.579 3.839 0.875) 3.979 13.548 ( -0.139 1.299 -1.283) 1.831 13.886 ( 0.136 2.876 0.477) 2.918 13.999 ( 0.325 -5.735 -2.047) 6.098 15.901 ( -0.765 -0.395 -0.232) 0.892 15.960 ( 1.955 -0.450 -0.204) 2.016 16.201 ( -1.604 0.119 2.371) 2.865 16.300 ( -0.326 0.363 -0.292) 0.569 16.587 ( -0.467 0.385 -0.699) 0.924 16.678 ( 0.386 0.297 1.552) 1.626 16.866 ( 1.675 2.123 -4.028) 4.851 16.944 ( 1.862 -0.569 -0.729) 2.079 17.180 ( -4.232 0.955 2.646) 5.082 17.303 ( -0.382 -1.268 3.236) 3.496 17.630 ( -0.009 -0.319 -0.859) 0.916 17.675 ( 0.782 -0.368 1.196) 1.475 27.665 ( -0.813 2.784 0.039) 2.900 27.705 ( 0.041 0.564 0.222) 0.607 27.815 ( 0.853 -1.131 1.989) 2.442 27.876 ( 0.744 -1.307 -1.335) 2.011 28.733 ( -4.063 -2.020 -4.237) 6.209 29.001 ( 0.345 1.704 1.180) 2.101 29.091 ( 6.216 0.427 4.495) 7.683 29.177 ( 1.199 2.105 -8.109) 8.463 29.466 ( 1.470 2.202 7.704) 8.146 29.721 ( -5.782 2.103 -1.711) 6.386 29.952 ( 2.314 -2.245 4.202) 5.297 30.516 ( -5.353 -3.846 -13.395) 14.929 30.891 ( 3.809 5.024 9.124) 11.090 31.196 ( -5.286 -3.083 1.220) 6.240 31.418 ( 1.921 -2.559 -9.569) 10.090 31.807 ( 1.673 0.018 7.058) 7.253 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -12.289 12.315 2.814) 17.624 1.363 ( -9.980 19.346 -1.158) 21.799 1.830 ( -0.314 4.990 -0.388) 5.015 1.954 ( 1.642 -1.130 0.504) 2.056 2.024 ( -0.817 -1.273 -0.380) 1.559 2.110 ( -3.048 3.873 -0.706) 4.979 2.268 ( 2.067 2.148 2.448) 3.857 2.351 ( 0.344 -0.435 -4.327) 4.362 2.444 ( -0.052 6.000 1.390) 6.159 2.488 ( 0.365 2.014 7.698) 7.965 2.633 ( -1.380 2.978 2.237) 3.972 2.725 ( 6.416 0.359 -0.635) 6.457 2.920 ( 3.497 1.007 -0.638) 3.695 3.044 ( -0.183 7.262 6.217) 9.561 3.171 ( -0.914 6.018 -1.301) 6.225 3.188 ( 0.980 0.823 -3.103) 3.357 3.313 ( -5.868 2.483 0.451) 6.388 3.419 ( 1.474 7.244 0.404) 7.403 3.511 ( 0.577 5.430 4.704) 7.207 3.650 ( 2.653 5.490 -3.389) 6.976 3.806 ( 3.590 8.579 -0.536) 9.316 3.967 ( 3.695 4.226 1.430) 5.793 4.068 ( 1.910 5.535 -7.706) 9.678 4.093 ( 3.234 7.317 -2.986) 8.539 4.290 ( -4.233 4.804 5.035) 8.145 4.406 ( 2.897 3.939 -2.659) 5.565 4.488 ( -7.191 -2.695 4.286) 8.795 4.613 ( -3.426 7.385 1.086) 8.214 4.751 ( -2.218 3.260 1.599) 4.255 4.834 ( -3.578 9.441 -0.704) 10.121 4.887 ( 6.570 -1.683 -0.090) 6.783 5.042 ( -0.038 -3.255 -5.706) 6.569 5.191 ( 0.286 1.325 1.026) 1.700 5.256 ( 4.755 1.696 -1.874) 5.385 5.395 ( -1.750 -2.778 0.024) 3.284 5.570 ( 1.438 -3.211 1.687) 3.902 5.645 ( 4.060 -0.969 1.846) 4.564 5.672 ( -2.635 -7.154 0.357) 7.632 6.255 ( 0.123 4.874 -2.022) 5.278 6.331 ( -7.816 -5.060 -4.786) 10.469 6.363 ( -1.606 -2.102 1.280) 2.939 6.485 ( 3.778 0.360 -2.122) 4.348 6.686 ( -0.825 -1.126 -1.438) 2.004 6.834 ( -0.214 -4.480 1.281) 4.664 7.056 ( -3.224 -8.570 1.615) 9.298 7.147 ( 0.806 -8.372 -1.652) 8.571 7.251 ( -4.784 -4.848 7.556) 10.173 7.478 ( 14.289 -6.255 -4.103) 16.128 8.042 ( -6.583 -2.007 1.199) 6.986 8.686 ( 2.773 -6.951 -3.292) 8.176 8.865 ( 0.431 -6.753 7.425) 10.046 8.955 ( 1.525 -3.289 -10.447) 11.058 9.073 ( 6.237 -7.530 1.616) 9.911 9.218 ( 2.412 -3.974 2.249) 5.164 9.538 ( -0.889 -8.030 -2.345) 8.413 9.689 ( -3.106 -5.997 3.699) 7.700 10.206 ( -0.640 0.228 -0.279) 0.735 10.248 ( -3.694 -1.162 4.563) 5.984 10.700 ( -2.054 -0.286 -2.462) 3.219 10.849 ( 2.065 0.925 -1.848) 2.921 11.620 ( -3.133 -0.596 0.655) 3.256 11.726 ( -0.482 -0.959 -0.277) 1.108 11.950 ( -1.289 2.732 -1.033) 3.193 12.006 ( -0.378 0.245 -0.053) 0.453 13.419 ( 0.783 8.272 0.448) 8.321 13.514 ( 1.484 2.483 -2.803) 4.028 13.855 ( -1.977 0.716 2.808) 3.508 14.099 ( 0.728 -6.338 -2.501) 6.852 15.906 ( -0.309 -0.908 -0.316) 1.010 15.981 ( 1.008 -0.675 -0.737) 1.420 16.186 ( -2.755 0.728 2.492) 3.785 16.294 ( -0.338 -0.218 -0.443) 0.598 16.587 ( 1.348 -0.300 -0.709) 1.552 16.680 ( 0.545 0.563 0.778) 1.104 16.810 ( 1.372 3.793 -3.037) 5.049 16.959 ( 1.510 0.187 -0.344) 1.560 17.141 ( -4.789 0.755 3.413) 5.929 17.334 ( -0.272 -0.622 2.901) 2.979 17.623 ( 0.149 0.595 -1.246) 1.389 17.689 ( 1.014 0.483 1.669) 2.012 27.607 ( -0.915 3.284 0.317) 3.424 27.694 ( 0.446 0.976 0.297) 1.113 27.837 ( 0.208 -0.413 0.266) 0.533 27.903 ( 1.141 -1.168 -0.283) 1.658 28.741 ( -2.529 -4.326 -2.903) 5.791 28.983 ( -0.667 0.913 0.284) 1.166 29.135 ( 3.773 0.589 -6.216) 7.295 29.171 ( 5.275 -1.804 3.573) 6.622 29.476 ( 1.103 3.373 8.370) 9.091 29.653 ( -5.345 -0.760 -0.821) 5.461 30.015 ( 6.051 0.755 2.336) 6.530 30.446 ( -2.208 1.482 -10.618) 10.946 30.838 ( -3.560 4.787 3.411) 6.872 31.180 ( -6.663 -0.182 0.792) 6.712 31.488 ( 4.747 -6.574 -5.189) 9.627 31.842 ( -2.569 -0.958 5.147) 5.832 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -10.548 19.714 0.103) 22.359 0.972 ( -13.996 17.365 8.889) 24.009 1.762 ( 0.618 2.907 -1.618) 3.384 1.819 ( -9.909 24.345 7.073) 27.219 1.973 ( 2.441 3.837 -5.997) 7.526 2.069 ( -1.255 1.115 0.671) 1.807 2.162 ( -0.662 9.632 5.629) 11.175 2.275 ( 0.883 9.136 -1.137) 9.249 2.333 ( 0.195 -0.714 -0.616) 0.963 2.416 ( -1.976 7.085 2.187) 7.673 2.586 ( 1.331 5.304 2.584) 6.048 2.784 ( 6.343 0.405 -5.856) 8.642 2.863 ( 3.442 8.108 0.765) 8.841 2.987 ( 2.286 7.223 1.752) 7.776 3.093 ( -4.422 -2.259 -0.814) 5.032 3.183 ( 3.326 -0.874 5.140) 6.184 3.218 ( -4.557 1.907 5.581) 7.453 3.388 ( 3.834 0.727 1.165) 4.073 3.441 ( -2.643 4.464 2.597) 5.801 3.590 ( -0.488 10.639 6.248) 12.348 3.692 ( 8.261 2.122 -4.498) 9.643 3.859 ( -2.301 4.808 -4.636) 7.065 3.936 ( 7.471 8.865 0.380) 11.600 4.114 ( 5.913 -0.051 -5.024) 7.759 4.213 ( -1.084 2.439 1.156) 2.909 4.292 ( -7.921 5.723 2.469) 10.079 4.423 ( -2.836 9.132 -1.238) 9.642 4.500 ( -4.558 0.490 -0.351) 4.598 4.659 ( -2.836 2.301 2.477) 4.412 4.780 ( 0.951 -0.569 0.250) 1.136 4.952 ( 3.800 -0.051 -0.659) 3.858 5.046 ( 0.889 -1.245 -6.255) 6.439 5.173 ( -0.536 1.188 -0.249) 1.327 5.256 ( 6.556 0.222 -4.714) 8.078 5.469 ( -3.068 -6.110 1.867) 7.087 5.645 ( 5.563 -0.913 0.861) 5.703 5.691 ( -2.945 -5.903 0.587) 6.623 5.803 ( 3.289 -5.817 0.243) 6.686 6.163 ( -2.425 3.659 -0.944) 4.490 6.298 ( -7.646 -0.792 -3.392) 8.403 6.382 ( -1.767 -1.284 -0.041) 2.184 6.542 ( 3.181 -5.206 -6.280) 8.756 6.631 ( -0.978 6.214 -0.471) 6.308 6.874 ( -5.554 -1.799 3.602) 6.860 7.157 ( -1.358 -7.217 2.249) 7.681 7.296 ( 1.079 -7.632 0.710) 7.740 7.369 ( -2.588 -7.679 2.837) 8.586 7.737 ( 16.836 -9.373 2.071) 19.380 8.081 ( -2.912 -5.928 2.226) 6.970 8.740 ( 5.622 1.330 -1.257) 5.913 8.849 ( -5.941 2.509 -10.116) 11.997 9.094 ( 4.340 -6.657 3.719) 8.773 9.236 ( 5.788 -5.140 0.405) 7.751 9.351 ( 1.601 -9.292 -2.139) 9.669 9.697 ( 0.216 -12.257 -1.253) 12.323 9.818 ( -3.844 -10.324 2.832) 11.374 10.197 ( -4.025 -1.263 1.404) 4.446 10.275 ( -4.073 -3.066 4.564) 6.843 10.674 ( -1.867 0.371 -2.159) 2.878 10.829 ( 2.625 2.412 -2.308) 4.247 11.601 ( -3.065 -0.349 -0.811) 3.190 11.743 ( -0.379 -0.857 1.499) 1.767 11.882 ( -1.271 2.478 -2.914) 4.031 11.998 ( -1.920 0.305 1.530) 2.474 13.285 ( 0.476 8.111 0.545) 8.143 13.471 ( 3.319 2.672 -4.017) 5.856 13.850 ( -3.799 -0.463 4.549) 5.945 14.187 ( 1.162 -4.742 -2.747) 5.602 15.920 ( -0.186 -1.177 -0.701) 1.383 15.988 ( -0.263 -0.302 -1.059) 1.132 16.166 ( -2.746 0.232 2.034) 3.425 16.296 ( 0.096 -0.313 -0.908) 0.965 16.608 ( 2.040 -0.858 -0.547) 2.280 16.677 ( 1.164 0.821 0.037) 1.425 16.745 ( 0.154 3.262 -0.854) 3.375 16.953 ( 0.915 1.530 -0.967) 2.028 17.124 ( -4.849 -1.156 5.694) 7.568 17.344 ( -0.769 0.428 2.264) 2.429 17.602 ( 0.395 1.182 -1.628) 2.050 17.689 ( 1.182 1.361 0.593) 1.898 27.551 ( -0.662 2.924 0.905) 3.132 27.684 ( 0.717 1.075 0.411) 1.356 27.840 ( -0.205 -0.299 -1.044) 1.105 27.923 ( 0.780 -0.544 -0.694) 1.177 28.810 ( -0.716 -6.398 -0.046) 6.439 28.968 ( 0.708 0.859 1.696) 2.029 29.154 ( 3.035 -1.970 -3.380) 4.951 29.263 ( 3.815 -2.687 1.503) 4.903 29.441 ( -0.066 5.372 9.017) 10.496 29.673 ( -2.584 -4.886 1.448) 5.713 30.036 ( 14.050 7.008 -0.740) 15.719 30.336 ( 1.308 6.628 -4.156) 7.932 30.737 ( -8.345 1.369 -1.410) 8.573 31.114 ( -5.514 1.834 -0.876) 5.877 31.622 ( 2.111 -7.274 -2.916) 8.116 31.843 ( -9.620 -3.184 0.328) 10.139 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -2.700 18.857 13.034) 23.082 0.646 ( -14.733 15.731 18.031) 28.100 1.189 ( -12.974 39.934 25.761) 49.261 1.731 ( 2.560 1.312 -4.343) 5.209 1.880 ( 4.084 6.451 -4.047) 8.642 2.029 ( -0.832 2.688 1.619) 3.246 2.098 ( -3.884 6.438 1.184) 7.612 2.150 ( 2.541 2.452 -4.106) 5.416 2.235 ( -0.834 5.437 3.009) 6.270 2.422 ( 3.129 -1.538 -1.733) 3.894 2.514 ( -5.787 -0.565 -3.497) 6.785 2.727 ( 6.742 6.250 -5.498) 10.712 2.769 ( 0.506 4.906 -2.251) 5.422 2.881 ( 1.858 8.232 -0.053) 8.439 3.124 ( -10.468 -6.603 5.813) 13.674 3.223 ( 3.495 -3.327 3.388) 5.897 3.259 ( -0.272 6.819 4.550) 8.202 3.376 ( -1.158 3.306 5.050) 6.146 3.448 ( -2.246 -3.155 1.414) 4.122 3.464 ( 1.992 -2.985 12.668) 13.166 3.791 ( 6.718 -0.833 -1.790) 7.002 3.817 ( 6.552 -1.543 2.554) 7.200 3.888 ( 7.041 3.687 -1.010) 8.012 4.036 ( -2.034 5.397 -5.815) 8.190 4.160 ( -6.448 2.886 5.209) 8.777 4.192 ( -5.252 2.388 -2.894) 6.455 4.330 ( 12.429 4.280 4.580) 13.921 4.418 ( 1.750 4.877 -0.216) 5.186 4.635 ( -2.177 2.453 7.451) 8.141 4.842 ( 2.431 -5.452 -3.190) 6.768 4.949 ( -0.146 -0.081 -2.166) 2.172 5.030 ( 2.457 2.056 -5.354) 6.239 5.148 ( -1.248 0.340 -1.051) 1.666 5.318 ( 9.151 -2.148 -4.831) 10.568 5.527 ( -9.555 -5.388 -0.360) 10.975 5.704 ( 6.221 -1.190 0.536) 6.357 5.770 ( -4.939 -6.126 1.403) 7.993 5.913 ( 3.780 -3.987 0.305) 5.503 6.104 ( -1.764 0.295 -2.580) 3.139 6.214 ( -4.932 2.203 -4.291) 6.898 6.367 ( 0.218 1.951 -1.885) 2.721 6.499 ( -0.822 7.562 0.489) 7.623 6.598 ( -4.776 -4.598 -9.014) 11.189 6.845 ( -6.645 1.091 0.212) 6.737 7.313 ( 1.619 -8.448 2.760) 9.034 7.405 ( 1.483 -3.421 5.532) 6.671 7.461 ( -1.741 -4.777 1.695) 5.359 8.010 ( 11.999 -5.302 2.210) 13.303 8.210 ( 0.159 -8.722 5.096) 10.103 8.669 ( -4.881 5.248 -10.620) 12.812 8.769 ( 17.498 4.475 2.899) 18.292 9.163 ( -4.347 -0.917 0.895) 4.532 9.360 ( 6.803 -2.760 -0.297) 7.347 9.459 ( 3.398 -0.996 -3.494) 4.975 9.897 ( 0.307 -10.719 -0.783) 10.752 9.953 ( -1.887 -6.214 0.474) 6.511 10.214 ( -11.061 -7.357 1.942) 13.425 10.323 ( -6.453 -4.513 3.559) 8.641 10.619 ( -2.551 3.835 -4.245) 6.264 10.796 ( 2.578 2.323 -2.494) 4.274 11.582 ( -1.813 -0.302 -0.725) 1.976 11.747 ( 0.150 0.662 -1.888) 2.007 11.837 ( -0.383 0.911 0.067) 0.990 11.978 ( -4.747 -0.039 1.471) 4.970 13.183 ( -0.707 4.261 1.575) 4.597 13.446 ( 4.636 1.506 -4.562) 6.677 13.847 ( -4.928 -0.399 5.332) 7.272 14.245 ( 1.672 -2.581 -2.794) 4.155 15.937 ( 1.995 -0.862 0.703) 2.284 15.981 ( -0.506 0.111 -0.188) 0.551 16.158 ( -1.913 -0.491 1.458) 2.455 16.286 ( 0.839 1.326 -1.877) 2.446 16.640 ( 1.524 -1.348 -0.387) 2.071 16.674 ( 1.102 0.304 0.060) 1.145 16.712 ( -1.427 0.092 1.508) 2.078 16.906 ( -0.371 3.581 -2.892) 4.618 17.184 ( -5.760 -8.170 8.754) 13.288 17.334 ( -1.226 0.707 1.798) 2.288 17.578 ( 0.709 1.122 -2.084) 2.471 17.645 ( -0.391 4.960 -4.761) 6.886 27.514 ( -0.194 1.693 1.605) 2.341 27.673 ( 0.605 1.258 0.592) 1.516 27.834 ( -0.454 -0.192 -2.220) 2.275 27.927 ( 0.329 -0.204 -1.372) 1.425 28.917 ( -0.158 -4.113 3.478) 5.389 29.042 ( 4.206 -7.934 7.989) 12.019 29.201 ( -0.405 -3.572 -0.812) 3.686 29.287 ( -0.167 1.757 0.737) 1.913 29.446 ( 2.530 0.913 8.109) 8.543 29.767 ( -2.368 -7.797 0.963) 8.206 30.026 ( 29.399 12.536 1.529) 31.997 30.216 ( 6.797 10.283 -0.454) 12.334 30.679 ( -3.504 -1.499 0.297) 3.823 31.039 ( -4.229 1.306 -2.193) 4.940 31.633 ( -25.236 -2.991 -11.013) 27.697 31.814 ( -3.929 -2.818 -2.867) 5.621 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 11.048 -0.000 19.292) 22.232 0.806 ( 10.102 -0.000 22.181) 24.373 1.546 ( 17.923 -0.000 29.870) 34.834 1.753 ( 5.757 -0.000 -5.079) 7.678 1.780 ( -4.357 0.000 -2.781) 5.169 1.890 ( 1.942 -0.000 -4.405) 4.815 1.971 ( -2.470 0.000 -1.243) 2.765 2.206 ( 5.467 -0.000 0.169) 5.470 2.222 ( -4.371 0.000 -4.639) 6.374 2.382 ( 1.733 -0.000 5.874) 6.125 2.502 ( -0.684 0.000 -8.367) 8.394 2.654 ( 2.705 -0.000 5.065) 5.742 2.707 ( 5.256 -0.000 -10.789) 12.001 2.793 ( -4.494 0.000 4.681) 6.489 3.079 ( -7.876 0.000 1.897) 8.101 3.141 ( -10.584 0.000 8.261) 13.427 3.318 ( -5.384 0.000 3.273) 6.301 3.374 ( -2.928 0.000 7.819) 8.350 3.455 ( -3.455 0.000 12.631) 13.095 3.559 ( -13.249 0.000 -2.708) 13.523 3.719 ( 3.834 -0.000 -5.116) 6.393 3.777 ( 3.928 -0.000 7.772) 8.708 3.936 ( -1.132 0.000 0.874) 1.430 4.083 ( 0.778 -0.000 -4.959) 5.020 4.123 ( 2.950 -0.000 2.782) 4.055 4.254 ( 12.606 -0.000 -6.113) 14.010 4.418 ( 3.868 -0.000 -1.254) 4.066 4.581 ( -10.835 0.000 5.676) 12.232 4.761 ( 5.638 -0.000 6.376) 8.511 4.830 ( -9.826 0.000 -12.395) 15.818 4.933 ( 4.654 -0.000 -4.873) 6.739 5.004 ( -6.329 0.000 -9.201) 11.168 5.102 ( -4.346 0.000 -6.917) 8.169 5.370 ( 10.490 -0.000 -3.343) 11.010 5.455 ( -2.048 0.000 -1.071) 2.311 5.654 ( -5.917 0.000 -4.337) 7.336 5.900 ( -7.331 0.000 1.400) 7.464 5.951 ( -0.054 0.000 0.701) 0.703 6.113 ( 2.551 -0.000 -3.915) 4.673 6.167 ( 9.616 -0.000 1.594) 9.747 6.361 ( 3.700 -0.000 1.346) 3.937 6.391 ( 10.258 -0.000 -4.133) 11.059 6.568 ( 10.872 -0.000 3.578) 11.446 6.701 ( 1.461 -0.000 -6.886) 7.039 7.369 ( -4.065 0.000 -1.301) 4.268 7.490 ( 0.961 -0.000 0.535) 1.100 7.653 ( 1.596 -0.000 9.350) 9.485 7.717 ( -16.846 0.000 7.061) 18.266 8.447 ( 0.152 -0.000 6.955) 6.957 8.821 ( -12.875 0.000 -10.213) 16.433 8.824 ( 8.912 -0.000 8.845) 12.556 9.136 ( -19.213 0.000 -0.063) 19.213 9.376 ( -0.384 0.000 0.645) 0.751 9.591 ( 7.338 -0.000 -12.032) 14.093 9.864 ( 1.745 -0.000 -0.040) 1.745 9.980 ( -1.228 0.000 -0.206) 1.246 10.134 ( 10.635 -0.000 -0.199) 10.637 10.319 ( 0.334 -0.000 0.757) 0.827 10.513 ( -0.838 0.000 1.971) 2.142 10.768 ( 0.049 -0.000 -2.338) 2.338 11.533 ( -0.607 0.000 -0.728) 0.948 11.701 ( 1.555 -0.000 -4.159) 4.440 11.941 ( 4.115 -0.000 4.164) 5.854 12.012 ( 4.601 -0.000 -1.329) 4.789 13.136 ( -1.733 0.000 1.224) 2.122 13.497 ( 5.287 -0.000 -3.724) 6.467 13.805 ( -4.845 0.000 5.213) 7.116 14.281 ( 2.732 -0.000 -2.513) 3.712 15.970 ( -0.427 0.000 -0.369) 0.565 16.144 ( 1.036 -0.000 -1.377) 1.724 16.240 ( 10.553 -0.000 -7.668) 13.045 16.268 ( 1.534 -0.000 -0.597) 1.646 16.653 ( -0.245 0.000 -1.045) 1.073 16.669 ( -3.375 0.000 0.902) 3.494 16.718 ( -1.494 0.000 0.858) 1.723 16.729 ( -2.147 0.000 1.810) 2.808 17.199 ( -7.325 0.000 8.988) 11.595 17.336 ( -1.725 0.000 2.359) 2.923 17.442 ( -0.357 0.000 0.179) 0.399 17.556 ( 0.396 -0.000 -2.522) 2.553 27.546 ( 1.202 -0.000 2.978) 3.211 27.694 ( -0.329 0.000 3.257) 3.273 27.772 ( -0.439 0.000 -4.251) 4.273 27.894 ( -1.016 0.000 -2.480) 2.680 29.113 ( 3.288 -0.000 9.533) 10.084 29.218 ( -1.069 0.000 2.470) 2.692 29.244 ( 0.370 -0.000 -0.795) 0.877 29.366 ( -2.599 0.000 -0.922) 2.758 29.418 ( 4.329 -0.000 4.261) 6.075 29.723 ( -8.980 0.000 2.736) 9.388 30.032 ( -0.500 0.000 -3.171) 3.210 30.036 ( -13.010 0.000 6.302) 14.455 30.470 ( -9.052 0.000 -0.599) 9.071 30.993 ( 2.348 -0.000 -4.134) 4.754 31.751 ( -3.324 0.000 -3.502) 4.828 31.909 ( 30.811 -0.000 -11.020) 32.723 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 13.785 -7.237 14.553) 21.312 1.154 ( 11.808 -14.703 17.441) 25.687 1.776 ( 4.375 -1.804 -4.045) 6.225 1.828 ( 4.075 -3.292 1.590) 5.474 1.858 ( -3.562 -12.291 -3.017) 13.147 1.960 ( 5.879 -9.563 10.678) 15.493 2.007 ( -0.484 -6.273 -5.307) 8.231 2.173 ( -2.311 -0.146 0.888) 2.480 2.248 ( 4.738 0.772 -2.078) 5.231 2.353 ( -0.888 3.212 -0.148) 3.336 2.551 ( 0.066 -7.396 -5.918) 9.473 2.702 ( 4.995 -4.668 0.615) 6.864 2.808 ( 6.586 -6.482 2.733) 9.637 2.861 ( -5.258 -5.531 -0.487) 7.647 2.884 ( -7.299 3.935 5.229) 9.803 3.229 ( -5.354 -2.191 4.128) 7.107 3.267 ( -10.076 -1.438 4.509) 11.132 3.391 ( -2.112 0.281 6.339) 6.687 3.442 ( -14.644 -5.868 8.011) 17.694 3.560 ( 1.257 -3.634 6.762) 7.779 3.731 ( 2.389 -0.283 0.483) 2.453 3.852 ( 1.783 -2.611 1.896) 3.686 3.950 ( -0.933 -3.824 -1.890) 4.366 4.085 ( 1.091 -2.298 -5.679) 6.223 4.159 ( 2.500 0.409 3.139) 4.034 4.311 ( 9.352 1.850 -6.374) 11.467 4.403 ( 0.850 2.601 -3.620) 4.538 4.527 ( -5.331 1.573 10.968) 12.296 4.645 ( -11.693 0.272 -13.220) 17.652 4.831 ( 2.257 -0.098 -3.436) 4.112 4.884 ( 4.215 1.460 -0.971) 4.566 5.033 ( 0.081 -2.390 -4.551) 5.141 5.078 ( -1.286 -5.063 -5.223) 7.387 5.342 ( 1.399 6.540 1.242) 6.802 5.412 ( 0.880 3.367 -4.371) 5.587 5.578 ( -4.320 0.413 -1.766) 4.685 5.766 ( -6.527 7.374 3.890) 10.588 5.952 ( 0.096 2.692 1.589) 3.127 6.076 ( 1.540 1.264 -2.781) 3.421 6.248 ( 9.873 0.211 2.398) 10.162 6.414 ( 6.587 -0.335 0.235) 6.600 6.515 ( 7.100 -4.282 -4.544) 9.455 6.683 ( 2.709 -0.259 -5.362) 6.013 6.743 ( 12.373 -5.201 1.581) 13.514 7.248 ( -5.951 8.089 -0.678) 10.065 7.459 ( 0.464 4.648 0.374) 4.687 7.625 ( -8.878 1.864 7.661) 11.874 7.674 ( -4.981 2.872 5.328) 7.839 8.377 ( 1.185 10.333 5.865) 11.941 8.686 ( -11.721 -2.107 -9.810) 15.429 8.835 ( -3.083 6.680 -0.072) 7.358 9.029 ( -0.071 -1.086 3.108) 3.293 9.291 ( -4.317 7.063 1.121) 8.354 9.579 ( -3.392 2.212 -4.851) 6.319 9.824 ( 3.120 7.417 -1.817) 8.249 9.922 ( -0.561 5.793 0.234) 5.825 10.164 ( 7.745 2.413 -1.534) 8.256 10.344 ( 0.374 0.128 3.154) 3.179 10.587 ( 1.173 -6.865 -0.849) 7.016 10.770 ( -0.204 -1.685 -2.417) 2.954 11.539 ( -0.340 -1.196 -0.246) 1.268 11.706 ( 1.400 -1.217 -3.768) 4.200 11.981 ( 4.471 1.452 3.394) 5.798 12.044 ( 3.346 -0.617 -0.862) 3.510 13.169 ( -1.616 -4.899 0.858) 5.229 13.526 ( 4.745 -0.682 -3.630) 6.013 13.794 ( -4.164 -0.009 5.118) 6.598 14.269 ( 2.760 2.695 -2.400) 4.543 15.955 ( -0.686 0.995 -0.859) 1.483 16.115 ( 2.933 4.634 -2.440) 6.002 16.191 ( 3.578 3.893 -0.210) 5.292 16.308 ( 2.236 -0.481 -1.661) 2.827 16.633 ( -2.536 -0.047 -0.581) 2.602 16.659 ( -0.035 -0.325 0.045) 0.330 16.755 ( -1.021 -3.696 0.226) 3.841 16.761 ( -0.495 -3.647 0.439) 3.707 17.181 ( -3.124 1.330 8.144) 8.823 17.328 ( -1.706 0.430 1.541) 2.339 17.479 ( -1.671 -4.133 -0.757) 4.522 17.559 ( 0.207 -1.574 -2.365) 2.849 27.585 ( 1.505 -1.420 3.219) 3.827 27.711 ( -0.609 -0.381 3.456) 3.530 27.751 ( -0.068 -0.395 -4.261) 4.280 27.869 ( -1.293 0.267 -2.714) 3.018 29.046 ( -2.703 10.417 -0.189) 10.764 29.159 ( 4.154 2.920 7.321) 8.910 29.249 ( 1.933 3.952 3.063) 5.361 29.381 ( -2.388 -0.499 -0.937) 2.613 29.484 ( 4.126 -0.960 7.528) 8.638 29.720 ( -2.632 -2.274 1.757) 3.897 29.932 ( -7.121 -0.404 0.656) 7.162 30.147 ( -4.093 -10.375 -4.539) 12.042 30.512 ( -9.901 -12.516 0.752) 15.977 30.987 ( 3.617 0.651 -5.351) 6.492 31.691 ( -2.239 2.015 -2.076) 3.659 31.954 ( 20.620 11.313 -6.523) 24.407 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 12.684 -8.243 10.333) 18.319 1.535 ( 10.799 -10.033 13.147) 19.752 1.809 ( 2.052 -2.759 -3.871) 5.177 1.866 ( -1.362 -1.942 -3.865) 4.535 1.997 ( -0.356 -5.780 2.282) 6.225 2.102 ( 1.450 -6.100 -3.159) 7.021 2.178 ( -0.276 -4.780 -2.803) 5.548 2.217 ( 1.641 -0.616 -3.922) 4.296 2.249 ( -1.034 -7.448 2.776) 8.015 2.331 ( -1.819 0.117 5.549) 5.840 2.607 ( -2.383 -4.389 -8.513) 9.870 2.738 ( -1.610 2.799 0.719) 3.308 2.912 ( 4.616 -13.587 -2.006) 14.489 2.938 ( -1.700 -5.726 -4.654) 7.572 3.027 ( -8.976 -3.242 3.893) 10.307 3.189 ( 2.108 -4.163 11.388) 12.307 3.314 ( -1.584 -5.231 0.333) 5.476 3.459 ( -1.018 -6.789 10.945) 12.919 3.504 ( -9.104 -5.985 8.117) 13.586 3.710 ( -0.812 -6.969 7.122) 9.997 3.745 ( -0.029 -1.095 3.721) 3.879 3.958 ( 1.414 -8.654 -0.705) 8.797 4.038 ( -1.792 -5.987 -1.204) 6.365 4.093 ( 2.334 -2.995 -7.669) 8.557 4.196 ( 2.388 -0.614 5.015) 5.589 4.277 ( 0.881 -0.656 -10.963) 11.018 4.303 ( -0.617 5.952 -5.294) 7.990 4.532 ( -3.830 0.087 10.309) 10.997 4.619 ( 1.441 -6.004 -3.952) 7.331 4.816 ( 0.499 -2.387 -7.755) 8.129 4.896 ( 4.050 3.631 1.447) 5.628 5.020 ( -1.166 -1.965 -6.139) 6.550 5.166 ( 1.273 -5.644 -2.150) 6.172 5.224 ( -4.046 6.756 1.665) 8.048 5.344 ( 3.556 2.966 -5.446) 7.148 5.540 ( -3.609 1.750 0.220) 4.017 5.635 ( -5.919 3.543 4.260) 8.108 5.868 ( 0.499 7.703 2.303) 8.056 6.087 ( 1.257 -2.421 -4.085) 4.912 6.357 ( 9.372 -1.772 2.853) 9.956 6.463 ( 7.727 1.654 0.694) 7.932 6.559 ( 7.612 2.034 -8.317) 11.456 6.697 ( 0.333 -1.662 -0.129) 1.700 6.897 ( 5.952 0.163 3.578) 6.947 7.048 ( -2.933 7.935 -1.713) 8.631 7.361 ( 0.224 8.020 2.288) 8.343 7.537 ( -9.777 3.311 2.868) 10.713 7.550 ( -4.325 9.855 3.648) 11.364 8.262 ( 3.367 7.535 5.935) 10.166 8.617 ( -8.957 -4.692 -8.248) 13.049 8.667 ( -3.905 6.304 -8.871) 11.562 9.075 ( 8.210 8.233 7.301) 13.729 9.120 ( -9.495 4.136 1.772) 10.507 9.420 ( -3.938 9.144 -2.820) 10.348 9.662 ( 0.882 11.318 -2.170) 11.558 9.819 ( 0.164 6.225 1.255) 6.352 10.188 ( 4.907 0.600 -0.315) 4.953 10.346 ( 0.363 1.695 4.044) 4.400 10.688 ( 0.773 -4.336 -1.631) 4.697 10.788 ( -0.105 -1.864 -2.747) 3.321 11.559 ( -0.570 -1.469 0.792) 1.763 11.717 ( 0.639 -1.029 -3.668) 3.863 12.000 ( 3.373 1.730 2.723) 4.667 12.072 ( 2.576 -0.109 -0.676) 2.666 13.272 ( -1.318 -8.146 0.347) 8.259 13.557 ( 3.469 -1.167 -3.251) 4.896 13.792 ( -2.967 -0.496 4.313) 5.259 14.212 ( 2.365 5.179 -2.283) 6.134 15.924 ( -0.741 1.292 -0.924) 1.753 16.042 ( 2.795 4.948 -1.320) 5.835 16.183 ( 2.179 0.827 1.139) 2.594 16.319 ( 1.248 0.162 -0.075) 1.261 16.614 ( -2.498 -0.276 -0.741) 2.620 16.665 ( -0.278 -0.317 1.134) 1.210 16.810 ( 1.015 -2.936 -0.539) 3.153 16.829 ( -0.263 -4.705 -1.596) 4.975 17.186 ( -1.235 0.515 6.913) 7.042 17.305 ( -2.486 0.780 0.214) 2.614 17.534 ( -1.013 -4.020 -0.577) 4.186 17.586 ( 0.132 -2.478 -1.403) 2.851 27.643 ( 1.488 -2.066 2.929) 3.881 27.724 ( -0.782 -0.128 2.086) 2.232 27.749 ( 0.600 -1.105 -1.952) 2.322 27.841 ( -1.412 0.068 -2.958) 3.278 28.878 ( -3.795 6.379 -1.827) 7.644 29.149 ( 5.259 5.526 2.276) 7.960 29.212 ( 1.965 4.677 6.134) 7.960 29.336 ( -0.588 2.649 -2.320) 3.570 29.550 ( 2.868 1.447 7.728) 8.369 29.760 ( -1.165 -2.664 5.488) 6.211 29.895 ( -4.017 0.201 -2.841) 4.925 30.234 ( -6.687 -9.154 -8.831) 14.370 30.692 ( -10.558 -17.319 0.937) 20.305 30.985 ( 5.863 0.866 -4.243) 7.289 31.638 ( 0.447 3.469 -0.128) 3.500 31.873 ( 13.394 10.677 -1.963) 17.241 ======================= Grid point 98 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 8.675 -3.293 6.338) 11.237 1.764 ( 6.001 -3.508 7.586) 10.289 1.851 ( -2.090 -1.558 -0.259) 2.620 1.903 ( 4.380 -7.015 -5.401) 9.878 2.089 ( 1.655 -3.443 -2.780) 4.724 2.116 ( -2.811 1.461 -2.841) 4.255 2.168 ( 1.792 0.686 2.127) 2.865 2.226 ( -4.192 1.490 4.512) 6.336 2.326 ( 1.717 -1.575 2.293) 3.269 2.402 ( -2.636 -5.250 -1.996) 6.204 2.579 ( -3.949 -3.318 -7.354) 8.983 2.744 ( -1.188 -1.977 5.622) 6.077 2.910 ( -1.346 1.979 -2.193) 3.246 3.042 ( -5.406 -7.050 -3.542) 9.564 3.159 ( 1.419 -10.861 -1.076) 11.006 3.288 ( 0.799 0.706 6.226) 6.317 3.437 ( 3.016 -5.551 0.273) 6.323 3.531 ( -8.197 -3.055 3.094) 9.279 3.623 ( -0.140 -3.723 4.475) 5.823 3.793 ( 1.679 -4.599 6.612) 8.227 3.885 ( 4.625 -3.583 9.825) 11.435 3.944 ( -1.598 7.254 -1.192) 7.523 4.128 ( 0.267 -4.508 -3.197) 5.533 4.172 ( -2.308 -7.425 -3.804) 8.656 4.246 ( -0.267 -2.797 -10.832) 11.190 4.314 ( 2.443 -12.315 0.994) 12.594 4.357 ( 3.172 -11.297 0.152) 11.735 4.560 ( -0.734 0.379 8.884) 8.923 4.733 ( 2.040 -5.787 -0.746) 6.181 4.814 ( -0.679 0.525 -4.150) 4.237 4.882 ( 0.245 0.139 1.486) 1.513 5.037 ( -1.206 -4.068 -3.914) 5.772 5.100 ( -1.214 3.112 -1.714) 3.755 5.249 ( 1.521 -4.273 -2.318) 5.094 5.329 ( 1.183 -2.215 -5.503) 6.048 5.477 ( -3.664 1.958 2.992) 5.120 5.580 ( -3.810 2.044 1.800) 4.683 5.758 ( 0.233 6.849 3.676) 7.777 6.125 ( 1.404 -3.652 -5.700) 6.914 6.410 ( 4.469 4.545 -0.541) 6.397 6.490 ( 6.198 3.271 -2.855) 7.568 6.551 ( 7.982 -0.438 -1.494) 8.132 6.720 ( 1.039 1.047 2.792) 3.157 6.777 ( -3.183 8.468 -1.996) 9.264 7.028 ( 4.780 2.252 0.505) 5.309 7.210 ( -2.805 11.623 5.464) 13.146 7.348 ( -5.642 9.179 0.899) 10.811 7.414 ( -5.168 3.871 0.558) 6.481 8.260 ( 4.924 0.553 5.489) 7.394 8.472 ( -2.880 9.843 -5.910) 11.836 8.615 ( -4.093 -5.951 -9.116) 11.630 8.890 ( -8.236 7.986 3.466) 11.984 9.075 ( 2.826 6.682 2.048) 7.539 9.275 ( -0.303 4.427 0.887) 4.526 9.497 ( 1.238 7.344 -1.823) 7.667 9.733 ( -0.364 4.946 1.799) 5.275 10.210 ( 3.047 0.826 0.676) 3.229 10.337 ( 1.675 2.704 3.669) 4.856 10.715 ( -2.269 -1.043 -2.740) 3.707 10.808 ( 0.866 -1.703 -1.869) 2.673 11.583 ( -1.143 -1.355 1.891) 2.592 11.713 ( 0.028 -0.414 -3.299) 3.325 12.009 ( 1.991 1.165 2.362) 3.302 12.075 ( 1.637 1.259 -1.606) 2.616 13.400 ( -1.042 -7.713 -0.017) 7.783 13.586 ( 1.852 -1.024 -1.655) 2.687 13.810 ( -1.311 -2.116 2.240) 3.349 14.117 ( 1.684 6.828 -2.097) 7.339 15.898 ( -0.785 0.467 -0.625) 1.107 15.994 ( 2.451 2.813 -0.490) 3.763 16.198 ( 1.371 0.100 1.623) 2.127 16.320 ( 0.488 0.566 0.178) 0.768 16.595 ( -1.940 -0.052 -0.718) 2.070 16.677 ( -0.271 -0.367 2.126) 2.175 16.855 ( 1.240 -2.189 -2.445) 3.508 16.889 ( 0.619 -3.266 -1.882) 3.820 17.203 ( -1.028 0.411 4.869) 4.993 17.275 ( -2.644 0.069 1.110) 2.868 17.583 ( -0.251 -2.702 -0.463) 2.753 17.625 ( 0.224 -2.461 -0.206) 2.480 27.692 ( 0.438 -1.261 1.368) 1.911 27.727 ( 0.193 0.503 0.542) 0.764 27.772 ( 0.530 -1.145 1.777) 2.179 27.825 ( -0.882 -1.326 -3.120) 3.503 28.754 ( -3.997 3.498 -2.624) 5.924 29.100 ( 3.105 4.251 -1.706) 5.534 29.180 ( 2.455 5.088 7.020) 9.011 29.276 ( 1.598 3.255 -3.549) 5.074 29.567 ( 2.842 3.126 7.580) 8.678 29.816 ( -5.567 2.264 0.427) 6.025 29.843 ( 1.200 -3.127 2.485) 4.170 30.266 ( -8.618 -8.241 -10.934) 16.179 30.890 ( -9.012 -14.849 0.069) 17.370 31.024 ( 8.777 0.131 0.370) 8.786 31.548 ( 2.475 8.398 -2.462) 9.095 31.836 ( 6.284 3.386 2.391) 7.528 ======================= Grid point 99 (39/140) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.502 6.869 3.128) 7.696 1.823 ( -3.228 4.657 -0.280) 5.673 1.873 ( 4.377 -2.241 1.414) 5.116 1.976 ( 0.712 1.766 -1.245) 2.275 2.078 ( 1.039 4.397 -0.716) 4.575 2.108 ( -0.477 -6.285 -5.911) 8.641 2.170 ( -1.208 -2.528 4.337) 5.163 2.236 ( -2.969 -1.432 3.607) 4.886 2.389 ( 0.834 -2.762 1.505) 3.254 2.410 ( 1.513 -2.837 1.636) 3.608 2.620 ( -3.672 -4.872 -2.535) 6.606 2.833 ( 1.124 -4.126 4.404) 6.139 2.866 ( -0.021 1.091 -0.629) 1.260 3.101 ( -2.307 -5.006 -2.777) 6.172 3.239 ( -0.334 2.281 1.351) 2.672 3.281 ( 1.202 1.514 1.754) 2.610 3.403 ( -2.498 4.016 -4.012) 6.201 3.583 ( 0.591 -0.247 0.575) 0.861 3.648 ( -1.945 0.333 3.506) 4.023 3.787 ( -0.310 3.904 -0.962) 4.032 3.967 ( 8.216 -2.022 1.601) 8.611 3.986 ( 5.321 1.130 7.807) 9.516 4.148 ( -1.778 -3.641 -0.541) 4.088 4.182 ( -1.061 0.374 -11.746) 11.799 4.341 ( -0.861 -9.979 0.528) 10.030 4.467 ( 0.565 -0.986 -1.950) 2.257 4.566 ( -4.017 2.021 7.324) 8.594 4.589 ( 1.604 -6.419 2.875) 7.214 4.789 ( -4.887 -6.896 -0.488) 8.466 4.825 ( 4.731 -1.347 -2.252) 5.410 4.869 ( -0.030 0.535 3.610) 3.649 5.082 ( -1.367 -2.814 -2.979) 4.320 5.137 ( 3.335 -5.453 -2.797) 6.977 5.302 ( -0.845 -1.291 0.097) 1.546 5.390 ( 0.524 -6.419 -2.433) 6.885 5.426 ( -2.645 1.955 -0.282) 3.302 5.504 ( -3.535 3.875 -0.300) 5.254 5.712 ( 1.488 1.995 5.329) 5.882 6.170 ( -1.052 -4.171 -4.813) 6.456 6.330 ( 0.564 4.446 1.050) 4.603 6.459 ( 6.203 2.816 -6.386) 9.338 6.592 ( 1.339 4.763 -1.849) 5.282 6.668 ( 2.213 3.080 1.685) 4.150 6.704 ( 3.830 0.735 -1.812) 4.300 6.949 ( -4.661 6.375 1.746) 8.088 7.050 ( -0.387 5.298 1.058) 5.417 7.237 ( -4.790 1.567 5.913) 7.769 7.361 ( 1.979 -0.407 -2.745) 3.409 8.204 ( -5.014 11.715 0.099) 12.743 8.386 ( 3.890 -4.730 2.125) 6.482 8.656 ( 0.033 -6.732 -9.676) 11.788 8.799 ( -6.021 -1.557 3.424) 7.100 9.003 ( 4.048 3.950 0.576) 5.685 9.242 ( -0.573 1.328 2.250) 2.675 9.427 ( 1.783 2.135 -1.060) 2.977 9.668 ( -1.303 3.202 2.064) 4.026 10.217 ( 1.250 0.722 1.064) 1.793 10.316 ( 2.745 3.994 3.007) 5.704 10.684 ( -3.699 -0.464 -3.029) 4.803 10.834 ( 0.935 -1.422 -1.490) 2.262 11.599 ( -2.048 -0.842 1.733) 2.812 11.706 ( 0.180 -0.269 -1.323) 1.362 12.015 ( 0.797 0.424 0.240) 0.934 12.042 ( 0.596 2.681 -1.054) 2.942 13.494 ( -0.708 -4.317 -0.148) 4.377 13.592 ( 0.593 1.409 0.190) 1.540 13.870 ( 0.412 -4.809 -0.147) 4.829 14.003 ( 0.656 6.458 -1.674) 6.704 15.889 ( -0.730 -0.243 -0.206) 0.797 15.981 ( 2.411 1.006 -0.432) 2.648 16.208 ( -0.341 0.446 2.139) 2.211 16.309 ( -0.089 0.925 -0.042) 0.930 16.582 ( -0.554 -0.090 -0.540) 0.779 16.689 ( -0.412 -0.084 2.096) 2.137 16.875 ( 1.856 -0.421 -3.698) 4.159 16.929 ( 0.991 -2.007 -1.741) 2.836 17.184 ( -2.972 1.687 2.283) 4.110 17.290 ( -1.104 -1.641 3.749) 4.239 17.613 ( 0.151 -1.311 -0.769) 1.528 17.665 ( 0.272 -1.818 0.585) 1.929 27.703 ( -0.396 1.876 -0.204) 1.929 27.707 ( -0.185 0.117 0.805) 0.834 27.811 ( 0.675 -1.299 1.532) 2.119 27.842 ( 0.331 -2.371 -1.473) 2.811 28.677 ( -3.001 0.789 -2.262) 3.840 29.044 ( 0.442 2.915 -2.152) 3.650 29.157 ( 1.151 2.559 3.364) 4.381 29.224 ( 4.453 3.648 -2.888) 6.440 29.579 ( 3.730 3.004 8.320) 9.600 29.709 ( -5.381 3.339 -2.877) 6.955 29.944 ( 2.477 -3.787 6.622) 8.021 30.268 ( -9.605 -7.657 -12.378) 17.439 31.021 ( -4.487 -7.093 0.603) 8.415 31.112 ( 7.827 0.510 5.438) 9.545 31.403 ( 0.668 5.998 -7.035) 9.269 31.856 ( 1.801 0.743 3.802) 4.272 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -3.301 13.612 4.280) 14.645 1.603 ( -4.512 16.065 -0.494) 16.694 1.917 ( -0.355 4.350 -2.424) 4.992 1.936 ( 2.480 -0.784 -0.653) 2.682 2.008 ( -0.603 0.827 0.641) 1.208 2.124 ( -4.779 1.248 3.144) 5.855 2.265 ( 0.881 -7.390 -2.909) 7.991 2.306 ( 3.849 -2.263 -0.379) 4.481 2.444 ( -1.540 -2.554 2.279) 3.753 2.520 ( 2.313 -4.949 6.080) 8.173 2.631 ( -2.478 -0.251 -0.856) 2.634 2.806 ( 1.373 2.923 -0.779) 3.323 2.947 ( 2.312 -1.530 3.402) 4.389 3.122 ( -3.036 -0.132 2.106) 3.698 3.189 ( -1.376 2.341 -0.078) 2.717 3.240 ( -0.571 3.441 0.452) 3.518 3.313 ( 0.210 3.112 -3.717) 4.852 3.539 ( 0.997 4.783 0.215) 4.890 3.629 ( -0.178 3.723 4.767) 6.051 3.742 ( 4.719 3.884 -2.476) 6.594 3.983 ( 4.945 7.023 2.952) 9.082 4.013 ( -0.382 1.177 -4.237) 4.414 4.097 ( 3.103 1.134 -6.182) 7.009 4.271 ( 1.122 -6.439 3.036) 7.207 4.293 ( 0.261 12.511 -3.079) 12.887 4.453 ( 1.224 0.423 -2.188) 2.542 4.508 ( -9.219 3.948 7.750) 12.674 4.630 ( -1.497 -0.388 -0.281) 1.572 4.821 ( -3.901 3.482 5.251) 7.411 4.891 ( 4.305 -1.251 -1.530) 4.737 4.929 ( 0.312 -4.679 0.540) 4.721 5.013 ( 1.072 8.160 -2.605) 8.633 5.211 ( 1.077 -1.021 -2.117) 2.585 5.295 ( 1.540 0.314 3.050) 3.431 5.352 ( -4.153 2.333 -4.605) 6.625 5.467 ( -2.521 -5.246 -2.937) 6.520 5.529 ( 0.885 -8.586 2.165) 8.899 5.725 ( 2.410 2.314 3.917) 5.149 6.179 ( -2.973 -2.521 -4.724) 6.124 6.329 ( -0.138 -0.636 2.174) 2.269 6.382 ( 1.477 7.748 -2.937) 8.417 6.525 ( 2.112 1.169 -5.485) 5.993 6.632 ( 1.569 -0.953 -0.690) 1.961 6.774 ( 2.210 -3.429 -1.801) 4.460 6.910 ( -2.463 -5.798 2.702) 6.854 7.041 ( -0.510 -3.222 0.339) 3.280 7.200 ( -8.941 -0.097 6.559) 11.089 7.465 ( 13.154 -6.012 -3.783) 14.949 8.013 ( -6.950 4.776 3.612) 9.174 8.545 ( 3.153 -9.749 -0.459) 10.257 8.744 ( -0.847 -9.193 -10.685) 14.121 8.833 ( -1.746 -3.662 4.862) 6.332 9.043 ( 6.744 -2.834 0.975) 7.380 9.229 ( -2.288 -0.195 0.983) 2.498 9.436 ( 1.271 -2.341 -1.108) 2.885 9.632 ( -3.247 0.166 2.927) 4.374 10.221 ( 0.088 0.047 1.364) 1.367 10.276 ( 1.393 4.444 2.653) 5.360 10.658 ( -2.715 -1.138 -2.181) 3.664 10.852 ( 1.002 -0.749 -1.996) 2.356 11.594 ( -2.371 -0.161 0.471) 2.423 11.717 ( 0.383 -0.551 1.802) 1.923 11.972 ( -0.703 2.532 -5.008) 5.655 12.026 ( 0.567 1.143 2.949) 3.213 13.529 ( 0.261 -0.315 -0.243) 0.476 13.543 ( 0.144 5.055 0.218) 5.062 13.894 ( 0.279 4.105 0.191) 4.119 13.983 ( 0.339 -6.532 -1.894) 6.809 15.892 ( -0.330 -0.655 0.011) 0.734 15.985 ( 1.704 0.295 -1.110) 2.055 16.197 ( -1.988 1.171 2.570) 3.454 16.293 ( -0.157 0.618 -0.186) 0.664 16.587 ( 0.922 -0.499 -0.311) 1.093 16.694 ( -0.380 0.179 1.658) 1.710 16.859 ( 2.306 2.111 -4.074) 5.136 16.956 ( 1.024 -1.191 -1.430) 2.124 17.141 ( -3.801 1.558 3.273) 5.253 17.327 ( -0.876 -1.435 3.285) 3.691 17.623 ( 0.434 -0.188 -1.035) 1.138 17.692 ( 0.012 -0.923 0.366) 0.994 27.657 ( -0.571 3.013 0.541) 3.114 27.708 ( -0.054 0.241 0.438) 0.503 27.828 ( -0.089 -0.644 -1.163) 1.332 27.884 ( 0.892 -1.886 0.286) 2.106 28.663 ( -1.114 -2.063 -0.762) 2.465 28.998 ( -0.623 1.367 -1.041) 1.827 29.141 ( 1.325 0.963 -1.648) 2.323 29.213 ( 4.364 1.059 0.443) 4.513 29.598 ( -3.434 4.337 5.208) 7.598 29.613 ( 1.229 0.579 2.063) 2.471 30.067 ( 6.842 -2.541 5.728) 9.278 30.254 ( -9.368 -7.324 -11.626) 16.630 31.024 ( 1.711 9.261 2.523) 9.750 31.119 ( -3.179 0.326 1.905) 3.720 31.390 ( 3.685 -6.144 -5.826) 9.234 31.857 ( -1.904 1.377 2.486) 3.421 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -5.345 17.375 7.782) 19.775 1.269 ( -2.664 20.263 3.091) 20.670 1.820 ( 0.422 4.430 -1.800) 4.800 1.972 ( -1.719 1.490 -3.465) 4.145 1.982 ( 0.258 0.149 2.153) 2.174 2.092 ( -0.277 1.408 3.764) 4.028 2.305 ( 1.728 -0.174 -5.441) 5.711 2.334 ( 0.591 2.736 1.832) 3.345 2.427 ( -3.605 6.190 2.090) 7.462 2.535 ( -0.959 7.509 0.455) 7.584 2.646 ( -1.931 -2.334 5.507) 6.285 2.799 ( 2.544 0.119 -0.048) 2.547 2.994 ( 5.955 0.100 -0.131) 5.958 3.070 ( -2.912 5.315 3.015) 6.769 3.128 ( -2.743 2.158 -1.291) 3.722 3.170 ( -3.109 2.811 2.864) 5.077 3.261 ( 1.451 4.554 -1.310) 4.956 3.461 ( 0.408 4.957 2.574) 5.600 3.554 ( -1.081 7.649 4.789) 9.089 3.717 ( 6.388 2.786 -0.962) 7.036 3.853 ( 0.089 9.243 -0.099) 9.244 3.927 ( 3.471 6.598 -3.093) 8.071 4.106 ( 1.853 7.899 -3.025) 8.659 4.132 ( 6.559 -1.158 -3.529) 7.537 4.322 ( 0.959 6.983 5.082) 8.690 4.368 ( -8.102 7.123 4.767) 11.794 4.430 ( -2.398 -1.721 -3.299) 4.426 4.560 ( -2.618 6.824 -1.263) 7.417 4.700 ( -2.590 5.362 4.264) 7.324 4.835 ( -1.229 4.850 2.884) 5.775 4.965 ( -0.648 -0.986 -4.954) 5.093 5.011 ( 7.625 -1.323 -1.245) 7.839 5.179 ( -0.772 1.823 -3.565) 4.078 5.277 ( 2.204 1.160 -4.829) 5.434 5.372 ( -1.947 -4.415 2.679) 5.519 5.529 ( -1.021 -6.407 -3.319) 7.287 5.701 ( -1.020 -8.891 1.811) 9.131 5.717 ( 2.201 1.357 3.090) 4.029 6.177 ( -1.099 -2.405 -7.135) 7.609 6.236 ( -0.989 7.269 -0.773) 7.377 6.348 ( -2.009 -1.053 1.566) 2.757 6.514 ( 3.674 -0.829 -6.804) 7.777 6.681 ( 1.081 -1.188 -0.098) 1.609 6.832 ( -0.645 -1.529 0.157) 1.667 7.026 ( -3.430 -6.992 3.432) 8.511 7.146 ( -0.858 -10.301 1.184) 10.404 7.230 ( -3.504 -7.545 3.676) 9.095 7.688 ( 13.781 -8.835 -1.490) 16.437 7.985 ( -5.632 -3.807 5.483) 8.734 8.697 ( 0.938 -5.336 -5.751) 7.901 8.770 ( -3.924 -4.209 -8.512) 10.275 9.009 ( 7.046 -10.608 5.913) 14.041 9.164 ( 1.091 -5.509 -2.228) 6.042 9.245 ( 0.093 -4.743 0.563) 4.777 9.524 ( 1.440 -7.855 -0.500) 8.002 9.652 ( -5.920 -5.126 4.081) 8.831 10.220 ( -0.455 3.942 2.291) 4.582 10.235 ( -1.502 -1.177 2.494) 3.140 10.653 ( -0.662 -0.672 -1.496) 1.769 10.855 ( 1.436 0.284 -2.536) 2.928 11.579 ( -1.490 0.098 0.177) 1.504 11.742 ( 0.223 -0.525 3.236) 3.286 11.897 ( -0.733 2.616 -4.668) 5.401 12.021 ( 0.167 1.431 2.137) 2.577 13.430 ( 0.197 8.216 0.227) 8.222 13.519 ( 1.871 1.886 -1.668) 3.137 13.847 ( -2.031 1.308 2.129) 3.220 14.091 ( 1.296 -6.377 -2.225) 6.878 15.904 ( -0.016 -0.956 -0.034) 0.957 15.984 ( 0.899 0.232 -1.585) 1.837 16.169 ( -2.477 1.236 2.497) 3.728 16.288 ( 0.148 -0.149 -0.345) 0.404 16.607 ( 1.486 -0.796 -0.027) 1.686 16.696 ( 0.056 0.237 1.433) 1.454 16.806 ( 2.040 3.940 -3.428) 5.607 16.965 ( 0.429 0.146 -1.683) 1.743 17.112 ( -3.840 0.577 5.017) 6.344 17.348 ( -1.229 -0.383 2.408) 2.730 17.617 ( 0.717 0.795 -1.279) 1.668 17.695 ( -0.827 0.053 -1.023) 1.317 27.604 ( -0.355 3.226 1.238) 3.473 27.703 ( 0.076 0.609 0.666) 0.906 27.826 ( -0.387 -0.320 -2.032) 2.093 27.912 ( 0.410 -0.888 -0.721) 1.215 28.721 ( 0.942 -4.660 1.457) 4.973 28.987 ( 0.145 -0.260 1.746) 1.771 29.137 ( 2.157 -0.537 -3.986) 4.564 29.253 ( 2.290 -1.557 2.003) 3.417 29.510 ( -5.977 2.146 1.597) 6.549 29.652 ( 1.674 0.413 7.501) 7.696 30.149 ( 3.032 -1.249 -6.184) 7.000 30.302 ( 3.796 -5.904 1.502) 7.178 30.825 ( -2.564 12.578 0.670) 12.854 31.097 ( -2.938 0.712 -0.715) 3.106 31.522 ( 4.361 -6.943 -3.300) 8.838 31.794 ( -6.413 2.935 -0.571) 7.076 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -2.242 17.728 13.753) 22.549 0.964 ( 1.244 19.132 12.581) 22.932 1.753 ( 2.481 6.880 -0.487) 7.330 1.827 ( -1.199 14.703 6.714) 16.208 1.970 ( 2.893 4.994 -3.068) 6.536 2.097 ( 1.620 2.396 4.376) 5.245 2.195 ( -1.943 10.227 4.616) 11.387 2.245 ( -0.708 7.348 -4.997) 8.914 2.327 ( -1.074 1.804 0.865) 2.270 2.371 ( -3.514 4.961 -3.002) 6.781 2.595 ( -1.501 9.035 3.312) 9.740 2.796 ( 1.814 1.986 -5.454) 6.081 2.905 ( 2.742 8.658 -3.411) 9.701 2.976 ( -7.186 2.717 2.241) 8.002 3.067 ( 1.910 7.526 2.503) 8.158 3.211 ( 1.664 -4.868 -0.943) 5.230 3.282 ( -2.076 -7.866 8.302) 11.624 3.370 ( -3.130 5.701 -0.336) 6.513 3.469 ( -1.180 4.187 7.287) 8.486 3.622 ( -2.973 9.633 7.996) 12.868 3.836 ( 5.865 0.770 -0.367) 5.927 3.865 ( 6.697 4.151 -1.359) 7.996 3.995 ( 4.133 4.905 -1.822) 6.668 4.093 ( -1.852 5.978 -4.508) 7.713 4.209 ( -10.633 6.564 6.194) 13.947 4.254 ( 5.963 5.800 -3.477) 9.016 4.377 ( -0.516 -1.286 4.351) 4.566 4.485 ( 0.293 0.540 -2.653) 2.723 4.729 ( 4.871 1.223 7.416) 8.957 4.788 ( 1.045 -1.289 0.599) 1.765 4.927 ( -1.363 0.399 -6.680) 6.829 5.065 ( 5.232 0.300 -1.617) 5.484 5.134 ( -0.984 0.535 -3.336) 3.519 5.270 ( 1.280 -2.144 -9.245) 9.576 5.423 ( -3.176 -2.830 1.630) 4.556 5.625 ( -2.227 -6.961 -1.706) 7.505 5.727 ( 1.445 -0.340 1.957) 2.456 5.841 ( -1.703 -7.410 2.688) 8.064 6.125 ( 0.116 4.723 -1.313) 4.904 6.160 ( -0.499 -0.406 -7.143) 7.172 6.354 ( -0.874 -0.885 -0.492) 1.338 6.533 ( 4.836 -1.182 -9.979) 11.152 6.646 ( 2.974 7.170 0.867) 7.811 6.808 ( -6.148 0.318 2.171) 6.528 7.168 ( -1.424 -10.292 2.207) 10.621 7.326 ( -0.662 -9.980 1.645) 10.136 7.374 ( 0.930 -6.886 5.556) 8.897 7.923 ( 3.710 -8.293 -3.463) 9.723 8.064 ( -5.600 -8.507 7.063) 12.394 8.655 ( -0.041 0.848 -7.070) 7.121 8.845 ( 5.940 -4.851 -2.440) 8.048 9.105 ( -6.207 -0.277 -2.587) 6.730 9.333 ( 4.938 -6.993 0.661) 8.586 9.400 ( 7.254 -11.721 -1.011) 13.821 9.702 ( 0.658 -11.370 0.643) 11.407 9.745 ( -8.228 -10.340 3.741) 13.733 10.156 ( -4.337 3.236 3.680) 6.544 10.267 ( -0.113 -2.045 1.902) 2.795 10.643 ( 0.764 1.503 -1.641) 2.353 10.837 ( 1.354 1.815 -2.839) 3.631 11.571 ( -0.337 0.130 -0.183) 0.405 11.758 ( 0.498 0.784 0.521) 1.065 11.844 ( 0.306 0.901 -1.117) 1.467 12.004 ( 0.567 1.994 1.734) 2.702 13.293 ( -0.172 8.078 0.388) 8.090 13.493 ( 3.681 2.173 -3.003) 5.224 13.830 ( -3.829 -0.008 3.849) 5.429 14.186 ( 1.900 -4.753 -2.442) 5.671 15.928 ( 0.726 -1.938 0.505) 2.131 15.983 ( 1.276 -0.150 -0.991) 1.622 16.149 ( -1.693 0.254 1.915) 2.568 16.293 ( 0.756 -0.196 -1.066) 1.321 16.632 ( 1.053 -0.812 0.200) 1.344 16.702 ( 0.370 0.166 1.438) 1.494 16.738 ( 1.222 3.955 -2.228) 4.701 16.934 ( -1.146 2.275 -2.565) 3.615 17.117 ( -3.835 -1.480 7.165) 8.260 17.345 ( -1.528 0.570 1.904) 2.507 17.597 ( 0.901 1.410 -1.640) 2.343 17.657 ( -2.804 2.018 -3.479) 4.903 27.561 ( 0.118 2.751 1.986) 3.395 27.696 ( -0.031 0.839 1.132) 1.410 27.814 ( -0.481 -0.167 -2.836) 2.881 27.916 ( -0.122 -0.337 -1.741) 1.777 28.839 ( 1.888 -6.447 3.790) 7.713 29.033 ( 1.787 -2.387 5.395) 6.164 29.149 ( 0.600 -1.984 -4.908) 5.328 29.307 ( 1.586 -1.062 3.926) 4.366 29.461 ( -5.097 -0.385 2.777) 5.817 29.694 ( -0.882 -1.252 5.785) 5.984 30.133 ( -2.122 -1.691 -8.816) 9.224 30.420 ( 7.654 6.633 1.201) 10.199 30.686 ( 5.061 -0.111 6.241) 8.036 31.034 ( -2.378 3.378 -3.227) 5.242 31.562 ( -2.507 4.011 -6.101) 7.720 31.720 ( -2.658 -3.636 -1.660) 4.800 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 17.093 -0.000 11.696) 20.711 1.187 ( 12.068 -0.000 18.448) 22.044 1.678 ( 0.155 -0.000 -8.809) 8.810 1.785 ( 1.678 -0.000 -1.909) 2.541 1.852 ( 1.891 -0.000 3.839) 4.280 1.901 ( 0.612 -0.000 -7.131) 7.157 2.017 ( 9.099 -0.000 7.796) 11.982 2.163 ( -2.038 0.000 1.531) 2.549 2.303 ( 3.381 -0.000 3.788) 5.077 2.385 ( -2.004 0.000 -10.699) 10.885 2.422 ( 2.079 -0.000 -1.859) 2.789 2.642 ( 0.985 -0.000 -13.172) 13.209 2.776 ( -0.940 0.000 2.790) 2.945 2.829 ( 2.347 -0.000 11.693) 11.926 3.028 ( -12.056 0.000 7.062) 13.972 3.039 ( 1.884 -0.000 5.847) 6.143 3.254 ( -18.760 0.000 3.569) 19.096 3.265 ( -6.477 0.000 6.014) 8.838 3.421 ( -0.471 0.000 6.487) 6.504 3.604 ( 0.450 -0.000 9.476) 9.486 3.729 ( 5.148 -0.000 -5.676) 7.663 3.861 ( -0.541 0.000 2.347) 2.409 3.892 ( -1.816 0.000 -3.470) 3.916 4.030 ( 0.342 -0.000 -7.151) 7.159 4.187 ( -2.465 0.000 6.024) 6.509 4.385 ( 3.718 -0.000 -9.083) 9.814 4.427 ( -0.784 0.000 2.243) 2.376 4.474 ( -5.936 0.000 -9.418) 11.133 4.556 ( -3.895 0.000 11.009) 11.677 4.843 ( 2.350 -0.000 -6.421) 6.837 4.944 ( 2.298 -0.000 -1.261) 2.622 4.951 ( 4.354 -0.000 -6.185) 7.564 5.029 ( 1.365 -0.000 -2.888) 3.195 5.389 ( -4.322 0.000 0.537) 4.355 5.407 ( -0.970 0.000 -1.755) 2.006 5.562 ( 0.862 -0.000 -5.740) 5.804 5.787 ( -6.373 0.000 -0.495) 6.392 5.961 ( -0.144 0.000 1.468) 1.475 6.137 ( 3.777 -0.000 -1.355) 4.013 6.305 ( -0.050 0.000 6.954) 6.954 6.488 ( 10.523 -0.000 3.465) 11.079 6.530 ( 10.741 -0.000 -1.433) 10.836 6.684 ( 5.857 -0.000 -9.416) 11.089 6.823 ( 15.380 -0.000 1.983) 15.507 7.270 ( -6.763 0.000 -0.497) 6.781 7.473 ( -6.016 0.000 -0.297) 6.023 7.578 ( -7.269 0.000 6.637) 9.843 7.733 ( -2.908 0.000 7.234) 7.796 8.506 ( 2.238 -0.000 2.836) 3.613 8.518 ( -12.248 0.000 -8.925) 15.155 8.771 ( -21.576 0.000 -5.128) 22.177 9.055 ( 8.093 -0.000 8.196) 11.518 9.392 ( 1.620 -0.000 2.110) 2.660 9.546 ( 1.302 -0.000 -7.273) 7.389 9.907 ( 2.453 -0.000 -0.142) 2.457 9.944 ( -2.787 0.000 -0.709) 2.876 10.299 ( 10.864 -0.000 -3.222) 11.332 10.319 ( -2.422 0.000 2.307) 3.345 10.512 ( -1.503 0.000 1.109) 1.868 10.743 ( -0.248 0.000 -2.322) 2.335 11.528 ( -0.004 0.000 0.530) 0.530 11.692 ( 1.807 -0.000 -3.150) 3.631 12.046 ( 3.958 -0.000 3.416) 5.229 12.056 ( 3.242 -0.000 -2.281) 3.964 13.117 ( -1.921 0.000 1.015) 2.173 13.540 ( 4.679 -0.000 -4.088) 6.213 13.789 ( -3.887 0.000 5.996) 7.145 14.303 ( 2.934 -0.000 -2.413) 3.799 15.952 ( -0.891 0.000 -1.199) 1.494 16.154 ( 2.283 -0.000 -1.791) 2.902 16.291 ( 5.130 -0.000 -5.780) 7.728 16.294 ( 2.199 -0.000 -0.411) 2.237 16.621 ( -1.324 0.000 -0.519) 1.422 16.658 ( -0.641 0.000 1.356) 1.500 16.659 ( -4.097 0.000 0.718) 4.160 16.770 ( 1.421 -0.000 2.032) 2.480 17.206 ( -2.811 0.000 7.593) 8.097 17.330 ( -1.491 0.000 1.779) 2.322 17.429 ( -1.244 0.000 -0.149) 1.253 17.531 ( -0.082 0.000 -2.775) 2.777 27.603 ( 1.752 -0.000 3.437) 3.858 27.720 ( -0.800 0.000 3.907) 3.989 27.725 ( 0.125 -0.000 -4.551) 4.553 27.847 ( -1.475 0.000 -2.787) 3.153 29.183 ( -0.710 0.000 0.476) 0.855 29.238 ( 0.143 -0.000 -1.055) 1.064 29.305 ( 3.659 -0.000 10.558) 11.174 29.328 ( -1.015 0.000 -0.503) 1.133 29.538 ( 3.807 -0.000 5.677) 6.835 29.639 ( -5.460 0.000 1.272) 5.606 29.923 ( -4.889 0.000 -1.741) 5.190 29.978 ( -1.861 0.000 -4.112) 4.513 30.374 ( -6.594 0.000 6.714) 9.410 30.990 ( 4.328 -0.000 -7.241) 8.436 31.671 ( -3.589 0.000 -0.636) 3.645 32.162 ( 15.573 -0.000 -8.788) 17.882 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 15.892 -4.772 7.777) 18.325 1.495 ( 10.969 -12.579 14.205) 21.917 1.731 ( 2.013 -7.125 -9.909) 12.369 1.796 ( 0.385 -1.398 -1.347) 1.979 1.894 ( -1.783 -6.704 4.027) 8.021 1.962 ( 3.857 -5.446 -3.862) 7.710 2.118 ( 3.650 -1.282 -1.248) 4.065 2.171 ( -1.670 -2.934 2.785) 4.377 2.249 ( 1.545 3.327 -4.937) 6.150 2.378 ( -0.393 1.488 6.891) 7.060 2.452 ( -2.013 -5.405 -8.199) 10.024 2.690 ( 1.463 -9.864 -12.081) 15.665 2.772 ( -1.705 0.670 -1.854) 2.607 2.870 ( -1.476 0.810 7.584) 7.769 2.973 ( -0.388 -2.844 2.318) 3.689 3.124 ( -11.167 -2.681 1.214) 11.548 3.241 ( -5.323 -10.275 7.111) 13.582 3.274 ( -5.818 -3.468 13.288) 14.915 3.465 ( 0.871 -2.167 7.034) 7.412 3.667 ( -0.364 -3.443 7.693) 8.436 3.766 ( 1.653 0.186 -0.344) 1.699 3.863 ( 0.285 -3.595 -1.951) 4.100 3.902 ( -0.777 -4.519 -2.936) 5.444 4.026 ( 0.934 -3.092 -8.630) 9.214 4.167 ( -7.457 1.350 1.202) 7.673 4.279 ( -5.399 -1.723 -4.653) 7.333 4.386 ( -0.963 5.932 2.276) 6.426 4.520 ( 8.243 -1.112 -1.592) 8.469 4.590 ( -1.524 -0.945 9.753) 9.917 4.794 ( 3.081 2.216 -8.202) 9.037 4.933 ( 1.244 -1.047 -3.840) 4.170 5.001 ( 3.046 0.810 -4.599) 5.576 5.059 ( 1.185 -4.834 -1.802) 5.293 5.305 ( -3.112 4.559 -0.337) 5.530 5.408 ( 2.001 2.175 -2.613) 3.945 5.513 ( -1.199 1.329 -3.121) 3.598 5.691 ( -4.839 5.075 0.845) 7.063 5.972 ( 0.155 1.067 1.393) 1.761 6.094 ( 1.400 4.836 1.406) 5.227 6.386 ( 2.767 -4.614 4.531) 7.034 6.577 ( 11.286 2.302 3.403) 12.010 6.613 ( 9.298 0.712 -4.619) 10.406 6.687 ( 4.924 -0.816 -4.592) 6.783 6.966 ( 10.467 -1.477 3.101) 11.016 7.139 ( -6.486 7.470 -0.187) 9.895 7.405 ( -8.280 0.776 -0.743) 8.349 7.538 ( -3.823 3.709 4.062) 6.699 7.681 ( -5.383 5.607 5.040) 9.264 8.426 ( -8.885 -3.515 -6.877) 11.773 8.436 ( -2.280 7.496 2.497) 8.223 8.619 ( -8.480 -0.767 -6.928) 10.976 9.135 ( 0.926 1.575 4.822) 5.157 9.328 ( 6.202 9.568 4.287) 12.182 9.497 ( -0.983 4.585 -4.701) 6.640 9.825 ( -1.064 8.619 -1.554) 8.822 9.906 ( -1.453 3.935 0.850) 4.279 10.245 ( 3.035 2.553 -0.624) 4.014 10.388 ( 2.155 0.008 2.418) 3.239 10.580 ( -0.799 -7.088 -1.662) 7.324 10.745 ( -0.027 -1.648 -2.210) 2.757 11.540 ( -0.247 -0.888 1.118) 1.449 11.698 ( 1.452 -0.449 -2.473) 2.902 12.056 ( 2.743 1.265 -0.939) 3.163 12.093 ( 2.817 -0.193 1.211) 3.073 13.150 ( -1.663 -5.024 0.777) 5.349 13.555 ( 3.805 -0.267 -4.761) 6.101 13.790 ( -3.211 0.046 6.310) 7.081 14.289 ( 2.664 2.939 -2.398) 4.636 15.930 ( -0.868 0.925 -1.173) 1.728 16.137 ( 3.045 3.727 -2.491) 5.419 16.243 ( 3.274 3.519 -0.591) 4.842 16.328 ( 1.573 -0.349 -0.552) 1.703 16.593 ( -1.230 0.465 -1.207) 1.785 16.659 ( -1.453 -0.620 1.647) 2.282 16.710 ( -1.215 -5.851 -0.393) 5.989 16.799 ( 0.997 -1.227 1.251) 2.016 17.218 ( -1.706 0.477 6.722) 6.951 17.309 ( -1.742 1.598 0.515) 2.419 17.456 ( -0.953 -3.938 -0.038) 4.052 17.537 ( -0.167 -2.154 -1.755) 2.783 27.643 ( 1.588 -1.118 3.025) 3.595 27.712 ( 0.091 -0.771 -3.305) 3.395 27.737 ( -0.365 -0.528 3.228) 3.291 27.819 ( -1.492 0.325 -2.743) 3.139 28.996 ( -2.345 11.512 -0.632) 11.765 29.271 ( 2.145 4.239 0.343) 4.763 29.322 ( 2.813 0.027 2.938) 4.067 29.362 ( 0.902 2.170 2.384) 3.348 29.603 ( 2.225 -1.267 5.329) 5.912 29.684 ( -3.160 -7.841 -0.222) 8.457 29.857 ( -2.841 1.045 -0.606) 3.087 30.009 ( -3.997 -6.401 -8.596) 11.438 30.426 ( -7.513 -7.560 10.021) 14.629 31.000 ( 5.996 -0.825 -6.633) 8.979 31.647 ( -3.181 -0.173 1.817) 3.667 32.146 ( 12.095 9.398 -6.449) 16.620 ======================= Grid point 107 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 12.609 -4.983 4.030) 14.144 1.784 ( 1.851 -3.573 -8.367) 9.285 1.790 ( 7.555 -6.156 6.691) 11.821 1.833 ( 2.423 -1.958 3.369) 4.588 2.040 ( 0.112 -2.075 -0.734) 2.204 2.066 ( -0.485 -4.824 -4.623) 6.699 2.096 ( -3.078 -7.608 -2.924) 8.713 2.236 ( -3.643 -2.572 4.338) 6.221 2.275 ( 5.967 -3.490 -2.225) 7.262 2.383 ( -0.721 1.835 9.381) 9.586 2.459 ( -4.891 -2.852 -8.243) 10.001 2.738 ( 1.168 -1.760 -0.239) 2.126 2.827 ( -0.970 -8.194 -6.425) 10.458 2.908 ( -8.966 0.285 1.842) 9.158 2.971 ( 1.305 -9.022 1.037) 9.174 3.238 ( 1.061 -12.095 -0.498) 12.152 3.349 ( -3.927 -2.238 7.225) 8.522 3.411 ( -6.747 -9.307 6.290) 13.104 3.587 ( 1.144 -3.861 6.453) 7.606 3.754 ( -2.371 -3.450 4.061) 5.832 3.813 ( 2.541 -9.154 4.250) 10.407 3.967 ( 1.567 -9.766 -4.525) 10.877 3.988 ( -0.816 -3.328 -4.262) 5.469 4.030 ( -2.656 -2.301 -1.475) 3.811 4.123 ( -2.818 -7.154 -6.973) 10.380 4.263 ( -0.497 7.755 2.712) 8.231 4.327 ( 5.052 -3.471 -1.219) 6.250 4.580 ( 2.528 -0.658 3.550) 4.408 4.655 ( -0.870 -3.356 6.192) 7.096 4.770 ( 0.638 -0.643 -4.474) 4.565 4.948 ( 0.941 3.812 -0.056) 3.926 4.963 ( 0.479 -2.861 -3.353) 4.434 5.139 ( 1.512 -4.145 -7.600) 8.788 5.193 ( -1.199 5.309 2.058) 5.819 5.341 ( 3.934 4.082 -6.251) 8.439 5.488 ( -2.471 0.375 -0.478) 2.544 5.584 ( -4.405 3.404 1.948) 5.898 5.911 ( 0.346 7.349 4.322) 8.533 6.072 ( 0.075 -0.979 -0.907) 1.336 6.502 ( 7.651 -1.288 -1.672) 7.937 6.589 ( 3.864 5.048 -1.366) 6.502 6.621 ( 9.999 2.363 -0.909) 10.315 6.748 ( 4.518 -0.925 1.583) 4.876 6.895 ( -4.323 9.583 -1.251) 10.587 7.102 ( 3.747 0.204 4.739) 6.045 7.302 ( -9.708 2.658 -1.067) 10.122 7.411 ( -3.936 9.394 -0.034) 10.185 7.537 ( -4.406 8.574 3.811) 10.365 8.347 ( 0.623 2.708 3.844) 4.743 8.425 ( -6.329 -6.392 -5.100) 10.340 8.544 ( 0.584 3.063 -6.244) 6.979 9.012 ( -6.222 11.115 3.232) 13.141 9.259 ( 5.341 9.591 4.058) 11.704 9.355 ( -0.491 6.987 -2.847) 7.561 9.646 ( 0.045 9.668 -1.469) 9.779 9.816 ( -1.437 5.223 0.881) 5.488 10.250 ( 2.052 0.470 0.828) 2.262 10.410 ( 3.555 1.153 2.938) 4.754 10.646 ( -2.905 -3.267 -2.848) 5.217 10.770 ( 0.429 -2.243 -1.816) 2.918 11.561 ( -0.902 -1.248 1.722) 2.310 11.702 ( 0.960 -0.098 -1.513) 1.795 12.047 ( 1.766 1.341 -1.206) 2.524 12.109 ( 1.857 1.051 0.304) 2.155 13.255 ( -1.163 -8.210 0.307) 8.298 13.568 ( 2.604 -1.124 -4.714) 5.502 13.798 ( -2.280 -0.197 5.519) 5.975 14.226 ( 2.088 5.565 -2.303) 6.374 15.902 ( -0.680 1.037 -0.702) 1.425 16.073 ( 2.717 4.626 -1.571) 5.590 16.232 ( 2.329 1.300 0.983) 2.843 16.334 ( 0.584 0.451 0.117) 0.748 16.576 ( -0.924 -0.097 -1.034) 1.390 16.672 ( -1.167 -0.972 1.935) 2.460 16.795 ( 0.228 -5.069 -1.466) 5.282 16.834 ( 0.413 -2.084 -0.495) 2.182 17.231 ( -0.985 0.466 5.607) 5.712 17.267 ( -2.113 1.232 0.199) 2.454 17.522 ( -0.333 -4.191 -0.224) 4.210 17.578 ( -0.073 -3.128 0.070) 3.130 27.680 ( 0.322 -1.056 0.443) 1.189 27.728 ( 1.191 -1.581 -0.238) 1.994 27.764 ( 0.029 -1.131 2.894) 3.107 27.788 ( -1.518 0.215 -2.747) 3.146 28.812 ( -2.394 7.799 -0.788) 8.196 29.187 ( 1.871 5.675 -4.108) 7.251 29.307 ( 0.013 4.774 1.178) 4.917 29.342 ( 4.077 2.898 1.868) 5.339 29.648 ( 1.426 0.354 4.273) 4.519 29.789 ( -4.726 -3.748 4.514) 7.534 29.820 ( 1.560 -0.533 -2.493) 2.989 30.031 ( -5.907 -6.423 -9.560) 12.944 30.589 ( -7.663 -13.366 8.697) 17.692 31.057 ( 8.200 -2.325 -3.770) 9.320 31.630 ( -3.343 1.474 2.990) 4.721 32.025 ( 9.064 11.070 -4.141) 14.895 ======================= Grid point 108 (46/140) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 7.638 2.709 2.011) 8.350 1.817 ( 2.000 -3.043 -5.972) 6.994 1.898 ( 2.003 0.899 1.296) 2.550 1.944 ( 4.137 -4.715 0.053) 6.273 2.001 ( -2.263 -3.077 0.110) 3.821 2.084 ( -0.186 -0.946 -4.724) 4.821 2.197 ( -8.122 0.241 7.580) 11.112 2.248 ( 4.116 0.806 2.099) 4.690 2.328 ( -2.049 -2.711 -3.769) 5.075 2.401 ( 2.320 -0.825 4.413) 5.054 2.464 ( -3.251 -6.653 -2.111) 7.700 2.816 ( -5.727 -1.623 -6.448) 8.775 2.821 ( 2.975 -3.577 8.251) 9.472 2.974 ( -0.561 -7.893 -1.028) 7.979 3.168 ( 0.546 -10.104 -0.209) 10.121 3.318 ( -4.292 1.796 4.417) 6.415 3.434 ( 0.918 -0.541 -1.982) 2.250 3.511 ( -0.137 -8.971 3.835) 9.758 3.620 ( -2.371 -1.371 0.881) 2.877 3.802 ( -2.106 -1.427 0.030) 2.544 3.990 ( -2.034 -4.911 -8.112) 9.698 4.009 ( 1.686 -1.562 -3.427) 4.127 4.055 ( 1.243 -7.709 5.724) 9.681 4.091 ( -0.072 -2.456 -5.333) 5.871 4.217 ( 0.750 -4.977 3.845) 6.334 4.344 ( 2.895 -15.746 -2.838) 16.259 4.435 ( 5.666 -6.156 1.092) 8.437 4.614 ( -2.694 1.021 7.264) 7.814 4.710 ( -6.518 1.094 0.516) 6.629 4.788 ( 2.171 -7.895 -0.500) 8.203 4.881 ( -0.876 3.313 0.422) 3.453 5.016 ( 0.494 -2.615 0.465) 2.702 5.121 ( 4.819 0.244 -2.160) 5.287 5.212 ( -0.681 -4.701 -4.869) 6.802 5.323 ( 2.994 -1.127 -1.984) 3.764 5.443 ( -2.458 1.751 -0.055) 3.018 5.526 ( -2.879 1.536 -0.456) 3.295 5.815 ( -0.218 6.454 6.401) 9.092 6.098 ( 0.676 -2.237 -2.172) 3.191 6.467 ( 2.156 9.976 0.167) 10.207 6.512 ( 5.053 2.532 -7.093) 9.069 6.684 ( 6.042 2.929 -1.019) 6.791 6.736 ( 2.754 3.175 -1.112) 4.348 6.784 ( 3.254 3.203 1.701) 4.873 7.064 ( -2.287 9.158 2.065) 9.663 7.183 ( -9.877 1.354 3.067) 10.431 7.191 ( -6.842 8.881 -1.298) 11.285 7.416 ( 2.067 4.995 1.587) 5.634 8.358 ( 1.561 3.504 2.887) 4.801 8.417 ( -1.156 4.723 1.188) 5.006 8.507 ( 2.660 -4.673 -8.883) 10.384 8.798 ( -6.891 6.666 4.503) 10.592 9.140 ( 3.612 8.306 0.713) 9.085 9.248 ( -3.499 3.404 -1.364) 5.069 9.525 ( 2.918 6.241 -0.441) 6.904 9.729 ( -1.657 4.371 0.848) 4.751 10.252 ( 0.573 1.342 1.876) 2.376 10.432 ( 6.173 3.078 2.312) 7.275 10.624 ( -5.120 -0.647 -2.725) 5.836 10.803 ( 0.529 -2.074 -1.624) 2.687 11.578 ( -1.568 -0.882 1.484) 2.332 11.708 ( 1.048 -0.076 0.787) 1.313 12.026 ( 0.641 1.336 -2.779) 3.149 12.093 ( 1.082 2.168 0.455) 2.465 13.385 ( -0.661 -7.768 -0.087) 7.797 13.589 ( 1.265 -1.611 -2.852) 3.511 13.819 ( -1.018 -1.597 3.178) 3.699 14.121 ( 1.430 7.250 -2.027) 7.663 15.883 ( -0.420 0.360 -0.160) 0.576 16.025 ( 2.030 2.637 -1.071) 3.496 16.232 ( 0.642 1.116 1.594) 2.049 16.325 ( 0.030 0.927 -0.028) 0.928 16.572 ( -0.210 -0.373 -0.298) 0.522 16.686 ( -1.346 -0.749 1.792) 2.363 16.853 ( 1.747 -2.015 -2.561) 3.697 16.876 ( 0.126 -3.534 -1.827) 3.980 17.210 ( -1.477 2.328 1.587) 3.181 17.272 ( -1.685 -1.460 4.434) 4.963 17.578 ( 0.086 -2.816 -0.605) 2.882 17.631 ( 0.002 -2.701 0.978) 2.872 27.694 ( -0.231 -0.837 -0.459) 0.982 27.739 ( 0.028 1.768 0.587) 1.863 27.780 ( -0.522 -2.369 -2.755) 3.671 27.810 ( 0.691 -2.072 2.847) 3.588 28.694 ( -1.428 4.218 -0.270) 4.461 29.088 ( 1.064 4.479 -5.799) 7.404 29.235 ( -0.048 4.310 0.935) 4.410 29.312 ( 2.878 3.895 -0.638) 4.885 29.655 ( 0.140 1.350 -0.761) 1.556 29.736 ( -2.364 3.320 3.845) 5.603 29.929 ( 2.256 -5.453 5.526) 8.084 30.037 ( -5.782 -5.244 -7.736) 10.990 30.801 ( -5.117 -13.125 5.740) 15.212 31.164 ( 8.818 -3.661 -1.387) 9.647 31.535 ( -2.816 8.786 0.817) 9.263 31.921 ( 3.590 5.320 -1.798) 6.665 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 1.965 12.135 3.919) 12.903 1.803 ( -0.794 10.379 1.376) 10.500 1.871 ( 0.888 -4.183 -2.564) 4.986 1.957 ( -2.486 -0.006 -5.179) 5.745 2.077 ( -0.814 2.737 -0.634) 2.925 2.104 ( 1.835 -4.950 -2.406) 5.802 2.167 ( -1.822 3.235 6.082) 7.126 2.240 ( 1.220 -7.275 3.834) 8.313 2.415 ( 0.551 -2.917 0.887) 3.099 2.474 ( 2.299 -3.943 2.430) 5.171 2.548 ( -2.874 -6.364 -1.254) 7.094 2.775 ( -4.691 -2.762 -6.104) 8.179 2.951 ( 2.274 -2.915 7.909) 8.730 3.074 ( 0.045 -4.306 0.753) 4.371 3.214 ( -1.802 2.324 -0.095) 2.942 3.296 ( -1.239 0.655 0.104) 1.405 3.374 ( 2.461 5.222 -1.826) 6.055 3.590 ( -1.439 0.958 0.669) 1.854 3.645 ( -1.017 -2.257 1.998) 3.181 3.811 ( 2.457 0.746 -0.571) 2.630 3.957 ( -3.006 -4.176 -6.734) 8.474 4.060 ( 3.207 -0.412 -7.747) 8.395 4.121 ( 3.748 -0.950 -0.778) 3.944 4.204 ( -1.310 -4.088 4.373) 6.128 4.306 ( -0.616 -8.316 -2.962) 8.849 4.458 ( 1.288 5.113 -2.189) 5.709 4.541 ( -7.152 3.575 9.895) 12.721 4.623 ( 0.513 -4.261 0.608) 4.334 4.724 ( -1.890 -8.929 -2.460) 9.453 4.851 ( -0.710 -2.210 0.846) 2.471 4.948 ( 4.575 -3.891 3.839) 7.128 5.074 ( 1.438 -2.746 2.130) 3.761 5.177 ( 3.517 -1.434 -1.638) 4.136 5.255 ( -2.838 -3.403 -0.919) 4.526 5.355 ( -1.754 -2.966 -2.945) 4.533 5.397 ( -0.574 2.959 -0.684) 3.090 5.483 ( 1.374 0.862 -0.216) 1.636 5.780 ( -0.957 1.371 6.243) 6.463 6.122 ( 0.345 -1.210 -1.601) 2.036 6.354 ( 0.628 3.748 1.325) 4.025 6.477 ( 4.739 2.634 -8.533) 10.110 6.580 ( 2.163 8.182 -3.449) 9.139 6.712 ( 2.702 6.497 0.277) 7.042 6.752 ( 0.796 1.400 -4.315) 4.605 6.904 ( -0.563 5.219 2.758) 5.930 7.032 ( -2.487 3.100 0.429) 3.997 7.136 ( -11.529 -1.540 4.554) 12.491 7.448 ( 7.296 -3.996 -0.007) 8.318 8.160 ( -2.173 14.562 4.186) 15.307 8.449 ( 1.494 -4.272 1.499) 4.767 8.570 ( 0.644 -5.352 -8.800) 10.319 8.783 ( -0.864 -4.064 4.932) 6.449 9.085 ( 4.292 2.268 -0.153) 4.857 9.176 ( -5.385 0.003 -1.646) 5.631 9.463 ( 1.931 3.269 -0.463) 3.825 9.654 ( -2.174 3.256 1.079) 4.061 10.239 ( -0.674 1.278 2.540) 2.922 10.402 ( 3.494 6.362 0.835) 7.306 10.601 ( -2.426 -2.064 -0.939) 3.320 10.829 ( 0.787 -1.526 -2.096) 2.710 11.580 ( -1.414 -0.215 0.989) 1.739 11.730 ( 1.101 -0.235 3.332) 3.517 11.980 ( -0.330 2.076 -5.084) 5.501 12.071 ( 0.724 1.855 1.628) 2.572 13.485 ( -0.210 -4.581 -0.052) 4.586 13.597 ( 0.052 0.943 -0.426) 1.036 13.877 ( 0.356 -4.934 0.158) 4.949 13.999 ( 0.832 7.284 -1.410) 7.466 15.881 ( -0.183 -0.299 0.117) 0.370 16.002 ( 1.202 1.118 -1.507) 2.229 16.217 ( -1.235 1.465 2.055) 2.810 16.307 ( -0.039 1.064 -0.083) 1.068 16.583 ( 0.756 -0.652 0.247) 1.029 16.692 ( -1.608 -0.510 1.576) 2.308 16.874 ( 2.479 -0.225 -3.709) 4.467 16.922 ( 0.646 -2.662 -2.246) 3.542 17.167 ( -1.976 2.425 3.012) 4.342 17.307 ( -1.636 -1.749 3.762) 4.460 17.611 ( 0.463 -1.352 -0.575) 1.540 17.670 ( -0.266 -1.608 0.405) 1.679 27.695 ( -0.209 1.112 -0.272) 1.163 27.711 ( -0.344 0.725 0.732) 1.086 27.798 ( -0.519 -1.581 -2.292) 2.832 27.862 ( 0.702 -2.001 1.500) 2.597 28.651 ( 0.484 0.762 1.272) 1.560 29.010 ( 0.137 2.315 -4.281) 4.869 29.175 ( 0.093 2.806 -1.610) 3.236 29.272 ( 1.832 2.469 0.133) 3.077 29.584 ( -3.721 2.572 -5.063) 6.789 29.720 ( 0.436 2.676 9.784) 10.153 30.019 ( -6.987 -6.304 -8.868) 12.931 30.104 ( 7.762 -4.339 8.439) 12.260 30.972 ( -1.563 -7.715 2.831) 8.365 31.296 ( 2.628 -4.592 -4.975) 7.263 31.320 ( 1.504 12.913 3.244) 13.399 31.869 ( -1.763 1.911 -1.390) 2.948 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -1.836 15.712 7.428) 17.477 1.581 ( 0.811 16.221 1.838) 16.345 1.885 ( -0.940 3.766 -2.670) 4.711 1.936 ( 1.689 -2.854 -0.548) 3.361 2.008 ( -0.117 2.229 1.588) 2.739 2.133 ( -1.207 2.209 4.624) 5.265 2.232 ( 0.768 -6.737 -5.396) 8.666 2.358 ( 0.834 -1.754 0.469) 1.998 2.437 ( -2.833 -0.595 3.040) 4.198 2.560 ( -2.305 -0.858 -4.408) 5.047 2.587 ( -1.387 -5.508 4.363) 7.163 2.799 ( 1.524 -2.894 -2.672) 4.223 2.990 ( -5.381 -1.030 4.816) 7.294 3.110 ( -0.549 1.422 1.345) 2.033 3.163 ( 5.596 4.053 -3.313) 7.663 3.236 ( -1.234 3.597 -0.711) 3.869 3.340 ( 2.818 1.921 2.602) 4.290 3.544 ( -2.213 3.275 2.946) 4.929 3.652 ( -2.091 2.166 3.530) 4.640 3.793 ( 2.208 2.557 -3.082) 4.573 3.949 ( 0.324 3.470 -1.894) 3.966 4.083 ( 4.213 0.276 -5.735) 7.122 4.098 ( 4.259 1.792 3.719) 5.931 4.247 ( -5.155 0.894 -2.641) 5.861 4.312 ( -1.125 4.585 -1.150) 4.859 4.400 ( 1.322 -3.520 -5.281) 6.483 4.471 ( -5.557 5.467 8.167) 11.290 4.598 ( -0.942 4.361 -1.774) 4.801 4.791 ( -1.608 1.090 -1.609) 2.522 4.876 ( -2.081 0.805 -0.885) 2.400 4.995 ( 1.866 3.298 5.659) 6.811 5.100 ( 7.039 5.103 3.465) 9.359 5.165 ( -1.052 -0.434 -4.496) 4.638 5.278 ( -1.419 -0.385 -2.464) 2.870 5.353 ( 2.082 1.313 0.105) 2.464 5.420 ( 0.604 -6.656 -1.173) 6.785 5.534 ( -2.420 -6.514 1.341) 7.077 5.772 ( -1.851 1.772 4.317) 5.021 6.144 ( 3.489 -0.953 -3.000) 4.699 6.335 ( -1.520 0.673 1.801) 2.451 6.376 ( 1.216 9.035 -3.254) 9.679 6.479 ( 2.311 0.125 -8.550) 8.858 6.668 ( 1.095 0.773 0.371) 1.390 6.764 ( 3.731 -6.135 -5.565) 9.085 6.931 ( -1.188 -4.015 4.937) 6.474 7.023 ( -3.364 -2.642 0.605) 4.320 7.112 ( -5.538 -4.034 4.281) 8.079 7.627 ( 7.285 -9.396 -2.863) 12.229 7.987 ( -2.977 6.732 8.374) 11.149 8.579 ( -1.221 -9.940 -0.072) 10.015 8.607 ( 2.049 -3.467 -8.435) 9.347 8.924 ( 4.348 -8.635 4.537) 10.680 9.086 ( -3.373 -0.972 -3.505) 4.961 9.162 ( -1.474 -3.350 -1.658) 4.018 9.462 ( 1.683 -1.965 1.204) 2.853 9.602 ( -3.138 0.999 1.486) 3.613 10.229 ( -1.744 0.500 3.007) 3.512 10.311 ( -0.587 5.446 0.836) 5.541 10.632 ( 1.917 -1.567 -0.222) 2.486 10.845 ( 1.177 -0.901 -2.707) 3.087 11.577 ( -0.574 0.125 0.967) 1.131 11.761 ( 0.982 -0.137 4.389) 4.500 11.911 ( -0.391 2.446 -5.166) 5.729 12.057 ( 0.567 1.401 1.391) 2.054 13.530 ( 0.048 0.124 -0.082) 0.156 13.548 ( 0.140 3.861 0.321) 3.877 13.892 ( -0.440 4.795 -0.330) 4.826 13.982 ( 1.498 -6.662 -1.357) 6.961 15.888 ( -0.087 -0.656 0.032) 0.663 15.988 ( 0.548 0.452 -2.063) 2.182 16.187 ( -2.093 1.656 2.276) 3.508 16.293 ( 0.278 0.588 -0.012) 0.650 16.605 ( 1.094 -0.787 0.677) 1.508 16.695 ( -1.644 -0.538 1.612) 2.364 16.860 ( 3.090 2.145 -4.340) 5.743 16.949 ( 0.460 -1.281 -2.477) 2.826 17.132 ( -2.238 1.922 5.000) 5.806 17.334 ( -1.887 -1.241 2.597) 3.442 17.625 ( 0.781 -0.068 -0.635) 1.009 17.680 ( -0.922 -0.277 -0.983) 1.376 27.659 ( -0.045 2.710 1.038) 2.903 27.712 ( -0.189 0.020 0.770) 0.793 27.801 ( -0.628 -0.839 -2.466) 2.679 27.895 ( 0.184 -1.076 -0.307) 1.134 28.689 ( 2.618 -2.323 3.257) 4.781 28.980 ( -0.109 -0.385 -0.773) 0.871 29.126 ( -0.440 0.897 -5.413) 5.505 29.273 ( 1.676 0.042 3.136) 3.556 29.489 ( -4.896 1.965 -3.005) 6.072 29.728 ( -0.617 2.274 9.838) 10.117 30.016 ( -5.080 -4.726 -8.268) 10.793 30.317 ( 12.465 -6.401 8.304) 16.288 31.002 ( -2.640 9.428 -4.319) 10.701 31.093 ( -2.367 2.188 1.779) 3.682 31.446 ( 6.386 -5.280 0.126) 8.287 31.790 ( -5.552 3.094 -3.323) 7.172 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.159 16.185 11.147) 19.653 1.345 ( 5.129 16.723 8.245) 19.338 1.826 ( 2.871 2.850 -1.640) 4.365 1.930 ( -0.562 3.326 -1.565) 3.719 2.025 ( 1.018 -0.927 3.551) 3.808 2.129 ( 1.344 -0.174 0.840) 1.594 2.254 ( -0.145 -0.337 -6.808) 6.817 2.337 ( -1.279 2.839 -1.197) 3.336 2.373 ( -6.948 5.623 3.330) 9.538 2.491 ( -1.374 6.351 -2.120) 6.835 2.663 ( -2.079 -1.073 4.619) 5.178 2.803 ( -0.587 1.599 -2.047) 2.663 3.020 ( -5.666 -3.101 -0.891) 6.521 3.066 ( 0.249 0.438 4.947) 4.972 3.112 ( 5.032 10.381 -1.452) 11.627 3.190 ( 2.369 2.196 1.653) 3.628 3.292 ( 0.989 5.443 1.544) 5.743 3.470 ( -2.551 6.046 4.536) 7.977 3.579 ( -3.009 5.734 7.090) 9.602 3.733 ( -2.238 4.508 2.147) 5.472 3.905 ( 5.418 2.605 -1.433) 6.180 4.028 ( 7.253 5.883 -1.266) 9.424 4.093 ( -1.410 5.144 -0.896) 5.408 4.168 ( -0.330 5.181 -0.294) 5.200 4.247 ( -7.424 3.743 1.981) 8.547 4.361 ( 2.346 4.511 -6.717) 8.425 4.394 ( -0.165 1.345 6.837) 6.971 4.480 ( -3.444 4.656 -4.396) 7.271 4.736 ( 1.670 -0.273 -3.698) 4.067 4.820 ( -1.880 2.387 0.920) 3.174 4.954 ( 1.609 4.611 -0.324) 4.895 5.108 ( 4.466 1.130 -0.053) 4.607 5.140 ( 1.145 1.862 -0.238) 2.199 5.231 ( -1.146 1.002 -5.571) 5.776 5.360 ( 0.165 -1.412 -3.661) 3.928 5.525 ( 0.273 -4.529 1.482) 4.773 5.653 ( -5.615 -9.222 2.181) 11.015 5.758 ( -1.357 -0.317 3.727) 3.979 6.154 ( 4.468 1.189 -5.666) 7.313 6.234 ( 2.662 7.214 -1.237) 7.788 6.339 ( 0.149 -0.638 0.387) 0.761 6.491 ( 5.200 -2.728 -10.103) 11.686 6.706 ( -0.100 -3.190 2.228) 3.892 6.833 ( 1.081 4.465 0.323) 4.605 6.981 ( -4.779 -9.436 0.606) 10.594 7.145 ( 0.202 -11.115 1.247) 11.187 7.257 ( 0.412 -10.798 6.091) 12.404 7.779 ( -3.377 -7.606 -6.102) 10.319 7.977 ( -0.040 -2.085 9.922) 10.139 8.626 ( 3.458 -2.790 -7.145) 8.413 8.747 ( 1.637 -8.277 0.736) 8.470 9.020 ( -8.549 -0.081 -6.731) 10.881 9.196 ( 7.188 -15.220 2.396) 17.002 9.231 ( -3.759 -7.576 -0.627) 8.480 9.559 ( -2.182 -6.225 2.685) 7.122 9.608 ( 0.786 -4.381 1.371) 4.657 10.194 ( -3.681 2.847 2.001) 5.066 10.269 ( 0.573 0.185 2.712) 2.778 10.667 ( 3.436 0.128 -0.471) 3.470 10.847 ( 1.036 0.180 -3.131) 3.303 11.575 ( 0.017 0.358 0.579) 0.681 11.781 ( 0.583 0.871 0.843) 1.345 11.862 ( 1.232 0.989 -0.697) 1.727 12.045 ( 0.977 1.392 0.736) 1.853 13.429 ( -0.534 7.949 0.099) 7.968 13.539 ( 2.183 1.388 -0.989) 2.769 13.832 ( -2.065 1.824 1.630) 3.202 14.097 ( 1.909 -6.357 -2.031) 6.942 15.903 ( 0.073 -1.302 0.032) 1.304 15.980 ( 0.728 -0.327 -1.867) 2.030 16.158 ( -1.555 1.135 2.061) 2.820 16.292 ( 0.729 -0.014 -0.162) 0.747 16.629 ( 0.502 -0.643 1.097) 1.367 16.697 ( -2.006 -0.431 1.138) 2.346 16.815 ( 3.604 3.898 -3.539) 6.380 16.940 ( -0.540 0.922 -2.808) 3.005 17.121 ( -2.143 0.630 6.561) 6.931 17.342 ( -2.137 -0.351 1.777) 2.802 17.619 ( 0.820 1.058 -1.052) 1.702 17.652 ( -1.839 1.478 -2.429) 3.386 27.621 ( 0.433 2.890 2.042) 3.566 27.711 ( -0.293 0.406 1.405) 1.492 27.794 ( -0.432 -0.300 -2.791) 2.840 27.899 ( -0.396 -0.299 -1.800) 1.867 28.791 ( 3.568 -4.367 4.431) 7.172 29.012 ( -0.372 -2.937 1.965) 3.553 29.093 ( -0.547 -1.329 -5.594) 5.775 29.321 ( 1.654 -1.604 4.595) 5.141 29.425 ( -4.071 0.255 0.189) 4.083 29.729 ( -1.800 1.829 8.759) 9.127 30.015 ( -3.779 -3.547 -6.712) 8.480 30.551 ( 10.740 -1.127 1.888) 10.963 30.770 ( -2.182 5.833 1.488) 6.404 31.076 ( 0.935 3.341 -1.168) 3.661 31.548 ( 2.277 -1.703 -4.806) 5.584 31.671 ( -3.651 1.559 -2.130) 4.505 ======================= Grid point 115 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 12.089 -0.000 -2.725) 12.392 1.514 ( 7.696 -0.000 12.637) 14.796 1.671 ( 7.506 -0.000 0.058) 7.506 1.735 ( 1.075 -0.000 -7.967) 8.039 1.895 ( -1.366 0.000 4.495) 4.698 1.934 ( 8.233 -0.000 -3.086) 8.793 2.089 ( -8.803 0.000 -4.503) 9.888 2.170 ( 6.471 -0.000 -0.034) 6.471 2.281 ( 0.291 -0.000 -2.364) 2.382 2.351 ( -0.927 0.000 -0.378) 1.001 2.440 ( 0.660 -0.000 3.144) 3.213 2.532 ( 0.609 -0.000 -7.783) 7.807 2.787 ( -0.696 0.000 -4.223) 4.280 2.872 ( 0.780 -0.000 -1.000) 1.268 2.948 ( -7.427 0.000 8.845) 11.550 3.017 ( -13.178 0.000 5.574) 14.308 3.106 ( -3.305 0.000 0.783) 3.396 3.317 ( -1.208 0.000 14.285) 14.336 3.487 ( 3.632 -0.000 1.782) 4.045 3.631 ( -2.530 0.000 1.623) 3.006 3.796 ( -5.116 0.000 -2.713) 5.790 3.805 ( 4.340 -0.000 2.664) 5.092 3.857 ( -0.385 0.000 -1.688) 1.731 3.963 ( 0.628 -0.000 -7.855) 7.880 4.124 ( -10.518 0.000 -5.974) 12.096 4.160 ( -6.516 0.000 5.803) 8.725 4.458 ( -2.029 0.000 5.204) 5.585 4.589 ( 13.248 -0.000 -5.345) 14.286 4.616 ( -3.135 0.000 11.831) 12.239 4.817 ( 3.372 -0.000 -5.799) 6.708 4.926 ( 2.670 -0.000 -7.509) 7.969 4.946 ( 2.501 -0.000 -5.124) 5.702 5.068 ( 1.545 -0.000 0.355) 1.585 5.314 ( -3.641 0.000 -0.903) 3.751 5.409 ( 2.493 -0.000 -0.434) 2.530 5.534 ( 1.446 -0.000 -5.634) 5.816 5.708 ( -3.101 0.000 0.184) 3.107 5.971 ( 0.367 -0.000 -0.002) 0.367 6.210 ( 5.877 -0.000 0.259) 5.882 6.328 ( -6.093 0.000 9.416) 11.215 6.683 ( 4.800 -0.000 -8.765) 9.993 6.695 ( 9.848 -0.000 0.574) 9.865 6.717 ( 12.024 -0.000 4.153) 12.721 7.041 ( 7.219 -0.000 1.756) 7.429 7.153 ( -7.743 0.000 0.227) 7.746 7.341 ( -6.686 0.000 0.886) 6.744 7.566 ( -2.435 0.000 1.933) 3.109 7.697 ( -6.667 0.000 2.900) 7.271 8.278 ( -8.737 0.000 -6.590) 10.943 8.425 ( -13.487 0.000 -2.645) 13.744 8.585 ( 4.778 -0.000 1.018) 4.885 9.196 ( 1.842 -0.000 4.487) 4.850 9.490 ( 6.522 -0.000 3.448) 7.377 9.508 ( 1.734 -0.000 -5.134) 5.419 9.876 ( -4.533 0.000 -1.244) 4.700 9.937 ( 0.745 -0.000 1.035) 1.275 10.290 ( -3.613 0.000 2.071) 4.164 10.411 ( 6.930 -0.000 -2.626) 7.410 10.486 ( -2.331 0.000 0.418) 2.368 10.720 ( 0.199 -0.000 -2.140) 2.150 11.538 ( -0.186 0.000 1.535) 1.546 11.699 ( 1.736 -0.000 -1.303) 2.171 12.075 ( 2.321 -0.000 -2.820) 3.652 12.118 ( 1.761 -0.000 1.605) 2.383 13.098 ( -1.651 0.000 0.935) 1.898 13.556 ( 3.160 -0.000 -5.832) 6.633 13.800 ( -2.905 0.000 7.386) 7.937 14.324 ( 2.564 -0.000 -2.522) 3.596 15.928 ( -0.443 0.000 -0.897) 1.001 16.181 ( 3.656 -0.000 -2.493) 4.425 16.308 ( 2.088 -0.000 -2.354) 3.147 16.324 ( 1.846 -0.000 -0.262) 1.865 16.606 ( -2.721 0.000 -0.051) 2.721 16.607 ( -0.110 0.000 -0.372) 0.388 16.667 ( -0.428 0.000 2.034) 2.079 16.802 ( 0.455 -0.000 1.542) 1.608 17.238 ( -2.005 0.000 6.233) 6.548 17.323 ( -1.206 0.000 1.215) 1.712 17.406 ( -1.060 0.000 -0.544) 1.191 17.508 ( 0.080 -0.000 -1.513) 1.515 27.660 ( 1.259 -0.000 2.633) 2.919 27.686 ( 0.287 -0.000 -4.125) 4.135 27.747 ( -0.652 0.000 3.825) 3.880 27.800 ( -1.090 0.000 -2.124) 2.387 29.169 ( -0.840 0.000 0.036) 0.841 29.232 ( 0.352 -0.000 -0.896) 0.962 29.320 ( 0.061 -0.000 -0.162) 0.173 29.441 ( 1.855 -0.000 5.218) 5.538 29.538 ( -3.009 0.000 -8.591) 9.103 29.621 ( 1.179 -0.000 2.083) 2.393 29.854 ( -1.644 0.000 -1.339) 2.120 29.908 ( -1.518 0.000 -2.764) 3.153 30.389 ( -5.529 0.000 15.484) 16.442 31.010 ( 6.892 -0.000 -5.536) 8.840 31.625 ( -4.028 0.000 2.931) 4.982 32.274 ( 9.068 -0.000 -7.511) 11.775 ======================= Grid point 116 (51/140) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 7.366 -7.039 -9.239) 13.754 1.743 ( 0.967 -13.732 -4.882) 14.606 1.763 ( 7.532 -0.809 1.471) 7.717 1.784 ( 6.284 -5.127 6.930) 10.668 1.913 ( -0.071 -3.816 -0.892) 3.920 1.976 ( -3.601 -3.747 -8.530) 9.989 2.038 ( 0.732 0.104 4.350) 4.413 2.191 ( 0.150 0.879 2.771) 2.911 2.301 ( 7.120 -1.020 -1.183) 7.289 2.334 ( -4.387 -0.884 -6.204) 7.650 2.456 ( -1.253 -0.221 10.825) 10.900 2.624 ( 3.163 -8.682 -5.710) 10.862 2.741 ( -1.601 -1.781 -2.647) 3.570 2.852 ( -9.512 1.163 -0.583) 9.601 2.930 ( -1.480 0.999 0.742) 1.933 3.043 ( 1.724 -9.541 2.600) 10.038 3.181 ( -6.275 -10.301 8.259) 14.619 3.362 ( -3.692 -0.073 8.936) 9.669 3.554 ( 3.421 -4.401 -0.651) 5.612 3.668 ( -5.897 -4.275 2.733) 7.779 3.728 ( -2.895 -1.685 -2.316) 4.073 3.844 ( 0.745 -2.772 -4.522) 5.356 3.923 ( 2.542 -2.440 1.338) 3.769 3.954 ( -0.990 -5.612 -5.509) 7.926 4.023 ( -3.963 1.030 -2.502) 4.799 4.209 ( -2.865 -7.560 2.511) 8.465 4.398 ( -2.410 6.192 1.243) 6.760 4.644 ( -2.046 -0.026 10.349) 10.549 4.671 ( 7.805 0.092 -0.745) 7.841 4.784 ( 3.455 3.500 -3.963) 6.316 4.913 ( 1.499 -1.768 -2.428) 3.357 4.998 ( 2.791 -0.852 -5.480) 6.209 5.051 ( 0.119 -0.499 -1.693) 1.769 5.269 ( -0.600 2.587 -0.821) 2.780 5.430 ( 3.619 2.471 -2.915) 5.263 5.465 ( 0.389 2.599 -5.696) 6.273 5.644 ( -2.451 4.984 1.373) 5.721 5.978 ( -0.313 -0.240 0.205) 0.445 6.134 ( -1.126 7.462 5.158) 9.141 6.457 ( 2.117 -8.613 1.883) 9.067 6.656 ( 4.965 2.161 -6.041) 8.113 6.776 ( 7.450 0.785 0.861) 7.541 6.796 ( 9.050 2.742 4.177) 10.338 6.998 ( -6.455 7.783 -0.049) 10.112 7.099 ( -4.436 -1.479 0.940) 4.770 7.300 ( -0.596 2.693 0.172) 2.764 7.500 ( -3.804 5.207 -2.547) 6.933 7.620 ( -5.511 4.295 2.996) 7.603 8.248 ( -4.217 -5.979 -3.889) 8.286 8.355 ( -4.538 -0.803 3.426) 5.742 8.597 ( 3.258 2.928 -0.494) 4.408 9.158 ( -1.522 7.438 3.407) 8.321 9.453 ( 2.405 5.368 -3.332) 6.760 9.480 ( 3.960 8.670 0.991) 9.583 9.773 ( -2.541 6.673 -0.997) 7.209 9.896 ( -1.228 5.150 1.063) 5.400 10.261 ( -0.660 -0.069 1.205) 1.375 10.452 ( 2.691 -0.398 1.833) 3.280 10.539 ( -0.910 -5.602 -2.418) 6.169 10.729 ( 0.559 -1.823 -1.849) 2.656 11.549 ( -0.563 -0.565 1.930) 2.088 11.708 ( 1.515 0.046 -0.104) 1.519 12.070 ( 1.856 0.924 -2.849) 3.523 12.131 ( 0.666 0.212 0.243) 0.740 13.134 ( -1.223 -5.086 0.733) 5.282 13.549 ( 2.327 -0.291 -6.605) 7.009 13.813 ( -2.498 0.294 7.424) 7.838 14.304 ( 2.129 3.105 -2.560) 4.553 15.914 ( -0.053 1.017 -0.258) 1.051 16.162 ( 3.128 4.134 -2.738) 5.863 16.281 ( 1.709 2.120 0.127) 2.726 16.343 ( 0.597 -0.070 -0.061) 0.605 16.572 ( -0.054 0.648 -0.809) 1.037 16.639 ( -1.830 -2.136 0.265) 2.825 16.710 ( 0.093 -4.326 0.980) 4.436 16.816 ( 0.117 -0.609 0.688) 0.926 17.248 ( -2.195 0.085 5.605) 6.020 17.291 ( -0.975 2.438 0.468) 2.667 17.443 ( -0.527 -4.417 -0.312) 4.459 17.529 ( 0.280 -2.601 0.269) 2.629 27.668 ( 0.222 -0.303 -1.817) 1.856 27.696 ( 0.245 -1.939 -1.067) 2.227 27.765 ( -0.418 -0.638 3.672) 3.750 27.782 ( -0.217 0.641 -0.659) 0.944 28.966 ( -1.031 12.420 0.151) 12.464 29.270 ( 0.840 4.671 -3.692) 6.013 29.337 ( 0.733 -0.600 -2.719) 2.879 29.422 ( 1.110 2.315 -0.675) 2.655 29.588 ( -3.559 -11.410 -6.141) 13.438 29.656 ( -0.161 -3.209 0.238) 3.221 29.827 ( -0.373 1.387 -0.841) 1.664 29.916 ( -0.723 -2.124 0.111) 2.247 30.460 ( -5.402 -4.242 17.354) 18.664 31.067 ( 8.179 -1.911 -2.483) 8.758 31.612 ( -4.899 -0.607 3.582) 6.099 32.232 ( 7.305 8.020 -6.793) 12.799 ======================= Grid point 117 (52/140) ======================= q-point: ( 0.56 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 4.336 -6.638 -10.304) 13.001 1.793 ( 1.456 -3.381 -4.886) 6.117 1.866 ( 3.118 -5.025 0.472) 5.933 1.948 ( -1.985 -3.660 -7.590) 8.657 1.996 ( 2.300 -0.487 8.314) 8.640 2.048 ( 4.746 0.888 -2.171) 5.294 2.069 ( -4.061 -10.321 5.309) 12.296 2.214 ( -4.762 -0.235 6.502) 8.063 2.286 ( -3.685 -6.884 -5.085) 9.318 2.368 ( 5.803 1.126 -2.767) 6.527 2.501 ( 2.049 2.277 10.105) 10.559 2.690 ( -6.707 -2.102 -6.909) 9.856 2.806 ( -0.876 -7.008 1.382) 7.196 2.839 ( 4.954 -5.713 -0.285) 7.568 2.985 ( -0.466 -9.379 1.063) 9.451 3.279 ( 0.259 -12.110 0.015) 12.113 3.329 ( -2.131 -1.786 4.901) 5.635 3.393 ( -5.253 -9.505 8.802) 13.979 3.586 ( -2.292 -0.100 -2.114) 3.120 3.700 ( -5.660 -6.745 -2.442) 9.138 3.819 ( -3.431 -8.235 -2.699) 9.321 3.908 ( -0.701 -1.202 -7.155) 7.289 3.952 ( 3.735 -10.222 -2.818) 11.242 4.003 ( 0.898 -4.901 -3.401) 6.032 4.116 ( 1.962 -8.575 3.759) 9.566 4.262 ( -2.349 5.782 0.598) 6.269 4.380 ( 2.710 -10.294 -0.535) 10.658 4.663 ( -2.053 2.067 8.663) 9.140 4.700 ( -1.291 1.214 1.325) 2.213 4.735 ( 3.045 1.898 -0.699) 3.656 4.933 ( -0.300 2.999 -1.359) 3.306 4.983 ( 1.844 -2.746 1.157) 3.504 5.098 ( 2.409 -3.737 -5.597) 7.148 5.210 ( 2.393 4.403 -2.192) 5.470 5.346 ( 3.796 2.345 -6.734) 8.078 5.465 ( 0.259 0.321 0.424) 0.592 5.535 ( -3.511 4.978 0.647) 6.126 5.948 ( -1.773 5.272 5.404) 7.755 6.077 ( 0.109 0.039 1.431) 1.436 6.542 ( 3.783 0.139 -7.833) 8.700 6.654 ( 3.002 6.515 1.920) 7.426 6.763 ( 5.132 2.825 1.194) 5.978 6.811 ( 2.048 3.079 -0.227) 3.705 6.863 ( 2.329 3.337 1.581) 4.366 7.054 ( -12.468 -0.823 0.579) 12.509 7.214 ( -0.528 7.873 0.438) 7.903 7.322 ( -3.471 9.396 -5.308) 11.336 7.526 ( -1.207 5.280 3.726) 6.574 8.338 ( -0.379 -6.416 -0.438) 6.442 8.398 ( 1.281 -2.015 5.898) 6.363 8.551 ( 3.327 3.815 -2.266) 5.546 8.971 ( -3.735 14.274 3.865) 15.252 9.317 ( -0.808 9.676 -2.322) 9.984 9.324 ( 1.038 9.363 -2.178) 9.669 9.655 ( 1.778 7.088 0.171) 7.310 9.794 ( -1.907 5.262 0.292) 5.604 10.274 ( -0.449 -0.181 1.960) 2.019 10.502 ( 3.237 -1.569 2.353) 4.298 10.569 ( -1.806 -0.298 -2.487) 3.088 10.763 ( 0.821 -2.326 -1.616) 2.949 11.563 ( -0.968 -0.647 1.938) 2.261 11.724 ( 1.471 -0.114 1.946) 2.442 12.044 ( 0.855 1.834 -3.386) 3.945 12.124 ( 0.186 0.861 -0.574) 1.051 13.243 ( -0.622 -8.230 0.254) 8.257 13.549 ( 1.723 -1.705 -6.033) 6.501 13.822 ( -2.036 0.339 6.238) 6.570 14.232 ( 1.595 5.737 -2.419) 6.427 15.896 ( 0.253 1.184 0.324) 1.253 16.091 ( 1.614 4.531 -2.029) 5.221 16.267 ( 0.744 1.545 0.935) 1.953 16.338 ( -0.032 0.704 -0.116) 0.715 16.568 ( 0.595 -0.065 -0.010) 0.599 16.657 ( -2.027 -1.683 0.246) 2.646 16.792 ( 0.330 -4.831 -0.801) 4.908 16.834 ( 0.788 -1.334 -0.643) 1.678 17.247 ( -0.929 2.039 0.935) 2.428 17.262 ( -1.999 -0.406 5.028) 5.426 17.514 ( -0.103 -4.377 -0.481) 4.405 17.588 ( 0.168 -3.226 1.670) 3.636 27.672 ( 0.018 -1.065 -1.584) 1.909 27.717 ( -1.317 -2.130 -3.237) 4.092 27.770 ( 0.570 0.913 1.412) 1.775 27.800 ( 0.453 -1.363 3.289) 3.589 28.792 ( -0.181 8.121 0.913) 8.174 29.158 ( 1.459 6.203 -6.483) 9.090 29.286 ( -0.458 2.923 -4.478) 5.367 29.368 ( -1.022 2.623 -4.205) 5.060 29.649 ( -1.442 -0.183 -2.247) 2.677 29.761 ( -2.551 -6.411 2.579) 7.366 29.801 ( -0.721 -2.023 -4.058) 4.591 29.978 ( 2.948 -3.362 4.439) 6.301 30.619 ( -3.736 -9.604 15.384) 18.517 31.165 ( 7.681 -2.698 -0.890) 8.190 31.587 ( -5.502 1.155 2.981) 6.364 32.083 ( 4.739 11.169 -6.084) 13.572 ======================= Grid point 118 (53/140) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.638 -6.815 -4.870) 8.401 1.819 ( 1.661 1.782 -0.715) 2.539 1.901 ( -5.413 5.450 2.159) 7.979 1.952 ( 0.999 0.513 1.078) 1.557 1.986 ( -1.617 -4.686 -3.981) 6.357 2.068 ( 0.811 -0.905 0.864) 1.491 2.191 ( 1.074 -2.425 7.396) 7.857 2.272 ( -2.217 -6.316 -2.767) 7.243 2.336 ( 4.515 2.652 0.877) 5.309 2.389 ( -2.304 -6.201 0.160) 6.618 2.520 ( 3.719 1.135 3.359) 5.138 2.636 ( -5.934 -2.956 -6.356) 9.184 2.936 ( 0.769 -5.736 2.407) 6.268 2.996 ( 3.750 -6.585 2.722) 8.051 3.181 ( 1.280 -9.999 -0.002) 10.081 3.244 ( -5.278 1.376 -2.021) 5.817 3.450 ( 0.965 -0.103 0.436) 1.064 3.541 ( -4.161 -5.967 5.441) 9.084 3.602 ( 0.510 -3.775 0.748) 3.882 3.755 ( -1.606 -6.938 -4.173) 8.254 3.842 ( 0.374 0.260 -7.927) 7.940 3.936 ( -8.541 -10.520 -5.735) 14.714 4.068 ( 1.988 -6.904 -3.227) 7.876 4.103 ( 2.551 0.031 1.111) 2.782 4.269 ( 0.898 -5.078 1.200) 5.295 4.371 ( 2.300 -16.791 -0.157) 16.949 4.532 ( 2.629 -5.837 -1.170) 6.508 4.585 ( -6.058 4.319 -0.661) 7.469 4.642 ( -2.466 2.913 10.508) 11.179 4.842 ( 1.461 -5.516 -0.022) 5.706 4.878 ( 2.407 0.028 -0.028) 2.407 5.042 ( 1.882 -3.196 -0.177) 3.713 5.156 ( 1.862 -3.146 -1.483) 3.945 5.192 ( 1.830 -2.081 -1.149) 3.000 5.359 ( 2.410 0.287 -0.728) 2.534 5.398 ( -1.314 3.251 -2.677) 4.412 5.500 ( -0.404 -0.604 1.004) 1.240 5.856 ( -3.517 6.100 7.694) 10.429 6.114 ( 2.652 -1.785 -0.326) 3.213 6.489 ( 0.118 10.501 1.411) 10.596 6.506 ( 3.139 2.021 -8.840) 9.596 6.724 ( 3.480 7.236 -0.586) 8.051 6.786 ( -0.274 5.030 -3.301) 6.022 6.846 ( 4.538 4.239 -1.266) 6.337 6.982 ( -11.427 -3.525 1.526) 12.055 7.061 ( -1.019 10.014 4.411) 10.989 7.126 ( -1.103 7.498 -2.888) 8.110 7.472 ( 0.870 2.196 1.729) 2.927 8.379 ( -2.546 2.809 1.329) 4.018 8.441 ( 1.805 2.172 5.312) 6.017 8.533 ( 8.240 3.525 -4.995) 10.260 8.767 ( -3.190 3.482 5.692) 7.396 9.151 ( -4.451 5.547 -2.848) 7.661 9.201 ( 2.824 6.176 -1.618) 6.981 9.553 ( 0.945 6.375 0.056) 6.445 9.702 ( -1.634 4.191 -0.682) 4.550 10.269 ( -1.237 1.312 2.787) 3.320 10.498 ( -5.267 3.440 -1.934) 6.581 10.574 ( 6.046 -0.853 1.968) 6.415 10.798 ( 1.173 -1.902 -1.902) 2.934 11.573 ( -0.721 -0.363 1.923) 2.085 11.754 ( 1.377 -0.323 3.929) 4.176 11.990 ( -0.303 2.434 -4.568) 5.185 12.105 ( 0.177 1.238 -0.413) 1.317 13.379 ( -0.048 -7.862 -0.049) 7.862 13.573 ( 0.851 -2.491 -3.758) 4.588 13.836 ( -1.178 -0.899 3.729) 4.013 14.123 ( 1.226 7.286 -2.024) 7.660 15.886 ( 0.486 0.629 0.615) 1.005 16.029 ( 0.265 2.651 -1.995) 3.328 16.244 ( -0.984 1.775 1.436) 2.486 16.323 ( -0.091 0.917 -0.254) 0.955 16.582 ( 0.977 -0.528 0.835) 1.390 16.665 ( -2.341 -1.331 0.125) 2.696 16.860 ( 0.336 -3.871 -2.163) 4.447 16.865 ( 2.319 -1.316 -1.868) 3.256 17.212 ( -0.666 2.353 2.443) 3.457 17.283 ( -2.320 -1.407 4.070) 4.892 17.576 ( 0.327 -3.058 -0.118) 3.078 17.641 ( -0.131 -2.132 1.234) 2.467 27.685 ( -0.106 -1.109 -0.740) 1.338 27.715 ( -1.282 -0.793 -2.647) 3.046 27.772 ( 0.312 0.188 0.940) 1.008 27.845 ( 0.576 -1.699 1.953) 2.651 28.707 ( 1.655 3.799 2.505) 4.842 29.046 ( 1.130 4.500 -5.751) 7.389 29.200 ( -1.988 3.075 -6.250) 7.243 29.306 ( -0.540 1.367 -3.201) 3.523 29.581 ( -3.724 3.091 -4.151) 6.377 29.789 ( -1.545 0.670 8.112) 8.285 29.859 ( -1.550 -4.891 -4.501) 6.826 30.120 ( 6.932 -5.563 6.585) 11.061 30.843 ( 0.021 -10.450 10.405) 14.747 31.244 ( 2.159 -1.562 -2.028) 3.349 31.503 ( -1.723 6.359 2.221) 6.953 31.913 ( -0.033 7.503 -5.346) 9.213 ======================= Grid point 119 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -5.349 11.121 5.582) 13.544 1.787 ( -2.916 5.176 -3.054) 6.680 1.882 ( 2.198 -2.109 4.190) 5.180 1.933 ( 1.858 1.893 1.518) 3.056 2.062 ( 1.296 1.537 -0.386) 2.047 2.086 ( 1.017 -7.209 -2.380) 7.659 2.207 ( -2.870 3.670 1.907) 5.034 2.296 ( 0.715 -3.544 3.120) 4.776 2.418 ( -2.469 -1.148 -0.819) 2.844 2.433 ( -5.172 -6.205 -0.540) 8.096 2.556 ( 4.919 -1.305 -1.736) 5.377 2.691 ( 2.273 -8.271 -3.004) 9.088 2.981 ( -4.876 1.319 3.178) 5.968 3.101 ( 0.972 -3.032 1.206) 3.405 3.209 ( 1.834 -1.601 -4.531) 5.144 3.284 ( 2.559 0.183 -1.763) 3.113 3.404 ( 1.631 3.673 -0.354) 4.034 3.564 ( -4.648 -0.144 5.480) 7.187 3.659 ( 0.724 -0.766 1.403) 1.755 3.809 ( 0.059 0.275 -3.311) 3.323 3.866 ( -1.624 -8.027 -2.095) 8.454 3.999 ( -10.456 -8.393 -4.963) 14.296 4.118 ( 3.628 -0.945 -1.161) 3.924 4.210 ( 5.497 -3.816 -2.401) 7.110 4.282 ( -1.377 0.432 -1.047) 1.783 4.476 ( 2.821 5.591 -1.399) 6.416 4.522 ( -6.422 0.641 5.622) 8.559 4.658 ( 1.748 0.238 3.887) 4.269 4.675 ( -0.368 -8.987 -3.538) 9.665 4.837 ( -1.484 -2.622 0.677) 3.087 5.023 ( 1.642 -4.664 -0.768) 5.004 5.142 ( 3.133 -3.690 2.040) 5.253 5.217 ( -1.587 -0.757 4.405) 4.743 5.247 ( 1.840 -4.279 -0.415) 4.676 5.303 ( 2.145 1.383 -3.761) 4.545 5.388 ( 0.830 0.101 -0.908) 1.235 5.511 ( 0.448 0.801 1.974) 2.177 5.787 ( -5.945 1.899 6.675) 9.139 6.160 ( 5.096 -0.438 -0.717) 5.164 6.364 ( -0.552 4.623 -0.711) 4.710 6.438 ( 2.031 3.771 -8.306) 9.345 6.601 ( 1.008 10.485 -0.841) 10.567 6.663 ( -1.459 0.882 -6.170) 6.401 6.775 ( 6.405 5.798 -1.842) 8.834 6.941 ( -7.782 2.443 7.109) 10.820 6.965 ( -1.645 -0.369 -1.334) 2.150 7.074 ( 2.017 0.785 2.124) 3.032 7.502 ( -1.020 -5.431 -1.498) 5.725 8.219 ( 2.387 14.503 5.887) 15.833 8.425 ( -5.183 -3.621 -0.296) 6.330 8.580 ( 8.204 -2.320 -2.164) 8.796 8.845 ( 2.428 -6.124 4.394) 7.919 9.048 ( -4.523 1.621 -1.291) 4.975 9.128 ( 0.001 2.475 -5.518) 6.048 9.485 ( 0.620 2.473 2.370) 3.480 9.621 ( -1.703 3.197 -1.368) 3.872 10.247 ( -1.825 1.373 3.125) 3.870 10.373 ( -5.720 4.658 -0.696) 7.409 10.644 ( 5.788 -0.824 1.137) 5.956 10.824 ( 1.446 -1.264 -2.520) 3.168 11.582 ( -0.188 0.043 1.955) 1.964 11.789 ( 1.005 -0.160 4.130) 4.253 11.923 ( -0.485 2.291 -4.384) 4.971 12.085 ( 0.241 1.094 -0.295) 1.158 13.487 ( 0.297 -4.823 0.301) 4.841 13.586 ( -0.338 0.304 -1.114) 1.203 13.882 ( -0.134 -3.982 0.410) 4.005 14.003 ( 1.260 6.852 -1.351) 7.096 15.887 ( 0.572 0.162 0.558) 0.816 15.987 ( -0.649 0.995 -2.263) 2.556 16.211 ( -1.693 1.764 1.837) 3.057 16.307 ( 0.109 0.776 -0.101) 0.790 16.606 ( 0.930 -0.705 1.338) 1.775 16.668 ( -2.336 -1.255 0.325) 2.672 16.885 ( 3.069 0.218 -2.983) 4.286 16.906 ( 0.621 -2.758 -2.890) 4.043 17.182 ( -0.960 2.452 4.351) 5.085 17.306 ( -2.443 -1.507 2.716) 3.952 17.617 ( 0.602 -1.403 0.130) 1.532 17.665 ( -0.466 -0.613 -0.103) 0.776 27.690 ( -0.195 0.359 -0.221) 0.465 27.709 ( -0.385 -0.484 -0.063) 0.622 27.774 ( -0.277 -0.280 -0.556) 0.681 27.878 ( 0.285 -1.121 0.134) 1.165 28.715 ( 3.684 0.094 4.405) 5.744 28.981 ( 0.617 1.583 -2.946) 3.401 29.103 ( -3.205 1.751 -7.247) 8.115 29.288 ( 0.755 -0.437 -1.301) 1.566 29.477 ( -4.759 2.834 -2.313) 6.003 29.802 ( -1.751 1.537 9.387) 9.672 29.889 ( -1.267 -3.193 -4.584) 5.728 30.329 ( 10.226 -7.540 6.546) 14.292 31.019 ( 1.596 -3.633 1.868) 4.386 31.150 ( -6.821 7.089 -2.162) 10.073 31.473 ( 6.385 0.459 3.435) 7.265 31.780 ( -4.555 3.847 -5.226) 7.928 ======================= Grid point 120 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.572 11.665 7.831) 14.137 1.649 ( 3.041 10.598 4.300) 11.835 1.883 ( 1.536 2.834 1.153) 3.424 1.966 ( 1.261 0.414 0.635) 1.472 2.040 ( 2.110 0.867 1.979) 3.020 2.154 ( -0.998 1.372 0.029) 1.697 2.185 ( -1.011 -3.382 -1.448) 3.816 2.311 ( -8.217 -2.623 -0.815) 8.664 2.372 ( -1.201 2.405 -3.341) 4.288 2.494 ( -2.942 -3.505 1.535) 4.826 2.631 ( 3.122 -3.038 0.209) 4.362 2.816 ( 3.742 -1.950 -3.525) 5.498 2.901 ( -6.811 0.309 1.184) 6.920 3.151 ( 1.454 0.112 3.977) 4.235 3.201 ( 1.712 1.379 -3.365) 4.019 3.242 ( 3.757 3.119 -3.112) 5.790 3.413 ( 2.707 1.485 1.438) 3.406 3.548 ( -3.308 2.329 7.692) 8.691 3.646 ( -1.260 2.771 4.225) 5.207 3.785 ( -0.247 2.437 0.988) 2.642 3.927 ( -2.984 -1.279 -4.519) 5.564 3.991 ( -10.837 -6.281 -3.331) 12.961 4.141 ( 1.510 3.722 1.748) 4.381 4.256 ( 5.073 -3.068 2.091) 6.286 4.309 ( 6.676 0.568 -6.014) 9.004 4.393 ( 3.066 7.444 -1.129) 8.130 4.448 ( -4.288 4.473 2.156) 6.560 4.579 ( -2.710 8.390 3.344) 9.430 4.757 ( 2.553 0.265 -5.745) 6.293 4.853 ( -1.657 0.465 2.071) 2.693 4.998 ( -3.370 3.291 -1.726) 5.016 5.138 ( 0.366 2.764 -0.526) 2.837 5.224 ( -1.602 1.610 -3.070) 3.819 5.275 ( 5.105 5.792 4.894) 9.141 5.337 ( 3.786 -2.476 -5.249) 6.930 5.451 ( -0.271 -5.299 0.393) 5.321 5.517 ( -2.080 -2.873 4.799) 5.967 5.750 ( -6.092 0.042 4.448) 7.543 6.191 ( 4.773 1.198 -3.534) 6.058 6.325 ( 0.261 -0.366 -0.173) 0.482 6.363 ( 3.945 3.308 -6.432) 8.239 6.473 ( 4.028 3.786 -3.122) 6.349 6.652 ( -1.215 -2.597 -0.833) 2.986 6.809 ( 2.265 -5.180 -2.849) 6.331 6.904 ( -2.306 1.061 3.078) 3.990 7.003 ( -1.446 -6.637 2.911) 7.390 7.140 ( 2.546 -5.582 3.692) 7.160 7.575 ( -6.828 -7.498 -4.572) 11.124 8.091 ( 4.286 7.475 8.015) 11.768 8.482 ( -4.297 -8.960 -5.071) 11.156 8.693 ( 7.250 -3.823 2.243) 8.498 8.937 ( -4.322 0.741 -4.871) 6.554 9.057 ( 3.142 -7.850 3.189) 9.037 9.086 ( -4.218 -3.785 -4.272) 7.097 9.494 ( -2.054 -1.005 1.696) 2.847 9.585 ( 1.718 -1.048 0.945) 2.223 10.217 ( -2.769 2.181 1.562) 3.855 10.284 ( -3.059 1.023 2.162) 3.883 10.700 ( 4.908 -0.183 0.291) 4.920 10.836 ( 1.146 -0.513 -3.133) 3.375 11.587 ( -0.039 0.399 1.621) 1.670 11.798 ( -0.252 0.952 -1.466) 1.766 11.889 ( 1.458 0.620 1.651) 2.289 12.070 ( 0.605 0.800 -0.659) 1.200 13.524 ( -0.843 3.055 0.185) 3.175 13.558 ( 0.849 0.135 0.189) 0.880 13.879 ( -0.578 4.288 -0.467) 4.352 13.997 ( 1.801 -5.678 -1.400) 6.118 15.894 ( 0.572 -0.197 0.333) 0.691 15.965 ( -0.564 -0.274 -2.074) 2.167 16.181 ( -1.101 1.563 1.937) 2.722 16.301 ( 0.512 0.255 0.124) 0.585 16.629 ( -0.124 -0.561 1.807) 1.896 16.671 ( -2.012 -0.933 0.102) 2.220 16.876 ( 3.305 2.032 -3.161) 5.004 16.928 ( 0.649 -0.786 -3.216) 3.374 17.161 ( -1.257 1.874 5.935) 6.349 17.318 ( -2.663 -1.070 1.574) 3.273 17.631 ( 0.283 0.234 -0.376) 0.526 17.654 ( -0.463 0.938 -1.155) 1.559 27.675 ( 0.465 1.763 1.407) 2.303 27.716 ( -0.384 -0.282 1.005) 1.112 27.772 ( -0.278 -0.355 -1.406) 1.476 27.885 ( -0.190 -0.121 -1.539) 1.556 28.790 ( 3.644 -2.142 4.506) 6.179 28.968 ( -0.507 -1.094 -2.305) 2.601 29.045 ( -1.376 -1.141 -2.860) 3.373 29.309 ( 0.546 -1.761 -2.662) 3.238 29.413 ( -2.957 0.514 3.255) 4.427 29.799 ( -1.770 2.568 9.356) 9.863 29.907 ( -1.689 -3.186 -4.930) 6.108 30.576 ( 11.279 -6.964 1.941) 13.397 30.846 ( -8.783 9.107 -3.345) 13.087 31.135 ( 3.497 1.161 1.709) 4.062 31.533 ( 1.748 -0.003 -2.866) 3.357 31.668 ( -2.054 1.943 -0.922) 2.973 ======================= Grid point 125 (56/140) ======================= q-point: ( 0.44 0.44 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 7.523 -0.000 -10.545) 12.954 1.543 ( -1.536 0.000 -8.228) 8.370 1.776 ( -5.387 0.000 -16.332) 17.197 1.827 ( 1.268 -0.000 2.207) 2.545 1.841 ( 5.581 -0.000 4.479) 7.157 1.902 ( -1.107 0.000 6.442) 6.537 2.113 ( 6.872 -0.000 4.867) 8.421 2.214 ( -1.972 0.000 -4.248) 4.683 2.293 ( 1.897 -0.000 -4.954) 5.305 2.331 ( 3.387 -0.000 4.182) 5.382 2.506 ( 0.291 -0.000 7.775) 7.781 2.542 ( 3.666 -0.000 1.462) 3.947 2.654 ( -8.751 0.000 -4.618) 9.895 2.797 ( -6.566 0.000 -3.125) 7.272 2.882 ( 2.317 -0.000 -2.563) 3.455 3.050 ( -3.593 0.000 1.424) 3.865 3.110 ( 0.679 -0.000 16.174) 16.188 3.371 ( -5.131 0.000 7.448) 9.045 3.531 ( 4.836 -0.000 -9.231) 10.421 3.576 ( -5.787 0.000 0.789) 5.841 3.657 ( -7.206 0.000 -3.001) 7.806 3.844 ( -1.083 0.000 0.383) 1.148 3.857 ( 1.401 -0.000 -1.795) 2.277 3.946 ( 4.637 -0.000 0.098) 4.638 3.999 ( 0.002 -0.000 -4.183) 4.183 4.121 ( -5.254 0.000 5.132) 7.344 4.424 ( -4.300 0.000 -1.352) 4.508 4.668 ( -5.542 0.000 12.364) 13.549 4.718 ( 8.469 -0.000 -5.515) 10.107 4.851 ( 5.076 -0.000 -1.427) 5.272 4.905 ( 3.224 -0.000 -6.520) 7.273 4.971 ( 3.097 -0.000 2.045) 3.711 5.063 ( -0.353 0.000 -1.793) 1.828 5.273 ( 0.062 -0.000 -1.352) 1.354 5.458 ( 2.923 -0.000 0.492) 2.964 5.479 ( 2.596 -0.000 -11.959) 12.237 5.681 ( -3.208 0.000 3.089) 4.454 5.971 ( 1.502 -0.000 -2.939) 3.300 6.287 ( -9.968 0.000 7.360) 12.391 6.303 ( 4.009 -0.000 0.710) 4.071 6.685 ( 5.336 -0.000 -5.304) 7.523 6.827 ( 4.482 -0.000 1.752) 4.812 6.926 ( 9.509 -0.000 2.968) 9.961 7.020 ( -9.544 0.000 0.595) 9.562 7.035 ( -4.628 0.000 -0.554) 4.661 7.325 ( -0.823 0.000 -1.690) 1.879 7.500 ( -2.542 0.000 -3.701) 4.490 7.626 ( -3.797 0.000 1.095) 3.952 8.177 ( 2.712 -0.000 1.513) 3.105 8.344 ( -1.788 0.000 8.033) 8.230 8.643 ( 1.338 -0.000 -0.794) 1.556 9.232 ( -1.424 0.000 3.272) 3.568 9.504 ( 2.788 -0.000 -3.080) 4.154 9.573 ( -0.091 0.000 -3.983) 3.984 9.808 ( -1.120 0.000 1.338) 1.745 9.951 ( -0.150 0.000 1.061) 1.071 10.256 ( -2.426 0.000 1.424) 2.813 10.466 ( -0.839 0.000 1.453) 1.678 10.474 ( 3.768 -0.000 -1.587) 4.088 10.710 ( 1.035 -0.000 -1.771) 2.051 11.551 ( -0.564 0.000 2.368) 2.434 11.723 ( 1.507 -0.000 0.828) 1.719 12.078 ( 1.895 -0.000 -3.273) 3.782 12.130 ( -0.625 0.000 -0.896) 1.093 13.086 ( -0.987 0.000 0.984) 1.394 13.527 ( 1.664 -0.000 -7.655) 7.834 13.834 ( -2.505 0.000 8.004) 8.387 14.333 ( 1.837 -0.000 -2.774) 3.327 15.926 ( 0.502 -0.000 0.531) 0.731 16.214 ( 3.639 -0.000 -3.424) 4.996 16.310 ( -0.295 0.000 0.086) 0.307 16.344 ( 0.850 -0.000 -0.113) 0.857 16.580 ( -0.128 0.000 -0.291) 0.318 16.602 ( 0.061 -0.000 -0.836) 0.838 16.677 ( -0.951 0.000 2.099) 2.304 16.815 ( -0.290 0.000 1.031) 1.071 17.257 ( -3.159 0.000 5.771) 6.579 17.315 ( -0.910 0.000 0.697) 1.146 17.390 ( -0.133 0.000 -0.664) 0.677 17.513 ( 1.026 -0.000 0.881) 1.353 27.654 ( 0.540 -0.000 -3.788) 3.827 27.670 ( -1.186 0.000 -1.089) 1.610 27.774 ( -0.524 0.000 3.712) 3.749 27.792 ( 0.955 -0.000 1.145) 1.491 29.161 ( -0.290 0.000 0.165) 0.334 29.233 ( 0.581 -0.000 -0.386) 0.697 29.318 ( -0.354 0.000 -0.972) 1.035 29.398 ( 0.532 -0.000 -13.985) 13.996 29.416 ( -3.665 0.000 -6.969) 7.874 29.619 ( -0.477 0.000 -2.637) 2.680 29.837 ( -0.993 0.000 1.543) 1.835 29.914 ( 1.533 -0.000 3.347) 3.681 30.484 ( -4.706 0.000 19.979) 20.525 31.115 ( 8.495 -0.000 1.590) 8.643 31.581 ( -5.603 0.000 3.042) 6.375 32.319 ( 6.082 -0.000 -7.356) 9.545 ======================= Grid point 126 (57/140) ======================= q-point: (-0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 6.922 -7.470 -8.274) 13.121 1.617 ( -7.582 -9.010 -10.026) 15.466 1.721 ( 2.526 -8.900 -12.735) 15.741 1.827 ( -8.658 -3.435 -1.368) 9.414 1.916 ( -0.263 -3.214 7.190) 7.880 2.002 ( 1.211 -5.201 7.277) 9.026 2.155 ( 2.925 0.934 -2.874) 4.206 2.172 ( 2.051 1.199 -3.392) 4.141 2.254 ( 0.066 2.226 4.863) 5.349 2.416 ( 5.602 -0.379 0.908) 5.688 2.528 ( -3.299 -1.926 4.850) 6.173 2.585 ( -5.815 -1.564 -3.265) 6.850 2.674 ( 5.988 -7.883 -1.524) 10.016 2.786 ( -0.286 -4.725 -0.716) 4.787 2.941 ( 3.869 -0.496 -1.139) 4.063 3.053 ( -3.128 -9.764 -1.203) 10.323 3.241 ( -3.448 -6.648 15.407) 17.130 3.343 ( -7.481 1.233 5.618) 9.437 3.496 ( -3.533 -2.682 -9.194) 10.208 3.574 ( -5.227 -2.547 -0.644) 5.850 3.669 ( -0.979 -5.737 -2.231) 6.232 3.834 ( 1.497 -2.533 -3.193) 4.342 3.892 ( 0.738 -1.199 -1.680) 2.192 3.976 ( 3.598 1.041 -0.311) 3.759 4.032 ( 3.451 -5.275 0.767) 6.350 4.209 ( 0.027 -9.997 2.575) 10.323 4.335 ( -3.694 4.868 -1.672) 6.336 4.676 ( -6.399 -0.030 10.682) 12.452 4.730 ( 2.633 2.064 -4.640) 5.720 4.844 ( 6.016 3.481 -4.282) 8.163 4.930 ( 1.082 -2.069 2.001) 3.074 5.005 ( 2.128 1.996 -0.593) 2.977 5.056 ( 2.462 -1.552 -0.007) 2.911 5.271 ( 2.287 1.167 -1.454) 2.951 5.388 ( 3.329 5.060 -13.997) 15.251 5.473 ( 0.952 0.468 1.907) 2.182 5.620 ( -2.783 5.461 1.032) 6.216 5.975 ( 1.051 -0.895 -1.591) 2.107 6.138 ( -5.533 5.958 6.056) 10.138 6.452 ( -1.702 -8.301 -3.700) 9.246 6.711 ( 5.424 -0.467 -0.659) 5.483 6.855 ( 0.412 0.571 2.482) 2.580 6.875 ( -8.375 7.214 0.992) 11.098 6.958 ( 2.879 3.749 0.615) 4.767 7.009 ( 0.625 1.513 -0.074) 1.639 7.265 ( -3.631 1.916 -5.700) 7.024 7.425 ( 0.364 6.617 -1.935) 6.903 7.589 ( -1.849 2.231 1.275) 3.166 8.280 ( 6.343 -3.816 5.155) 9.020 8.410 ( 2.260 -1.991 10.182) 10.618 8.612 ( -0.188 2.553 -1.778) 3.117 9.163 ( -2.313 8.098 3.436) 9.096 9.431 ( -5.555 9.098 -8.224) 13.464 9.466 ( 2.868 5.880 -2.197) 6.901 9.783 ( 2.656 5.138 2.336) 6.238 9.887 ( -0.886 6.659 0.671) 6.751 10.261 ( -0.970 -1.427 1.880) 2.552 10.478 ( -1.693 -1.198 1.117) 2.356 10.543 ( 3.469 -3.915 -0.625) 5.268 10.728 ( 1.419 -1.779 -1.526) 2.741 11.560 ( -0.719 -0.251 2.681) 2.787 11.742 ( 1.353 -0.267 2.132) 2.540 12.063 ( 1.198 1.498 -3.529) 4.017 12.118 ( -1.087 -0.315 -1.895) 2.207 13.127 ( -0.507 -5.029 0.812) 5.119 13.507 ( 1.535 -0.828 -7.758) 7.952 13.847 ( -2.583 0.593 7.561) 8.012 14.306 ( 1.404 3.120 -2.817) 4.432 15.925 ( 0.794 1.213 1.137) 1.842 16.174 ( 1.758 4.839 -3.122) 6.021 16.297 ( -0.096 1.187 0.408) 1.259 16.346 ( -0.055 0.360 -0.104) 0.379 16.579 ( 1.334 0.315 0.094) 1.374 16.613 ( -0.979 -1.475 -0.952) 2.010 16.715 ( -0.693 -3.942 0.971) 4.118 16.822 ( 0.108 -0.689 0.563) 0.896 17.253 ( -3.749 0.225 5.138) 6.364 17.289 ( -0.224 1.837 0.986) 2.097 17.435 ( 0.028 -4.529 -0.242) 4.536 17.551 ( 0.941 -2.422 1.922) 3.232 27.647 ( 0.323 -0.742 -2.679) 2.799 27.661 ( -1.651 -1.312 -2.881) 3.570 27.789 ( -0.226 -0.021 2.914) 2.923 27.810 ( 1.337 -0.105 2.443) 2.787 28.967 ( 0.398 12.173 0.992) 12.220 29.240 ( 1.046 5.324 -5.452) 7.692 29.281 ( -0.918 1.348 -9.083) 9.228 29.336 ( -4.048 0.196 -9.126) 9.985 29.527 ( 2.232 -15.350 -3.085) 15.815 29.617 ( -2.362 -1.689 -3.277) 4.378 29.820 ( -1.885 1.849 3.317) 4.239 29.972 ( 3.374 -2.718 3.795) 5.760 30.574 ( -3.950 -3.581 20.267) 20.957 31.204 ( 7.310 -0.675 4.205) 8.461 31.552 ( -5.677 -0.605 1.493) 5.901 32.257 ( 4.640 8.242 -7.125) 11.842 ======================= Grid point 127 (58/140) ======================= q-point: (-0.33 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.214 -6.357 -5.487) 8.685 1.745 ( -0.228 -8.259 -2.265) 8.567 1.804 ( -9.988 -6.369 -1.824) 11.985 1.855 ( -1.203 -7.394 -5.401) 9.235 1.986 ( -2.086 0.315 1.259) 2.457 2.078 ( -2.134 -7.176 2.113) 7.779 2.152 ( 4.910 2.055 -0.171) 5.326 2.213 ( 2.235 -3.525 1.347) 4.386 2.306 ( 2.338 -2.598 5.540) 6.550 2.393 ( -3.400 2.448 -2.113) 4.693 2.507 ( 1.414 -1.733 -6.214) 6.605 2.645 ( 3.906 0.303 3.486) 5.244 2.826 ( 2.412 -6.524 -1.389) 7.093 2.911 ( 0.615 -9.188 1.379) 9.312 3.009 ( 4.009 -7.510 0.272) 8.517 3.212 ( -6.575 -3.492 -1.594) 7.613 3.321 ( -1.262 -9.967 -3.094) 10.512 3.419 ( -8.152 -10.219 13.448) 18.754 3.497 ( -4.685 -4.616 -3.820) 7.606 3.611 ( -1.118 -6.692 -0.965) 6.853 3.700 ( -4.658 -3.534 -5.481) 8.014 3.850 ( 1.173 -0.168 -5.226) 5.359 3.982 ( 2.206 -4.415 -2.108) 5.367 4.052 ( 7.105 -8.547 2.024) 11.297 4.169 ( 1.792 -7.744 -1.925) 8.179 4.240 ( -0.923 1.731 1.990) 2.795 4.401 ( 0.178 -8.480 2.755) 8.918 4.636 ( -4.267 4.744 0.043) 6.381 4.692 ( -2.447 -1.270 6.062) 6.660 4.821 ( 4.570 1.386 -4.154) 6.329 4.941 ( 1.870 3.118 3.868) 5.309 5.019 ( 2.662 -0.829 -2.022) 3.444 5.119 ( 3.387 -3.198 -1.142) 4.796 5.192 ( 0.377 4.176 -6.313) 7.579 5.344 ( 4.064 -1.264 -4.358) 6.092 5.471 ( -3.140 2.439 -0.894) 4.075 5.511 ( 1.424 3.923 3.473) 5.430 5.965 ( -3.183 4.683 6.429) 8.567 6.088 ( 0.399 -1.894 -0.743) 2.074 6.486 ( -0.868 -1.144 -8.070) 8.197 6.669 ( -3.669 9.863 2.948) 10.928 6.789 ( -5.081 -5.517 0.736) 7.536 6.846 ( -0.268 3.420 3.095) 4.621 6.866 ( -0.810 6.599 -3.961) 7.738 6.983 ( 4.971 4.972 1.859) 7.272 7.186 ( 1.859 2.278 -5.929) 6.618 7.272 ( 0.410 11.501 1.395) 11.593 7.526 ( -2.389 3.882 -0.034) 4.559 8.363 ( -1.940 0.764 2.574) 3.312 8.505 ( 5.008 -0.854 7.731) 9.251 8.623 ( 7.818 -1.853 1.638) 8.200 8.962 ( -2.088 15.985 3.717) 16.543 9.190 ( -6.807 6.713 -7.994) 12.462 9.349 ( 2.777 9.249 -1.680) 9.802 9.693 ( 1.629 8.672 1.786) 9.002 9.771 ( -0.336 5.945 -1.039) 6.045 10.281 ( -1.454 -0.262 2.633) 3.019 10.465 ( -5.278 0.418 -0.213) 5.299 10.625 ( 5.488 -1.608 0.596) 5.750 10.767 ( 1.666 -2.102 -1.566) 3.106 11.575 ( -0.383 -0.414 3.064) 3.116 11.774 ( 1.043 -0.665 3.298) 3.522 12.011 ( -0.285 2.842 -3.948) 4.872 12.105 ( -0.774 -0.131 -2.185) 2.322 13.241 ( 0.084 -8.192 0.331) 8.199 13.512 ( 1.599 -2.573 -6.451) 7.127 13.848 ( -2.463 0.783 6.193) 6.711 14.229 ( 1.078 5.590 -2.610) 6.262 15.915 ( 0.960 1.470 1.330) 2.202 16.081 ( 0.012 4.932 -2.727) 5.636 16.269 ( -1.518 1.706 0.812) 2.424 16.333 ( -0.267 0.750 -0.354) 0.871 16.589 ( 0.722 -0.145 0.903) 1.165 16.623 ( -0.864 -1.313 -1.044) 1.886 16.782 ( -0.286 -4.317 -1.132) 4.472 16.852 ( 1.763 -1.704 -0.077) 2.453 17.240 ( -3.240 0.502 3.552) 4.834 17.276 ( -0.415 0.515 2.512) 2.598 17.517 ( 0.498 -4.581 0.790) 4.675 17.610 ( 0.257 -2.529 1.735) 3.078 27.654 ( -1.300 -1.632 -1.808) 2.761 27.662 ( -0.186 -1.736 -2.912) 3.395 27.796 ( 0.276 0.717 2.135) 2.269 27.839 ( 1.021 -0.781 2.227) 2.572 28.825 ( 2.018 7.033 2.791) 7.831 29.117 ( 1.104 6.043 -6.265) 8.774 29.182 ( -3.521 2.501 -10.073) 10.959 29.277 ( -0.836 -0.483 -8.167) 8.223 29.574 ( -4.601 1.686 -2.754) 5.621 29.754 ( 3.486 -9.029 -1.780) 9.841 29.801 ( -3.491 0.051 5.893) 6.850 30.097 ( 5.924 -5.879 3.530) 9.062 30.746 ( -1.194 -8.476 16.973) 19.009 31.264 ( 1.752 1.257 4.420) 4.918 31.528 ( -2.472 -0.327 -0.704) 2.591 32.066 ( 1.343 12.745 -6.679) 14.451 ======================= Grid point 128 (59/140) ======================= q-point: (-0.22 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -7.838 -5.845 -3.616) 10.424 1.727 ( -13.765 1.330 4.008) 14.398 1.869 ( 2.002 -4.825 4.719) 7.040 1.937 ( -0.172 -7.493 -3.279) 8.181 2.013 ( 2.542 -0.399 0.466) 2.615 2.118 ( -2.767 -0.908 -2.345) 3.738 2.167 ( -0.326 3.394 -0.590) 3.460 2.276 ( 1.777 -2.018 3.927) 4.759 2.357 ( 1.804 -5.326 -0.022) 5.624 2.420 ( 2.171 -1.083 0.734) 2.535 2.534 ( 4.339 -0.802 -3.540) 5.657 2.642 ( 3.623 0.397 0.530) 3.683 2.930 ( -1.695 -4.919 0.099) 5.204 3.059 ( -0.164 -4.754 1.121) 4.887 3.149 ( -1.961 -2.206 -3.005) 4.212 3.201 ( 3.253 -9.016 -4.148) 10.444 3.455 ( -1.448 1.444 1.062) 2.304 3.493 ( -4.543 -6.697 0.154) 8.094 3.596 ( -4.453 -10.569 2.851) 11.818 3.694 ( -6.561 -6.911 -4.043) 10.351 3.748 ( -0.904 -7.597 -0.741) 7.687 3.840 ( 3.483 1.134 -3.636) 5.161 4.059 ( 1.856 -5.013 -3.651) 6.474 4.198 ( 6.376 -2.313 1.892) 7.042 4.263 ( -1.007 -5.756 -2.121) 6.217 4.386 ( -3.332 -11.719 3.757) 12.750 4.466 ( -3.282 -1.790 2.229) 4.352 4.582 ( 2.927 -0.871 -0.604) 3.113 4.735 ( -0.083 0.513 7.963) 7.980 4.810 ( -0.778 1.035 -3.509) 3.740 4.958 ( 6.246 -2.489 -1.858) 6.975 5.054 ( 1.366 -6.486 -3.262) 7.388 5.169 ( 0.414 -1.500 -0.515) 1.639 5.204 ( -1.601 -3.752 1.883) 4.493 5.362 ( -0.021 2.208 -1.436) 2.634 5.397 ( 4.589 0.613 -0.758) 4.691 5.526 ( 0.866 -0.160 2.471) 2.623 5.851 ( -6.863 7.199 7.751) 12.610 6.161 ( 4.804 -4.041 -2.535) 6.770 6.421 ( -0.647 3.102 -7.788) 8.408 6.520 ( -1.977 7.172 3.384) 8.173 6.669 ( -5.424 7.960 -6.364) 11.545 6.774 ( 1.380 7.070 1.823) 7.431 6.839 ( -6.295 -4.021 -0.517) 7.488 6.938 ( 7.089 6.518 -0.289) 9.634 7.072 ( -2.243 10.689 3.549) 11.484 7.182 ( 8.514 4.141 -0.920) 9.512 7.439 ( -4.693 1.321 -1.821) 5.204 8.295 ( -7.353 1.041 -0.577) 7.449 8.590 ( 5.862 10.335 9.577) 15.261 8.638 ( 9.098 5.811 -3.506) 11.351 8.817 ( 2.302 -2.596 6.759) 7.598 9.037 ( -5.101 2.629 -5.247) 7.776 9.203 ( 1.223 8.731 -3.523) 9.494 9.576 ( 0.183 6.623 2.558) 7.102 9.671 ( 0.030 5.069 -2.269) 5.553 10.269 ( -2.297 1.285 3.057) 4.034 10.377 ( -7.378 3.139 -0.687) 8.047 10.690 ( 5.544 -0.487 0.717) 5.612 10.803 ( 1.879 -1.511 -2.019) 3.145 11.594 ( -0.004 -0.046 3.270) 3.270 11.805 ( 0.220 -0.451 2.030) 2.091 11.941 ( -0.712 2.563 -2.452) 3.618 12.088 ( -0.608 0.140 -2.233) 2.319 13.384 ( 0.589 -7.972 0.202) 7.996 13.547 ( 0.856 -3.070 -4.026) 5.135 13.850 ( -1.632 -0.408 3.710) 4.073 14.121 ( 1.011 6.889 -2.173) 7.294 15.908 ( 0.959 1.009 1.197) 1.836 15.998 ( -1.100 2.812 -2.510) 3.926 16.232 ( -2.198 1.498 1.503) 3.055 16.317 ( -0.253 0.666 -0.404) 0.819 16.603 ( -0.759 -0.939 0.733) 1.412 16.635 ( 0.257 -0.909 -0.167) 0.959 16.841 ( 0.452 -3.838 -2.719) 4.726 16.892 ( 2.655 -0.976 -0.920) 2.975 17.222 ( -2.658 0.949 3.636) 4.603 17.283 ( -1.069 -0.402 2.497) 2.746 17.591 ( 0.888 -2.829 1.440) 3.296 17.648 ( -0.184 -1.324 0.581) 1.457 27.664 ( -1.504 -2.030 -1.781) 3.091 27.683 ( 0.278 -1.546 -0.937) 1.829 27.792 ( 0.433 1.179 1.765) 2.166 27.868 ( 0.782 -0.729 0.743) 1.302 28.790 ( 3.868 2.597 4.673) 6.599 29.016 ( 1.143 3.920 -4.419) 6.017 29.063 ( -4.253 1.847 -8.529) 9.708 29.255 ( 0.596 -1.436 -7.473) 7.632 29.482 ( -5.129 3.057 -0.113) 5.972 29.802 ( -3.437 -1.262 2.825) 4.625 29.866 ( 2.006 -1.698 2.091) 3.359 30.295 ( 8.545 -8.638 3.880) 12.755 30.956 ( 0.409 -7.272 7.158) 10.212 31.208 ( -4.700 5.650 3.583) 8.176 31.527 ( 2.351 -0.155 -1.181) 2.636 31.836 ( -2.189 9.852 -4.577) 11.081 ======================= Grid point 129 (60/140) ======================= q-point: (-0.11 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -9.667 2.428 2.996) 10.408 1.726 ( -1.312 -1.478 2.945) 3.547 1.969 ( -0.518 -4.652 3.399) 5.785 1.979 ( -1.655 3.668 -0.096) 4.025 2.047 ( -5.519 0.583 -3.916) 6.792 2.080 ( 0.455 -7.215 1.563) 7.397 2.144 ( 5.292 2.599 0.845) 5.957 2.338 ( -0.254 5.893 3.734) 6.981 2.354 ( -0.038 -0.611 -1.781) 1.883 2.428 ( -1.158 -1.042 2.393) 2.855 2.616 ( 5.533 -4.346 -1.853) 7.276 2.742 ( 4.246 -6.267 -1.691) 7.757 2.919 ( -3.631 2.711 0.516) 4.561 3.120 ( 0.346 -4.737 0.697) 4.801 3.194 ( 2.238 -1.818 -3.306) 4.386 3.282 ( 1.396 0.046 -6.489) 6.638 3.406 ( -1.059 -0.545 -0.353) 1.242 3.544 ( -2.872 -3.624 3.027) 5.526 3.703 ( -2.338 -1.494 4.547) 5.326 3.761 ( -4.343 -6.887 -3.872) 9.016 3.819 ( -1.088 -3.003 -3.033) 4.404 3.838 ( 0.339 -0.328 1.917) 1.974 4.138 ( 0.946 -5.707 -1.773) 6.051 4.276 ( 2.731 3.642 1.170) 4.700 4.334 ( 6.927 -3.952 0.287) 7.980 4.450 ( -6.148 -1.520 2.540) 6.823 4.497 ( -1.273 -1.797 1.668) 2.763 4.652 ( 2.372 -0.992 -4.078) 4.821 4.730 ( 2.849 1.353 2.751) 4.185 4.823 ( -2.415 -3.114 2.684) 4.768 5.018 ( 0.500 1.765 -2.830) 3.373 5.166 ( -3.017 -4.685 -3.440) 6.548 5.192 ( 2.683 -1.590 -2.888) 4.251 5.229 ( -2.233 -3.640 1.725) 4.605 5.370 ( 2.310 -2.073 2.030) 3.709 5.449 ( 5.268 0.793 2.496) 5.883 5.532 ( 0.660 1.296 0.985) 1.757 5.723 ( -9.302 3.158 5.182) 11.106 6.239 ( 5.084 0.262 -1.012) 5.191 6.335 ( 2.392 2.122 -4.829) 5.791 6.398 ( -0.609 5.311 -4.194) 6.795 6.543 ( -3.174 -0.461 -1.732) 3.645 6.665 ( 4.115 7.983 -2.419) 9.301 6.793 ( -6.610 1.636 0.507) 6.828 6.928 ( 7.057 1.656 -0.052) 7.249 6.955 ( -3.502 2.242 4.862) 6.397 7.164 ( 5.475 2.917 -0.455) 6.221 7.418 ( -5.076 -3.561 -1.472) 6.373 8.243 ( -5.601 -1.569 -1.106) 5.921 8.396 ( 2.533 11.323 3.895) 12.240 8.717 ( 7.237 -1.228 0.922) 7.398 8.926 ( 0.743 -0.901 3.345) 3.543 8.976 ( -0.810 -1.669 -5.421) 5.729 9.062 ( 0.376 4.251 -1.101) 4.408 9.504 ( -1.718 3.232 0.508) 3.695 9.604 ( 1.042 1.728 0.888) 2.204 10.238 ( -2.579 1.917 1.434) 3.519 10.277 ( -5.204 1.346 1.619) 5.613 10.733 ( 3.407 -0.158 -0.352) 3.428 10.825 ( 1.948 -0.523 -2.340) 3.089 11.604 ( -0.250 0.543 2.864) 2.926 11.793 ( -1.266 0.812 -3.555) 3.860 11.920 ( 0.950 0.332 3.418) 3.563 12.071 ( -0.290 0.030 -2.420) 2.437 13.500 ( 0.624 -4.793 0.747) 4.890 13.567 ( -0.391 -0.278 -1.492) 1.567 13.882 ( -0.241 -2.896 0.523) 2.953 14.007 ( 1.010 5.915 -1.693) 6.235 15.906 ( 0.588 0.588 0.729) 1.106 15.951 ( -0.566 0.678 -1.759) 1.968 16.204 ( -1.498 1.110 1.968) 2.711 16.306 ( -0.078 0.205 -0.209) 0.303 16.612 ( -1.888 -1.111 0.261) 2.206 16.654 ( 0.737 -0.534 0.874) 1.262 16.884 ( 1.109 -2.118 -3.877) 4.555 16.915 ( 2.744 0.016 -1.256) 3.018 17.203 ( -2.404 1.128 4.339) 5.087 17.291 ( -1.670 -0.448 1.970) 2.621 17.631 ( 0.374 -0.530 0.549) 0.850 17.659 ( 0.141 -0.042 -0.050) 0.155 27.680 ( -0.733 -1.585 -0.389) 1.789 27.703 ( -0.046 -0.979 -0.079) 0.983 27.783 ( 0.580 1.298 1.617) 2.153 27.879 ( 0.456 0.029 -0.941) 1.046 28.812 ( 0.695 0.713 1.607) 1.890 28.960 ( 2.047 0.829 -3.086) 3.795 29.010 ( -0.689 -0.753 -0.332) 1.074 29.253 ( 0.463 -1.981 -8.019) 8.273 29.420 ( -2.909 0.896 4.294) 5.263 29.809 ( -4.508 -2.195 1.333) 5.188 29.888 ( 1.516 1.695 2.897) 3.683 30.536 ( 9.966 -8.729 0.732) 13.268 30.902 ( -9.122 7.886 -2.523) 12.319 31.183 ( 2.555 -0.023 4.747) 5.391 31.522 ( -1.393 1.096 -6.764) 6.993 31.710 ( 0.885 2.939 3.809) 4.891 ======================= Grid point 135 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -11.974 0.000 -9.649) 15.378 1.521 ( 6.727 -0.000 -8.704) 11.001 1.631 ( 7.734 -0.000 -8.659) 11.610 1.684 ( -16.590 0.000 -2.452) 16.770 1.948 ( -1.723 0.000 2.909) 3.381 1.968 ( 0.581 -0.000 6.360) 6.387 2.138 ( 2.835 -0.000 -5.132) 5.863 2.216 ( 0.582 -0.000 -0.290) 0.650 2.285 ( -3.015 0.000 0.653) 3.085 2.447 ( 7.120 -0.000 -1.736) 7.328 2.470 ( -3.915 0.000 1.641) 4.245 2.585 ( 1.375 -0.000 3.850) 4.088 2.678 ( 7.447 -0.000 -0.574) 7.469 2.722 ( 1.276 -0.000 -1.045) 1.649 2.798 ( -9.000 0.000 -9.037) 12.754 3.063 ( 3.151 -0.000 2.340) 3.925 3.229 ( -5.852 0.000 14.466) 15.605 3.280 ( -11.303 0.000 2.736) 11.630 3.464 ( -2.935 0.000 0.471) 2.973 3.493 ( -2.882 0.000 -1.602) 3.297 3.599 ( 3.897 -0.000 -8.261) 9.134 3.824 ( -0.067 0.000 -2.485) 2.486 3.870 ( 0.333 -0.000 1.022) 1.075 3.994 ( 3.567 -0.000 -4.061) 5.405 4.093 ( -2.109 0.000 2.504) 3.274 4.125 ( 13.505 -0.000 7.971) 15.682 4.336 ( -3.603 0.000 -1.804) 4.030 4.668 ( -7.674 0.000 8.689) 11.592 4.749 ( 1.442 -0.000 -3.827) 4.089 4.856 ( 2.992 -0.000 -11.526) 11.908 4.942 ( 2.169 -0.000 3.190) 3.858 5.058 ( 2.675 -0.000 3.901) 4.730 5.066 ( 1.928 -0.000 1.638) 2.530 5.292 ( 3.339 -0.000 0.023) 3.339 5.395 ( 4.219 -0.000 -16.016) 16.562 5.505 ( 1.352 -0.000 2.466) 2.812 5.644 ( -3.731 0.000 1.068) 3.881 5.965 ( 4.490 -0.000 -8.197) 9.347 6.162 ( -11.526 0.000 4.607) 12.413 6.327 ( -1.834 0.000 1.368) 2.288 6.750 ( 4.157 -0.000 -0.825) 4.238 6.847 ( -5.471 0.000 2.254) 5.917 6.865 ( -8.622 0.000 1.146) 8.698 6.982 ( 0.780 -0.000 -3.219) 3.312 7.086 ( 6.933 -0.000 2.638) 7.418 7.217 ( -2.688 0.000 -5.929) 6.510 7.489 ( 1.231 -0.000 0.001) 1.231 7.592 ( -1.283 0.000 -1.124) 1.706 8.363 ( 11.570 -0.000 8.370) 14.280 8.480 ( 4.759 -0.000 13.658) 14.464 8.602 ( -3.828 0.000 -3.024) 4.878 9.201 ( -6.401 0.000 -0.336) 6.410 9.425 ( -5.424 0.000 -8.423) 10.018 9.533 ( 3.562 -0.000 -1.748) 3.968 9.867 ( 3.402 -0.000 2.741) 4.369 9.956 ( -0.246 0.000 0.736) 0.776 10.250 ( -0.380 0.000 1.826) 1.865 10.481 ( 0.275 -0.000 1.745) 1.766 10.502 ( 1.242 -0.000 -0.665) 1.409 10.719 ( 2.008 -0.000 -1.381) 2.437 11.566 ( -0.880 0.000 3.206) 3.325 11.759 ( 0.995 -0.000 2.279) 2.487 12.075 ( 1.786 -0.000 -3.313) 3.764 12.085 ( -2.443 0.000 -3.130) 3.970 13.087 ( -0.224 0.000 1.270) 1.290 13.472 ( 1.555 -0.000 -8.348) 8.492 13.868 ( -3.049 0.000 7.747) 8.326 14.328 ( 1.067 -0.000 -3.066) 3.246 15.951 ( 0.931 -0.000 1.768) 1.998 16.216 ( 0.849 -0.000 -3.557) 3.657 16.307 ( 0.392 -0.000 -0.816) 0.905 16.348 ( -0.472 0.000 0.043) 0.474 16.594 ( 0.229 -0.000 -1.089) 1.113 16.596 ( 1.981 -0.000 0.022) 1.981 16.678 ( -1.256 0.000 2.130) 2.473 16.817 ( -0.637 0.000 1.037) 1.217 17.249 ( -5.129 0.000 6.415) 8.213 17.310 ( -0.571 0.000 0.777) 0.964 17.389 ( 0.760 -0.000 -0.662) 1.008 17.550 ( 1.423 -0.000 2.036) 2.484 27.621 ( -2.189 0.000 -2.515) 3.334 27.631 ( 0.823 -0.000 -3.116) 3.223 27.802 ( -0.286 0.000 3.380) 3.392 27.833 ( 1.641 -0.000 2.102) 2.667 29.162 ( 0.127 -0.000 -0.119) 0.174 29.220 ( -0.294 0.000 -9.403) 9.407 29.247 ( -4.717 0.000 -11.091) 12.053 29.252 ( 1.305 -0.000 -4.767) 4.943 29.352 ( 1.676 -0.000 -1.798) 2.459 29.562 ( -2.177 0.000 -4.422) 4.929 29.846 ( -0.777 0.000 2.917) 3.018 29.984 ( 2.106 -0.000 3.624) 4.192 30.610 ( -4.477 0.000 20.131) 20.623 31.287 ( 4.856 -0.000 9.445) 10.621 31.506 ( -3.821 0.000 -1.544) 4.121 32.335 ( 4.931 -0.000 -6.872) 8.458 ======================= Grid point 136 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -12.109 -14.545 -8.417) 20.713 1.554 ( -19.695 -4.826 -3.989) 20.666 1.627 ( 5.635 -9.113 -5.254) 11.933 1.730 ( 8.915 -5.806 -2.172) 10.859 1.952 ( -2.339 -1.309 4.159) 4.948 2.004 ( -2.396 -1.814 0.732) 3.093 2.149 ( 1.105 -0.935 -2.011) 2.478 2.203 ( -2.101 -1.132 -0.712) 2.491 2.281 ( -1.396 -3.928 1.184) 4.333 2.444 ( -2.150 5.718 2.068) 6.449 2.477 ( 3.710 -1.385 -4.527) 6.014 2.631 ( 6.890 -5.180 -2.355) 8.936 2.732 ( -5.261 -7.012 -5.056) 10.119 2.781 ( 5.013 -3.200 0.379) 5.959 2.876 ( -4.231 -15.066 -3.969) 16.144 3.075 ( 5.071 2.429 3.040) 6.392 3.255 ( -6.825 -2.104 5.130) 8.793 3.279 ( -9.187 -5.115 13.014) 16.731 3.384 ( -1.964 0.258 -3.500) 4.022 3.524 ( -2.245 -2.803 1.914) 4.070 3.626 ( 0.910 -2.826 -7.614) 8.172 3.810 ( 0.857 -0.666 -4.871) 4.991 3.911 ( 0.819 -4.017 0.502) 4.130 4.043 ( 4.146 -4.687 -4.382) 7.639 4.093 ( 3.021 -0.169 3.288) 4.468 4.276 ( -1.606 1.956 1.542) 2.964 4.356 ( 11.985 -4.930 7.943) 15.200 4.636 ( -7.859 0.335 4.086) 8.864 4.704 ( -1.943 2.777 -1.246) 3.611 4.819 ( 1.265 -0.313 -9.224) 9.316 4.989 ( 1.828 -1.440 2.071) 3.116 5.061 ( 2.471 1.956 3.408) 4.641 5.104 ( 2.291 -0.380 -0.685) 2.421 5.274 ( 2.983 7.724 -11.420) 14.106 5.347 ( 5.403 -1.007 -2.459) 6.021 5.491 ( -0.904 3.158 1.492) 3.608 5.594 ( -0.927 2.894 2.474) 3.919 5.988 ( 4.944 -2.883 -5.694) 8.073 6.076 ( -7.918 2.751 4.126) 9.342 6.376 ( -3.200 -5.594 -1.375) 6.589 6.693 ( -10.607 2.846 0.666) 11.003 6.783 ( -4.450 3.047 1.453) 5.586 6.859 ( -0.966 -1.133 2.815) 3.185 6.945 ( 1.942 3.750 -3.262) 5.336 7.123 ( 6.446 3.567 3.049) 7.973 7.182 ( 2.355 0.047 -5.783) 6.245 7.442 ( 0.902 6.602 1.536) 6.838 7.553 ( -2.210 2.402 -2.700) 4.236 8.422 ( -0.121 5.644 1.820) 5.931 8.582 ( 6.365 -1.314 9.734) 11.704 8.640 ( 6.679 -4.288 6.218) 10.083 9.102 ( -8.793 1.879 -4.476) 10.045 9.251 ( -2.779 12.347 -5.082) 13.638 9.502 ( 3.502 6.086 -1.641) 7.211 9.856 ( 3.209 5.927 2.030) 7.039 9.882 ( -0.171 7.626 0.103) 7.628 10.270 ( -0.516 -1.082 2.118) 2.434 10.447 ( -2.963 1.721 0.771) 3.512 10.597 ( 2.981 -5.864 0.174) 6.580 10.744 ( 2.128 -1.502 -1.334) 2.926 11.580 ( -0.654 -0.549 3.748) 3.844 11.782 ( 0.499 -0.586 2.332) 2.456 12.031 ( -1.629 1.835 -3.560) 4.324 12.077 ( -0.006 -0.468 -3.097) 3.132 13.134 ( 0.146 -4.840 1.121) 4.970 13.458 ( 2.075 -1.486 -7.744) 8.154 13.872 ( -3.382 0.773 7.180) 7.974 14.295 ( 0.791 2.988 -3.072) 4.358 15.955 ( 0.852 1.324 1.840) 2.422 16.156 ( 0.165 5.069 -3.599) 6.219 16.285 ( -1.382 1.694 -0.701) 2.296 16.339 ( -0.654 0.425 -0.240) 0.816 16.588 ( -0.050 0.246 -0.898) 0.933 16.616 ( 1.982 -0.314 0.140) 2.012 16.711 ( -0.623 -3.240 0.682) 3.369 16.834 ( 0.494 -1.805 1.234) 2.241 17.231 ( -5.505 0.524 5.560) 7.842 17.300 ( 0.161 0.848 1.158) 1.444 17.445 ( 0.840 -5.035 1.099) 5.221 17.586 ( 0.806 -1.701 1.677) 2.521 27.601 ( -2.191 -1.161 -2.508) 3.527 27.633 ( 0.914 -1.064 -2.277) 2.675 27.815 ( -0.076 0.176 2.777) 2.783 27.856 ( 1.614 0.010 1.944) 2.527 28.995 ( 1.454 10.391 1.371) 10.581 29.126 ( -3.623 1.828 -10.645) 11.393 29.185 ( -1.097 1.950 -9.205) 9.473 29.228 ( 1.399 2.152 -6.852) 7.317 29.511 ( -3.242 -5.698 -3.055) 7.233 29.579 ( 2.312 -11.358 -0.458) 11.600 29.825 ( -2.315 2.599 4.110) 5.386 30.061 ( 3.806 -4.756 2.073) 6.435 30.706 ( -3.558 -4.521 18.013) 18.909 31.331 ( -4.540 1.817 11.116) 12.144 31.497 ( 4.106 -0.869 -4.411) 6.089 32.251 ( 3.022 10.255 -6.233) 12.375 ======================= Grid point 137 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -12.937 -10.507 -4.752) 17.330 1.504 ( -19.884 -9.925 -1.201) 22.256 1.785 ( 0.371 -8.009 -4.760) 9.324 1.869 ( 3.721 -1.297 6.100) 7.262 1.977 ( 1.884 -5.374 -2.369) 6.168 2.056 ( -1.197 -1.782 0.696) 2.257 2.193 ( 4.417 -5.873 -2.557) 7.781 2.259 ( -0.361 -4.370 3.017) 5.322 2.317 ( -3.391 0.984 0.110) 3.533 2.394 ( 2.065 -2.582 4.212) 5.354 2.541 ( 4.227 -3.768 -4.189) 7.043 2.689 ( 3.070 0.835 -6.689) 7.407 2.849 ( -0.149 -6.095 -0.462) 6.115 2.880 ( -1.925 -10.782 -0.671) 10.973 3.040 ( -3.905 -7.881 2.089) 9.040 3.132 ( 4.088 -2.274 -1.743) 4.992 3.263 ( -1.372 -8.332 -0.578) 8.464 3.370 ( -8.778 -8.183 7.167) 13.979 3.447 ( -2.062 -3.575 2.344) 4.746 3.586 ( -0.539 -4.698 -3.719) 6.016 3.632 ( -0.814 -4.989 1.504) 5.273 3.817 ( 2.159 -2.698 -7.055) 7.856 4.000 ( 2.136 -4.566 -2.158) 5.484 4.117 ( -2.579 -4.893 -4.119) 6.896 4.209 ( 6.539 -6.744 2.366) 9.687 4.257 ( -0.287 -0.263 3.107) 3.132 4.511 ( 5.717 1.064 7.523) 9.508 4.570 ( -4.739 0.163 0.986) 4.843 4.704 ( 0.215 -3.411 1.816) 3.870 4.812 ( 1.004 -1.438 -3.753) 4.142 4.976 ( -0.553 2.828 -12.102) 12.440 5.045 ( 3.845 4.286 2.647) 6.338 5.124 ( 0.527 -4.256 -0.821) 4.366 5.174 ( 0.846 0.935 0.493) 1.354 5.388 ( 2.039 1.461 2.004) 3.211 5.449 ( 4.625 1.149 -2.429) 5.349 5.573 ( 1.006 2.521 4.294) 5.080 5.950 ( -7.608 6.917 5.256) 11.548 6.092 ( 5.617 -6.109 -5.007) 9.693 6.406 ( -1.564 -0.896 -2.444) 3.037 6.562 ( -11.467 2.269 2.630) 11.981 6.729 ( -3.681 1.546 1.116) 4.146 6.772 ( -2.338 6.491 -7.667) 10.314 6.896 ( -1.055 4.336 4.918) 6.640 7.102 ( 5.369 5.920 3.316) 8.653 7.210 ( 7.716 1.275 -4.273) 8.912 7.325 ( 3.180 8.195 2.010) 9.018 7.446 ( -4.764 5.172 -3.193) 7.723 8.288 ( -7.122 5.320 -0.588) 8.909 8.708 ( 8.635 -0.214 6.390) 10.745 8.806 ( 8.652 -3.538 6.694) 11.497 8.971 ( -2.425 13.084 -4.452) 14.032 8.989 ( -3.740 4.655 -1.737) 6.219 9.377 ( 2.823 10.628 -2.255) 11.225 9.722 ( -0.136 9.653 0.440) 9.664 9.778 ( 2.263 7.324 -0.045) 7.666 10.278 ( -1.868 0.326 2.113) 2.839 10.373 ( -6.333 3.396 0.899) 7.242 10.701 ( 3.253 -2.958 -0.077) 4.397 10.782 ( 2.186 -1.959 -1.743) 3.414 11.609 ( -0.107 -0.551 4.316) 4.352 11.800 ( -0.501 -0.406 0.051) 0.647 11.966 ( -1.836 2.254 -1.348) 3.205 12.064 ( -0.797 -0.259 -3.313) 3.418 13.252 ( 0.630 -8.146 0.538) 8.188 13.481 ( 2.208 -3.117 -6.065) 7.167 13.862 ( -3.160 0.956 5.810) 6.682 14.217 ( 0.739 5.216 -2.813) 5.972 15.943 ( 0.540 1.652 1.382) 2.221 16.043 ( -0.819 5.163 -3.343) 6.205 16.239 ( -3.133 1.294 0.926) 3.514 16.322 ( -0.592 0.671 -0.481) 1.016 16.582 ( -0.261 -0.290 -0.842) 0.928 16.638 ( 1.649 -0.431 0.411) 1.754 16.766 ( 0.021 -3.910 -1.632) 4.237 16.886 ( 2.072 -1.988 0.794) 2.980 17.206 ( -5.304 -0.160 3.870) 6.567 17.300 ( 0.468 0.503 2.008) 2.122 17.551 ( 1.529 -4.600 2.908) 5.653 17.624 ( 0.055 -1.718 0.688) 1.851 27.602 ( -1.848 -2.295 -1.905) 3.509 27.656 ( 0.870 -1.655 -1.073) 2.156 27.820 ( 0.204 0.670 2.068) 2.184 27.876 ( 1.438 0.014 1.184) 1.863 28.900 ( 2.123 4.880 3.259) 6.241 29.026 ( -2.211 2.002 -7.034) 7.640 29.073 ( 0.182 4.622 -6.462) 7.947 29.195 ( 1.548 -0.973 -9.216) 9.396 29.480 ( -5.002 0.964 -0.250) 5.100 29.781 ( -5.058 0.942 4.046) 6.545 29.814 ( 4.822 -8.717 -0.552) 9.977 30.221 ( 6.253 -8.779 1.550) 10.889 30.868 ( -1.739 -7.558 10.504) 13.057 31.277 ( -8.030 3.535 8.812) 12.435 31.528 ( 5.762 0.331 -4.717) 7.454 32.010 ( -1.508 14.548 -3.825) 15.118 ======================= Grid point 138 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -15.855 -6.055 0.298) 16.974 1.570 ( -12.500 -13.847 -0.470) 18.660 1.852 ( -2.302 -3.645 -1.872) 4.699 1.939 ( 0.303 -2.773 -0.260) 2.802 2.017 ( 0.751 1.783 1.005) 2.180 2.098 ( 2.641 -2.907 1.540) 4.219 2.230 ( 2.889 1.568 -0.175) 3.292 2.346 ( 2.412 -2.227 3.455) 4.766 2.408 ( 0.485 -2.911 3.497) 4.576 2.435 ( 0.206 -0.874 1.007) 1.349 2.606 ( 5.515 0.667 -0.712) 5.600 2.670 ( 2.177 -4.232 -3.521) 5.919 2.903 ( -0.662 -1.867 -0.482) 2.038 3.023 ( -2.822 -7.280 1.346) 7.923 3.146 ( 2.864 -4.936 -1.418) 5.881 3.210 ( 2.818 -5.679 -3.976) 7.483 3.393 ( -5.437 -1.052 0.232) 5.543 3.456 ( -2.107 -5.853 -0.393) 6.233 3.489 ( -6.417 -9.472 2.933) 11.811 3.648 ( 1.002 -7.790 -0.537) 7.873 3.780 ( 2.978 -5.391 -2.518) 6.654 3.859 ( 4.219 -1.890 -0.644) 4.668 4.064 ( 3.238 -2.778 -3.620) 5.595 4.175 ( -4.536 -10.265 -3.802) 11.849 4.315 ( 0.887 -4.117 3.011) 5.177 4.356 ( -0.435 -5.633 2.014) 5.998 4.509 ( -0.824 4.621 6.333) 7.883 4.627 ( 1.704 -5.151 -0.124) 5.427 4.751 ( -2.291 -2.932 1.855) 4.158 4.806 ( 3.143 2.467 -0.084) 3.997 4.951 ( -1.166 -9.350 -9.622) 13.468 5.063 ( 0.607 1.007 1.222) 1.696 5.177 ( 0.780 -0.674 1.707) 1.994 5.192 ( 1.510 -2.514 -0.974) 3.090 5.383 ( 1.700 0.715 1.760) 2.549 5.488 ( 5.204 -0.453 1.303) 5.384 5.567 ( 2.646 1.286 1.215) 3.183 5.775 ( -9.139 7.977 3.238) 12.555 6.224 ( 6.158 -5.675 -2.917) 8.868 6.368 ( 0.258 2.438 -2.371) 3.411 6.472 ( -8.139 2.827 4.214) 9.592 6.530 ( -3.320 8.091 -7.508) 11.526 6.738 ( -3.701 -1.177 -1.895) 4.322 6.814 ( 1.008 6.787 1.240) 6.972 7.052 ( 2.776 6.620 2.464) 7.589 7.101 ( 2.676 11.039 3.301) 11.829 7.281 ( 0.847 7.242 -2.378) 7.669 7.352 ( 2.289 -1.455 -1.670) 3.186 8.161 ( -8.167 1.622 -0.547) 8.345 8.683 ( 3.297 13.341 -3.301) 14.133 8.793 ( 3.680 4.753 7.074) 9.283 8.920 ( -0.213 -0.130 1.637) 1.655 8.966 ( 7.946 -2.139 -0.829) 8.270 9.193 ( 1.125 10.905 -2.367) 11.215 9.576 ( -1.106 7.070 -1.272) 7.268 9.678 ( 0.596 5.803 1.812) 6.109 10.250 ( -2.819 1.694 -0.183) 3.294 10.272 ( -5.767 2.262 3.458) 7.095 10.738 ( 0.613 -0.498 -1.507) 1.702 10.824 ( 2.937 -1.234 -1.573) 3.553 11.627 ( -0.753 0.543 3.821) 3.933 11.775 ( -1.759 0.846 -4.090) 4.532 11.942 ( -0.513 -0.071 3.414) 3.453 12.045 ( -0.985 -0.517 -3.704) 3.867 13.400 ( 0.936 -8.118 0.461) 8.185 13.525 ( 1.130 -3.017 -3.707) 4.911 13.856 ( -1.933 -0.339 3.364) 3.895 14.112 ( 0.754 6.461 -2.426) 6.943 15.921 ( -0.734 1.246 0.016) 1.446 15.970 ( 0.701 2.047 -1.053) 2.406 16.209 ( -2.732 0.370 1.991) 3.401 16.306 ( -0.526 0.371 -0.511) 0.822 16.584 ( -0.269 -0.645 -0.788) 1.053 16.660 ( 1.116 -0.461 0.897) 1.504 16.823 ( 0.908 -3.766 -3.187) 5.016 16.928 ( 2.316 -0.643 0.011) 2.404 17.190 ( -4.895 -0.664 3.006) 5.782 17.305 ( 0.240 0.710 2.731) 2.832 17.624 ( 0.698 -1.342 1.035) 1.833 17.653 ( 0.578 -1.286 1.081) 1.777 27.627 ( -1.313 -2.909 -0.800) 3.291 27.685 ( 0.540 -1.396 -0.158) 1.505 27.818 ( 0.536 0.999 1.837) 2.159 27.886 ( 1.173 0.418 -0.124) 1.252 28.835 ( -3.118 3.640 -3.264) 5.799 28.984 ( 1.743 0.840 -0.144) 1.941 29.024 ( 4.370 0.750 0.356) 4.448 29.185 ( 1.258 -1.540 -8.988) 9.205 29.433 ( -2.938 0.833 3.703) 4.799 29.746 ( -5.639 -0.629 0.918) 5.747 29.927 ( 3.202 -1.300 1.925) 3.956 30.449 ( 7.645 -10.317 -1.046) 12.883 30.920 ( -6.842 2.227 -0.406) 7.207 31.226 ( -3.331 1.065 8.293) 9.000 31.504 ( 1.706 2.615 -8.680) 9.224 31.808 ( -0.792 6.353 4.268) 7.695 ======================= Grid point 145 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -15.739 0.000 -8.577) 17.924 1.299 ( -23.660 0.000 -8.036) 24.987 1.560 ( 6.948 -0.000 -4.782) 8.435 1.779 ( 10.929 -0.000 3.832) 11.581 1.954 ( -6.928 0.000 1.336) 7.055 1.963 ( 1.000 -0.000 2.532) 2.722 2.088 ( -18.368 0.000 -1.446) 18.425 2.169 ( 0.679 -0.000 -2.736) 2.818 2.202 ( 0.385 -0.000 -4.463) 4.479 2.435 ( -13.753 0.000 -6.769) 15.329 2.483 ( 8.073 -0.000 -5.366) 9.694 2.597 ( 3.470 -0.000 6.514) 7.381 2.660 ( 1.035 -0.000 1.013) 1.449 2.706 ( 7.548 -0.000 -7.833) 10.878 2.850 ( 6.620 -0.000 3.359) 7.424 3.118 ( -2.080 0.000 3.854) 4.380 3.212 ( 0.238 -0.000 3.569) 3.577 3.229 ( -7.472 0.000 10.671) 13.027 3.440 ( -6.952 0.000 9.106) 11.456 3.468 ( 1.074 -0.000 -0.443) 1.161 3.555 ( 4.281 -0.000 -14.425) 15.047 3.794 ( 1.020 -0.000 -5.146) 5.246 3.875 ( -1.664 0.000 1.571) 2.289 4.011 ( 3.858 -0.000 -4.768) 6.133 4.115 ( 0.445 -0.000 2.663) 2.700 4.302 ( 0.935 -0.000 0.608) 1.116 4.487 ( 16.908 -0.000 10.119) 19.705 4.587 ( -8.289 0.000 1.257) 8.384 4.692 ( -3.619 0.000 -2.770) 4.558 4.774 ( -0.915 0.000 -6.705) 6.767 4.999 ( 3.039 -0.000 0.568) 3.092 5.072 ( -1.602 0.000 -4.619) 4.889 5.143 ( 1.838 -0.000 6.156) 6.424 5.306 ( 4.683 -0.000 -17.043) 17.675 5.390 ( 6.424 -0.000 3.476) 7.304 5.559 ( 0.674 -0.000 6.059) 6.097 5.624 ( 0.763 -0.000 2.460) 2.576 5.928 ( 3.801 -0.000 -13.294) 13.827 6.077 ( -3.621 0.000 4.271) 5.599 6.300 ( -3.590 0.000 2.767) 4.533 6.654 ( -12.200 0.000 1.985) 12.360 6.714 ( -11.333 0.000 1.284) 11.405 6.883 ( 2.705 -0.000 2.734) 3.846 6.977 ( 2.300 -0.000 -4.486) 5.041 7.186 ( 2.502 -0.000 -1.681) 3.014 7.216 ( 6.638 -0.000 2.955) 7.266 7.506 ( -0.656 0.000 2.393) 2.481 7.541 ( -1.560 0.000 -5.115) 5.348 8.481 ( -6.088 0.000 -4.552) 7.601 8.627 ( 11.718 -0.000 4.328) 12.492 8.734 ( 7.634 -0.000 17.141) 18.764 8.983 ( -11.820 0.000 -9.795) 15.351 9.343 ( -0.208 0.000 -1.645) 1.658 9.569 ( 2.842 -0.000 -2.201) 3.595 9.937 ( 2.522 -0.000 1.772) 3.082 9.962 ( 0.480 -0.000 0.438) 0.650 10.269 ( 0.485 -0.000 1.550) 1.624 10.497 ( -0.138 0.000 1.033) 1.042 10.508 ( 0.092 -0.000 0.432) 0.442 10.744 ( 2.525 -0.000 -1.224) 2.806 11.585 ( -1.152 0.000 3.861) 4.029 11.790 ( 0.084 -0.000 1.683) 1.685 11.997 ( -3.803 0.000 -4.337) 5.768 12.076 ( 1.961 -0.000 -2.098) 2.872 13.103 ( 0.241 -0.000 1.911) 1.926 13.425 ( 2.702 -0.000 -7.846) 8.298 13.885 ( -4.044 0.000 7.286) 8.333 14.309 ( 0.577 -0.000 -3.282) 3.332 15.981 ( 0.353 -0.000 1.858) 1.891 16.184 ( -0.409 0.000 -3.163) 3.190 16.293 ( 0.838 -0.000 -4.860) 4.931 16.329 ( -1.700 0.000 -0.070) 1.701 16.593 ( 0.886 -0.000 -0.714) 1.138 16.632 ( 2.370 -0.000 -0.223) 2.381 16.688 ( -0.376 0.000 2.810) 2.835 16.821 ( -0.373 0.000 1.915) 1.951 17.227 ( -6.269 0.000 8.388) 10.472 17.314 ( -0.711 0.000 2.096) 2.213 17.399 ( 1.295 -0.000 -0.744) 1.494 17.585 ( 0.747 -0.000 1.116) 1.343 27.562 ( -2.137 0.000 -2.164) 3.042 27.621 ( 1.069 -0.000 -1.937) 2.213 27.830 ( -0.020 0.000 2.663) 2.663 27.878 ( 1.683 -0.000 1.594) 2.318 29.065 ( -3.931 0.000 -9.188) 9.993 29.098 ( 0.466 -0.000 -13.469) 13.477 29.177 ( 0.381 -0.000 0.065) 0.387 29.251 ( 0.939 -0.000 -1.327) 1.625 29.372 ( 1.012 -0.000 1.028) 1.443 29.475 ( -3.124 0.000 -4.189) 5.225 29.866 ( -0.537 0.000 3.314) 3.357 30.039 ( 1.593 -0.000 1.547) 2.220 30.716 ( -4.662 0.000 15.770) 16.445 31.319 ( -11.267 0.000 7.048) 13.290 31.549 ( 10.451 -0.000 -0.229) 10.453 32.352 ( 4.996 -0.000 -5.374) 7.338 ======================= Grid point 146 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -15.829 -17.608 -4.494) 24.100 1.142 ( -22.723 -9.510 -7.642) 25.792 1.664 ( 4.352 -6.000 -3.365) 8.140 1.854 ( -11.369 -4.104 -2.934) 12.438 1.910 ( 3.959 -2.697 5.679) 7.430 1.988 ( -6.927 -7.669 1.493) 10.442 2.076 ( -7.546 -10.180 2.196) 12.861 2.142 ( 2.372 1.012 -2.470) 3.571 2.259 ( 2.114 -3.948 -4.827) 6.585 2.364 ( -4.478 -3.267 0.428) 5.560 2.509 ( 2.418 3.899 -1.180) 4.737 2.593 ( 3.454 -5.505 -3.497) 7.380 2.758 ( 6.604 -2.739 -3.652) 8.028 2.829 ( 1.463 -7.966 0.488) 8.114 2.921 ( 5.731 -2.411 4.540) 7.699 3.146 ( 1.267 -1.140 0.428) 1.757 3.240 ( -8.511 -3.004 10.536) 13.873 3.284 ( 2.367 -1.269 4.696) 5.410 3.344 ( -1.585 0.904 1.358) 2.275 3.512 ( -0.616 -2.647 -2.666) 3.807 3.568 ( -0.586 -3.297 -0.247) 3.358 3.775 ( 2.606 -0.172 -7.353) 7.803 3.904 ( -2.262 -4.683 -0.496) 5.224 4.045 ( 3.231 -2.334 -3.874) 5.559 4.154 ( -0.475 -3.755 2.234) 4.395 4.309 ( 4.263 1.611 0.700) 4.611 4.520 ( -7.083 0.344 -2.144) 7.408 4.587 ( -1.366 -0.271 -0.369) 1.440 4.705 ( 2.548 -0.793 3.890) 4.717 4.766 ( 5.621 -1.443 -0.293) 5.811 4.977 ( -1.760 3.820 -9.756) 10.623 5.064 ( 2.967 -2.780 -3.305) 5.240 5.161 ( 2.486 4.267 -0.383) 4.953 5.206 ( -0.158 2.952 -3.962) 4.943 5.465 ( 6.615 0.048 4.063) 7.763 5.515 ( 2.604 5.870 2.055) 6.743 5.644 ( 1.796 1.799 5.704) 6.245 5.958 ( -1.435 -2.255 -5.723) 6.317 6.061 ( 3.815 0.016 0.501) 3.848 6.336 ( -2.410 -4.747 1.473) 5.524 6.517 ( -12.177 3.204 2.364) 12.812 6.672 ( -8.565 -2.591 0.584) 8.967 6.855 ( -1.184 6.804 -3.488) 7.737 6.951 ( -2.213 1.597 3.849) 4.719 7.190 ( 3.552 1.372 -1.566) 4.117 7.299 ( 11.028 0.000 3.215) 11.487 7.461 ( -0.201 4.712 -2.628) 5.400 7.478 ( -2.834 3.614 0.403) 4.610 8.334 ( -6.203 6.953 -3.234) 9.863 8.761 ( 5.175 -2.198 -0.697) 5.665 8.861 ( -0.684 -2.426 -4.267) 4.956 8.892 ( 3.238 -1.212 10.413) 10.972 9.236 ( 1.247 11.274 0.447) 11.351 9.527 ( 2.064 5.849 -3.411) 7.078 9.885 ( 0.626 8.926 -0.173) 8.950 9.917 ( 2.279 5.559 1.192) 6.125 10.279 ( -0.349 0.228 0.943) 1.031 10.406 ( -3.660 4.897 2.188) 6.493 10.637 ( 2.023 -7.152 0.130) 7.434 10.764 ( 2.114 -0.904 -1.675) 2.844 11.610 ( -0.701 -1.474 4.152) 4.461 11.792 ( -0.651 0.220 -0.442) 0.817 11.948 ( -3.820 -0.273 -3.281) 5.043 12.065 ( 0.797 1.929 -1.345) 2.483 13.152 ( 0.351 -4.509 1.619) 4.804 13.428 ( 3.261 -1.860 -6.903) 7.857 13.879 ( -4.244 0.783 6.707) 7.975 14.274 ( 0.570 2.773 -3.210) 4.280 15.978 ( -0.097 1.339 1.316) 1.880 16.112 ( -0.362 5.715 -5.377) 7.855 16.239 ( -3.009 1.888 -1.106) 3.720 16.322 ( -0.757 -0.011 -0.912) 1.186 16.590 ( 1.405 1.039 -0.771) 1.910 16.644 ( 1.275 -0.187 0.019) 1.289 16.711 ( -0.242 -1.744 0.633) 1.871 16.866 ( 1.481 -2.965 1.950) 3.845 17.195 ( -5.969 1.782 6.547) 9.037 17.315 ( -0.128 0.120 1.941) 1.949 17.487 ( 1.988 -6.780 3.113) 7.721 17.603 ( 0.160 -1.163 0.232) 1.197 27.548 ( -1.839 -1.352 -1.569) 2.770 27.634 ( 1.198 -1.303 -0.964) 2.016 27.839 ( 0.071 0.307 1.899) 1.925 27.896 ( 1.590 0.179 1.076) 1.928 28.964 ( -2.855 3.298 -5.157) 6.754 29.040 ( -0.740 0.674 -6.871) 6.943 29.100 ( 2.938 4.744 -1.842) 5.876 29.203 ( 1.484 3.760 -3.960) 5.659 29.418 ( -4.650 -2.751 -1.855) 5.713 29.628 ( 3.386 -16.130 0.326) 16.485 29.821 ( -2.454 4.680 2.885) 6.020 30.130 ( 3.252 -7.195 0.520) 7.913 30.790 ( -3.882 -4.961 10.562) 12.298 31.256 ( -10.676 -0.072 4.625) 11.635 31.611 ( 8.903 2.693 0.124) 9.303 32.234 ( 0.898 14.309 -4.396) 14.996 ======================= Grid point 147 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -16.518 -14.957 -7.000) 23.357 1.188 ( -19.543 -12.987 3.435) 23.715 1.754 ( 0.735 -5.046 -1.847) 5.424 1.921 ( -2.140 -5.912 1.033) 6.372 2.005 ( 1.348 -6.215 -3.302) 7.166 2.077 ( 1.240 0.460 1.242) 1.814 2.187 ( -11.238 -11.256 3.720) 16.336 2.249 ( 2.323 -11.191 0.270) 11.433 2.306 ( 2.395 -3.858 1.761) 4.870 2.425 ( -2.360 -2.368 1.659) 3.732 2.523 ( 2.393 -6.510 -0.070) 6.936 2.719 ( 8.277 -0.348 -5.811) 10.120 2.818 ( 0.411 -7.013 0.078) 7.026 2.925 ( 3.560 -2.301 1.472) 4.488 3.064 ( 0.789 -5.677 5.811) 8.162 3.167 ( 2.485 -1.984 -4.170) 5.244 3.261 ( -6.972 -3.842 7.785) 11.135 3.317 ( 0.991 -4.634 -0.043) 4.739 3.450 ( -0.290 -3.182 1.353) 3.470 3.551 ( -0.757 -4.603 0.771) 4.728 3.661 ( 2.200 -7.487 -0.698) 7.835 3.813 ( 5.793 -5.716 -3.552) 8.880 3.966 ( -4.008 -6.648 -2.912) 8.291 4.076 ( 3.327 -0.411 -3.808) 5.074 4.227 ( -2.478 -3.718 1.814) 4.822 4.334 ( 3.287 -1.457 -0.300) 3.608 4.495 ( -4.281 -6.544 -1.008) 7.884 4.584 ( -4.488 0.747 3.531) 5.759 4.725 ( -2.074 -2.305 -0.981) 3.252 4.791 ( -0.934 1.627 -9.084) 9.276 4.872 ( 5.363 1.661 -0.026) 5.615 5.084 ( 0.800 0.853 -1.679) 2.047 5.144 ( 2.454 -2.793 -1.455) 3.992 5.212 ( 2.194 -0.082 1.832) 2.859 5.452 ( 1.659 4.691 3.341) 5.993 5.539 ( 6.488 0.089 0.310) 6.496 5.642 ( 3.492 3.219 3.708) 6.026 5.844 ( -6.373 7.107 -0.894) 9.588 6.165 ( 4.940 -4.930 -1.425) 7.124 6.381 ( -1.473 -0.869 0.783) 1.881 6.422 ( -8.434 -0.372 3.448) 9.119 6.635 ( -4.089 11.269 -8.540) 14.719 6.674 ( -3.547 -3.412 -0.302) 4.931 6.908 ( -3.270 3.692 4.279) 6.530 7.168 ( 0.138 3.635 0.697) 3.704 7.291 ( 1.756 8.379 -2.606) 8.949 7.369 ( -3.064 7.847 5.193) 9.896 7.452 ( 14.564 2.643 -0.973) 14.834 8.161 ( -6.897 5.689 -1.204) 9.021 8.741 ( -1.917 -0.244 -4.722) 5.102 8.930 ( 3.927 -2.066 -3.498) 5.650 8.978 ( 3.166 4.186 7.673) 9.296 9.082 ( 8.646 8.646 4.137) 12.908 9.378 ( 1.003 10.957 -4.320) 11.821 9.711 ( -0.136 10.751 -1.379) 10.840 9.816 ( 0.836 8.542 1.606) 8.732 10.253 ( -2.509 1.891 -1.043) 3.311 10.300 ( -5.861 4.181 5.315) 8.949 10.716 ( -0.472 -1.412 -1.307) 1.981 10.805 ( 2.902 -2.788 -2.014) 4.500 11.639 ( -1.550 -0.206 3.036) 3.415 11.761 ( -1.422 1.190 -2.812) 3.369 11.927 ( -2.556 -1.540 0.045) 2.985 12.024 ( -1.130 1.209 -1.509) 2.240 13.269 ( 0.758 -8.122 0.653) 8.184 13.466 ( 2.892 -3.060 -5.187) 6.681 13.862 ( -3.635 0.828 5.269) 6.455 14.200 ( 0.727 4.872 -2.917) 5.725 15.943 ( -1.073 2.488 -0.650) 2.787 16.005 ( -0.216 2.636 -2.106) 3.381 16.197 ( -3.422 0.342 1.619) 3.801 16.307 ( -0.498 0.545 -0.705) 1.021 16.584 ( 1.544 0.476 -0.855) 1.828 16.661 ( 1.042 -0.666 0.031) 1.238 16.753 ( 0.209 -3.490 -1.457) 3.788 16.929 ( 1.993 -1.709 0.750) 2.731 17.158 ( -5.382 0.230 4.219) 6.843 17.326 ( -0.000 -0.006 2.454) 2.454 17.606 ( 1.083 -2.247 0.756) 2.607 17.636 ( 1.372 -2.719 2.242) 3.782 27.565 ( -1.323 -2.772 -0.507) 3.113 27.666 ( 1.076 -1.524 -0.077) 1.867 27.840 ( 0.162 0.493 1.061) 1.181 27.906 ( 1.410 0.526 0.292) 1.533 28.860 ( -3.031 4.705 -3.416) 6.557 28.990 ( -1.300 0.168 -3.962) 4.173 29.099 ( 8.297 1.525 1.374) 8.547 29.161 ( 2.477 1.013 -3.254) 4.213 29.418 ( -3.496 -1.865 2.081) 4.475 29.726 ( -5.268 3.205 2.182) 6.541 29.893 ( 6.292 -8.611 -0.689) 10.687 30.314 ( 4.742 -10.718 -1.085) 11.771 30.865 ( -5.369 -2.533 0.532) 5.960 31.211 ( -8.299 -1.068 4.789) 9.641 31.585 ( 5.731 6.558 -3.624) 9.433 31.949 ( -5.053 12.004 1.247) 13.084 ======================= Grid point 155 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -19.347 0.000 -2.319) 19.486 0.808 ( -24.887 0.000 -12.478) 27.840 1.515 ( -40.925 0.000 1.139) 40.941 1.664 ( 6.190 -0.000 -0.435) 6.206 1.828 ( -3.787 0.000 -4.968) 6.247 1.960 ( 2.537 -0.000 5.542) 6.095 2.028 ( 2.602 -0.000 4.015) 4.785 2.177 ( -0.780 0.000 -4.966) 5.027 2.242 ( 9.103 -0.000 1.078) 9.167 2.279 ( -3.869 0.000 -2.589) 4.655 2.563 ( 7.048 -0.000 -3.510) 7.873 2.656 ( -2.526 0.000 5.387) 5.950 2.701 ( 1.718 -0.000 2.976) 3.436 2.757 ( 6.245 -0.000 -7.610) 9.844 2.978 ( 7.865 -0.000 0.239) 7.869 3.141 ( -2.395 0.000 10.306) 10.581 3.244 ( -1.215 0.000 6.763) 6.871 3.250 ( 0.374 -0.000 1.094) 1.157 3.409 ( -9.232 0.000 7.547) 11.924 3.484 ( 3.832 -0.000 -8.541) 9.361 3.540 ( 5.872 -0.000 5.358) 7.949 3.767 ( 4.237 -0.000 -8.332) 9.348 3.835 ( -4.092 0.000 -0.629) 4.140 4.031 ( 4.926 -0.000 -4.935) 6.973 4.117 ( -4.503 0.000 4.915) 6.665 4.345 ( 2.874 -0.000 -7.091) 7.651 4.469 ( -4.421 0.000 0.351) 4.435 4.504 ( -8.549 0.000 -5.755) 10.306 4.685 ( -5.850 0.000 2.848) 6.507 4.879 ( 13.180 -0.000 3.950) 13.759 4.943 ( -1.460 0.000 -13.422) 13.501 5.061 ( 5.276 -0.000 0.050) 5.276 5.200 ( 1.845 -0.000 -16.252) 16.357 5.210 ( -0.007 0.000 3.448) 3.448 5.529 ( 7.179 -0.000 1.557) 7.346 5.650 ( 0.535 -0.000 9.369) 9.384 5.735 ( 4.779 -0.000 9.431) 10.573 5.882 ( 5.391 -0.000 -9.304) 10.753 6.085 ( 1.088 -0.000 -1.055) 1.516 6.266 ( -4.029 0.000 2.327) 4.653 6.476 ( -12.294 0.000 2.986) 12.652 6.554 ( -9.428 0.000 1.023) 9.483 6.912 ( -3.082 0.000 3.277) 4.499 6.964 ( 1.747 -0.000 -4.702) 5.017 7.246 ( 3.319 -0.000 5.578) 6.491 7.359 ( 6.953 -0.000 2.692) 7.455 7.453 ( -1.999 0.000 -5.131) 5.507 7.514 ( -2.361 0.000 4.802) 5.351 8.341 ( -5.066 0.000 -4.633) 6.865 8.725 ( -7.675 0.000 -8.554) 11.493 8.781 ( 6.982 -0.000 -4.888) 8.523 9.016 ( 6.093 -0.000 15.496) 16.650 9.343 ( 1.079 -0.000 -0.613) 1.240 9.563 ( 0.222 -0.000 -4.869) 4.874 9.979 ( 1.061 -0.000 0.942) 1.419 9.980 ( 1.316 -0.000 -0.135) 1.323 10.290 ( 0.817 -0.000 0.426) 0.922 10.498 ( -0.736 0.000 0.904) 1.166 10.534 ( 2.173 -0.000 2.261) 3.136 10.770 ( 2.404 -0.000 -1.794) 3.000 11.603 ( -1.284 0.000 3.570) 3.793 11.788 ( -0.568 0.000 -1.157) 1.289 11.892 ( -4.041 0.000 -3.657) 5.450 12.099 ( 2.108 -0.000 -0.234) 2.121 13.129 ( 0.049 -0.000 2.930) 2.930 13.408 ( 4.006 -0.000 -6.718) 7.822 13.882 ( -4.837 0.000 6.779) 8.328 14.286 ( 0.629 -0.000 -3.287) 3.347 15.992 ( -0.747 0.000 1.067) 1.303 16.140 ( 0.549 -0.000 -7.897) 7.917 16.231 ( -1.793 0.000 -5.712) 5.986 16.298 ( -1.823 0.000 -0.297) 1.847 16.610 ( 1.742 -0.000 -0.249) 1.759 16.659 ( 1.756 -0.000 -0.990) 2.016 16.718 ( 0.050 -0.000 3.312) 3.312 16.846 ( 0.998 -0.000 1.752) 2.016 17.237 ( -4.110 0.000 12.587) 13.241 17.329 ( -1.470 0.000 4.846) 5.064 17.413 ( 1.366 -0.000 -0.750) 1.559 17.593 ( -0.025 0.000 -0.525) 0.525 27.516 ( -1.570 0.000 -1.025) 1.875 27.627 ( 1.046 -0.000 -0.439) 1.134 27.849 ( 0.005 -0.000 1.145) 1.145 27.914 ( 1.411 -0.000 0.579) 1.525 28.948 ( -2.384 0.000 -3.909) 4.579 28.990 ( -0.865 0.000 -5.864) 5.927 29.183 ( 0.287 -0.000 -0.014) 0.288 29.252 ( 0.806 -0.000 -1.271) 1.505 29.393 ( -2.681 0.000 -2.578) 3.720 29.399 ( 0.205 -0.000 2.293) 2.302 29.889 ( -0.552 0.000 2.769) 2.824 30.066 ( 1.079 -0.000 -0.302) 1.120 30.757 ( -4.785 0.000 7.726) 9.088 31.185 ( -9.514 0.000 1.572) 9.643 31.712 ( 7.684 -0.000 1.872) 7.909 32.384 ( 5.606 -0.000 -7.404) 9.287 ======================= Grid point 156 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -19.389 -15.689 -8.666) 26.404 0.812 ( -18.436 -18.619 5.553) 26.784 1.415 ( -32.112 -26.870 7.924) 42.615 1.730 ( 1.791 -1.363 -1.069) 2.492 1.860 ( 2.847 -8.165 -5.911) 10.474 2.026 ( -0.902 -3.339 3.696) 5.062 2.105 ( 1.110 -3.131 2.715) 4.290 2.148 ( 0.337 -1.670 -2.499) 3.024 2.257 ( -1.222 -4.503 0.208) 4.671 2.372 ( 4.345 -3.828 -0.594) 5.821 2.541 ( 0.398 6.322 3.558) 7.265 2.657 ( 6.673 -6.554 -2.888) 9.789 2.782 ( 2.455 -3.154 -4.710) 6.177 2.852 ( 1.839 -7.428 -0.646) 7.679 3.098 ( 7.211 -2.897 9.625) 12.370 3.161 ( 1.514 2.068 -0.663) 2.647 3.207 ( -6.370 1.542 7.077) 9.645 3.342 ( 0.254 -7.427 3.232) 8.104 3.375 ( -1.669 3.667 7.446) 8.465 3.450 ( -1.044 -3.088 -2.778) 4.283 3.650 ( 5.587 -0.680 4.375) 7.128 3.770 ( 6.204 -2.453 -5.220) 8.471 3.835 ( -2.731 -3.424 -3.287) 5.476 4.084 ( 2.851 -1.171 0.002) 3.082 4.152 ( 1.123 -5.846 -0.404) 5.967 4.306 ( -1.999 -1.323 -9.687) 9.979 4.378 ( -8.398 -0.099 -3.585) 9.132 4.498 ( -6.444 -4.489 1.063) 7.925 4.655 ( -6.454 -0.627 3.867) 7.550 4.842 ( 3.196 4.649 -11.504) 12.813 4.947 ( 5.212 2.088 0.109) 5.616 5.091 ( -1.562 2.196 -7.172) 7.661 5.129 ( 5.048 -1.727 0.839) 5.401 5.225 ( 2.701 -0.239 -1.091) 2.922 5.582 ( 3.528 4.217 0.532) 5.524 5.602 ( 2.387 3.998 6.102) 7.675 5.748 ( 3.413 3.434 4.699) 6.747 5.896 ( -0.773 3.492 -2.814) 4.551 6.127 ( 3.036 -2.884 -1.679) 4.512 6.305 ( -3.678 -5.138 0.689) 6.357 6.389 ( -5.164 0.162 2.005) 5.542 6.553 ( -6.092 -5.614 0.173) 8.286 6.757 ( -4.766 12.233 -6.446) 14.626 6.926 ( -5.505 1.048 3.386) 6.548 7.242 ( 2.542 4.778 2.633) 6.019 7.389 ( -0.706 3.864 -2.279) 4.541 7.469 ( -0.587 3.134 1.022) 3.348 7.602 ( 16.659 -5.021 11.624) 20.925 8.217 ( -3.903 6.881 -1.925) 8.142 8.670 ( -1.726 -3.181 -3.819) 5.262 8.850 ( 2.151 -5.848 -10.444) 12.162 9.106 ( 3.249 2.034 10.463) 11.143 9.284 ( 3.769 6.825 0.912) 7.850 9.493 ( -0.211 5.012 -5.887) 7.734 9.895 ( 0.871 10.119 -0.598) 10.174 9.950 ( 0.912 4.985 0.523) 5.095 10.273 ( -0.426 2.684 -1.085) 2.926 10.379 ( -4.912 7.836 5.506) 10.763 10.664 ( 1.092 -4.655 -0.706) 4.833 10.776 ( 2.235 -1.074 -2.516) 3.533 11.623 ( -1.808 -1.124 1.211) 2.450 11.763 ( -0.760 1.098 -1.590) 2.076 11.867 ( -2.581 -2.019 -1.925) 3.800 12.054 ( -2.430 4.479 -0.163) 5.099 13.172 ( -0.105 -4.083 1.981) 4.539 13.426 ( 4.156 -1.809 -5.771) 7.339 13.869 ( -4.761 0.648 6.100) 7.766 14.254 ( 0.893 2.604 -3.109) 4.153 15.973 ( -1.277 2.285 -0.844) 2.750 16.028 ( -2.301 3.603 -6.617) 7.878 16.186 ( -3.128 0.642 0.961) 3.335 16.300 ( -0.311 -0.772 -1.579) 1.785 16.614 ( 2.135 1.400 -0.552) 2.612 16.659 ( 0.878 0.036 -0.090) 0.883 16.714 ( -0.681 -0.427 1.298) 1.526 16.906 ( 1.785 -3.151 -0.049) 3.621 17.180 ( -4.967 5.109 8.361) 10.985 17.330 ( -0.678 -0.296 2.253) 2.371 17.570 ( 3.561 -5.970 2.125) 7.269 17.604 ( 1.100 -2.991 0.763) 3.277 27.516 ( -1.101 -1.665 0.038) 1.996 27.652 ( 1.371 -1.514 0.177) 2.050 27.849 ( -0.096 0.294 0.042) 0.312 27.924 ( 1.131 0.232 -0.139) 1.163 28.921 ( -0.396 5.086 3.021) 5.929 28.945 ( -1.078 -1.209 -4.276) 4.573 29.197 ( 1.395 4.017 -1.709) 4.583 29.218 ( 8.181 0.061 6.240) 10.289 29.336 ( -3.877 -3.993 -0.493) 5.587 29.700 ( 6.372 -19.529 0.845) 20.560 29.803 ( -1.811 6.643 0.654) 6.917 30.175 ( 2.439 -9.093 -0.452) 9.425 30.777 ( -4.937 -2.932 0.989) 5.827 31.134 ( -7.540 -1.489 0.909) 7.739 31.728 ( 5.190 5.326 -0.224) 7.440 32.141 ( -8.577 19.311 -8.241) 22.680 ======================= Grid point 165 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -19.218 0.000 5.093) 19.881 0.431 ( -18.508 0.000 13.176) 22.719 0.928 ( -42.776 0.000 25.353) 49.725 1.744 ( 0.497 -0.000 -6.483) 6.502 1.777 ( 6.739 -0.000 -2.066) 7.049 2.002 ( -0.768 0.000 2.435) 2.553 2.077 ( -5.666 0.000 -0.402) 5.681 2.117 ( 3.415 -0.000 -0.178) 3.419 2.208 ( -1.517 0.000 -2.490) 2.916 2.384 ( 5.227 -0.000 -0.583) 5.259 2.618 ( -3.113 0.000 -1.328) 3.385 2.639 ( 4.356 -0.000 -0.791) 4.427 2.742 ( 0.512 -0.000 -4.099) 4.131 2.783 ( 4.930 -0.000 -4.509) 6.681 3.104 ( 4.400 -0.000 4.896) 6.583 3.216 ( -5.639 0.000 9.209) 10.798 3.273 ( 0.093 -0.000 2.224) 2.226 3.299 ( 1.725 -0.000 3.087) 3.536 3.404 ( 8.583 -0.000 15.623) 17.825 3.534 ( 3.205 -0.000 13.500) 13.875 3.720 ( 2.174 -0.000 2.519) 3.328 3.770 ( 3.990 -0.000 0.866) 4.082 3.775 ( 7.001 -0.000 -8.660) 11.136 4.063 ( -6.628 0.000 -2.773) 7.185 4.073 ( 5.615 -0.000 -4.118) 6.963 4.188 ( -8.662 0.000 -2.920) 9.141 4.282 ( -12.540 0.000 -3.991) 13.159 4.408 ( -5.421 0.000 -1.028) 5.518 4.621 ( -7.068 0.000 6.505) 9.606 4.871 ( 7.208 -0.000 -6.891) 9.972 4.999 ( 3.268 -0.000 -3.515) 4.800 5.039 ( -5.549 0.000 -10.112) 11.535 5.151 ( 0.491 -0.000 1.082) 1.188 5.264 ( 9.728 -0.000 -2.147) 9.962 5.650 ( 8.087 -0.000 -1.192) 8.174 5.673 ( -7.780 0.000 2.317) 8.118 5.892 ( 0.982 -0.000 9.588) 9.638 5.917 ( 5.816 -0.000 -3.159) 6.619 6.066 ( 0.494 -0.000 -5.163) 5.186 6.213 ( -3.959 0.000 -0.063) 3.960 6.355 ( -5.361 0.000 1.394) 5.539 6.448 ( -4.551 0.000 0.320) 4.562 6.858 ( -6.037 0.000 1.473) 6.214 6.860 ( -7.171 0.000 -16.894) 18.353 7.372 ( 0.808 -0.000 -3.155) 3.257 7.426 ( 5.705 -0.000 2.269) 6.139 7.500 ( 2.431 -0.000 4.799) 5.380 7.681 ( 17.271 -0.000 35.269) 39.271 8.273 ( -0.427 0.000 1.719) 1.771 8.601 ( -0.900 0.000 -2.670) 2.818 8.707 ( -4.751 0.000 -13.585) 14.392 9.178 ( -0.853 0.000 6.666) 6.720 9.358 ( 1.360 -0.000 -0.408) 1.419 9.487 ( -2.220 0.000 -5.676) 6.094 9.992 ( 0.032 -0.000 0.238) 0.240 9.995 ( 0.955 -0.000 -0.603) 1.129 10.302 ( 0.999 -0.000 -0.895) 1.342 10.498 ( -0.780 0.000 1.650) 1.825 10.600 ( 2.217 -0.000 -6.417) 6.789 10.777 ( 1.618 -0.000 -3.460) 3.820 11.602 ( -1.825 0.000 0.696) 1.953 11.757 ( -0.183 0.000 -3.550) 3.555 11.823 ( -1.646 0.000 0.287) 1.671 12.086 ( -4.197 0.000 -6.019) 7.338 13.155 ( -1.020 0.000 3.185) 3.344 13.419 ( 4.808 -0.000 -5.484) 7.293 13.864 ( -5.247 0.000 6.092) 8.040 14.270 ( 1.335 -0.000 -3.017) 3.300 15.984 ( -0.962 0.000 0.485) 1.077 15.987 ( -5.203 0.000 -11.626) 12.737 16.175 ( -2.413 0.000 1.213) 2.701 16.271 ( -1.009 0.000 -0.492) 1.123 16.637 ( 1.792 -0.000 -0.322) 1.820 16.675 ( 1.355 -0.000 -0.674) 1.513 16.740 ( -1.295 0.000 2.643) 2.943 16.866 ( 1.003 -0.000 -2.358) 2.562 17.317 ( 0.570 -0.000 2.701) 2.760 17.419 ( 3.878 -0.000 11.522) 12.157 17.427 ( 1.115 -0.000 -0.449) 1.202 17.581 ( 0.037 -0.000 -1.552) 1.552 27.497 ( -0.660 0.000 0.889) 1.107 27.644 ( 0.697 -0.000 1.051) 1.261 27.847 ( -0.318 0.000 -1.163) 1.205 27.930 ( 0.730 -0.000 -0.863) 1.130 28.920 ( -0.336 0.000 2.633) 2.655 29.144 ( 16.036 -0.000 30.067) 34.076 29.189 ( 0.284 -0.000 0.660) 0.718 29.272 ( 5.461 -0.000 7.356) 9.162 29.345 ( -1.095 0.000 -0.981) 1.470 29.420 ( -0.353 0.000 3.438) 3.456 29.896 ( -1.064 0.000 0.850) 1.361 30.070 ( 0.734 -0.000 -1.558) 1.722 30.717 ( -4.315 0.000 -0.090) 4.316 31.068 ( -5.476 0.000 -0.465) 5.495 31.812 ( 3.483 -0.000 -0.103) 3.484 32.206 ( -15.566 0.000 -38.026) 41.088 ======================= Grid point 166 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -5.606 0.000 24.074) 24.718 0.937 ( 0.028 -0.000 24.201) 24.201 1.581 ( 6.623 -0.000 -9.437) 11.529 1.683 ( -0.364 0.000 28.597) 28.600 1.732 ( -0.707 0.000 -16.265) 16.280 1.851 ( 2.094 -0.000 5.734) 6.105 1.980 ( -2.323 0.000 -4.657) 5.204 2.172 ( 1.289 -0.000 5.656) 5.801 2.265 ( -3.544 0.000 -1.426) 3.820 2.389 ( 2.830 -0.000 -13.401) 13.697 2.408 ( -0.178 0.000 3.537) 3.541 2.559 ( 2.393 -0.000 -7.288) 7.671 2.624 ( 6.710 -0.000 5.306) 8.554 2.911 ( -3.916 0.000 4.756) 6.160 3.276 ( -11.079 0.000 4.569) 11.984 3.302 ( 2.381 -0.000 3.750) 4.442 3.417 ( -1.940 0.000 3.707) 4.184 3.482 ( 1.556 -0.000 6.989) 7.160 3.510 ( -4.336 0.000 8.074) 9.165 3.614 ( 0.851 -0.000 -3.751) 3.847 3.737 ( 4.881 -0.000 1.357) 5.066 3.844 ( -10.470 0.000 1.743) 10.614 3.920 ( 12.369 -0.000 3.628) 12.890 4.011 ( -3.578 0.000 -9.492) 10.144 4.051 ( 5.722 -0.000 -3.805) 6.872 4.093 ( -5.547 0.000 -3.092) 6.350 4.355 ( 3.187 -0.000 2.040) 3.784 4.714 ( 3.593 -0.000 -2.442) 4.344 4.722 ( 5.442 -0.000 8.045) 9.713 4.800 ( 1.470 -0.000 -2.716) 3.088 4.827 ( -3.329 0.000 -6.805) 7.575 5.057 ( -3.226 0.000 -5.893) 6.718 5.111 ( 16.780 -0.000 1.932) 16.891 5.116 ( -9.667 0.000 -8.636) 12.962 5.550 ( -6.277 0.000 5.117) 8.098 5.674 ( 4.245 -0.000 -4.248) 6.005 5.927 ( 5.773 -0.000 -3.021) 6.516 5.942 ( -7.937 0.000 0.317) 7.943 5.998 ( 9.202 -0.000 0.230) 9.204 6.073 ( -3.401 0.000 -4.608) 5.727 6.287 ( 0.857 -0.000 -1.646) 1.856 6.317 ( -2.830 0.000 -3.203) 4.275 6.549 ( -0.013 0.000 3.328) 3.328 6.705 ( -6.196 0.000 -4.442) 7.624 7.410 ( -1.286 0.000 1.261) 1.801 7.461 ( 2.745 -0.000 -0.772) 2.851 7.691 ( 3.263 -0.000 7.945) 8.589 7.930 ( -8.682 0.000 -4.196) 9.643 8.531 ( -0.064 0.000 9.536) 9.536 8.764 ( 7.876 -0.000 9.230) 12.133 8.872 ( 5.078 -0.000 -9.819) 11.055 9.089 ( 6.634 -0.000 -5.256) 8.464 9.379 ( 0.828 -0.000 0.633) 1.042 9.415 ( -0.997 0.000 -0.833) 1.299 9.987 ( -2.524 0.000 -0.530) 2.579 9.988 ( 0.259 -0.000 -0.275) 0.378 10.188 ( -15.136 0.000 2.195) 15.294 10.275 ( 3.713 -0.000 -2.187) 4.309 10.563 ( -1.943 0.000 3.870) 4.330 10.721 ( 2.403 -0.000 -3.969) 4.640 11.551 ( -1.854 0.000 0.377) 1.892 11.643 ( 1.090 -0.000 -4.123) 4.265 11.921 ( 2.231 -0.000 3.553) 4.196 11.980 ( -1.381 0.000 0.618) 1.513 13.197 ( -3.642 0.000 3.361) 4.956 13.361 ( 5.930 -0.000 -5.117) 7.832 13.953 ( -6.133 0.000 6.925) 9.250 14.193 ( 3.971 -0.000 -5.254) 6.586 15.984 ( -1.221 0.000 0.597) 1.360 16.022 ( 6.702 -0.000 -1.396) 6.846 16.185 ( -1.197 0.000 1.656) 2.043 16.243 ( 0.599 -0.000 -1.202) 1.343 16.654 ( -0.080 0.000 0.672) 0.676 16.696 ( 2.359 -0.000 -0.091) 2.361 16.736 ( -3.823 0.000 0.372) 3.841 16.760 ( -0.800 0.000 -2.535) 2.659 17.356 ( -3.566 0.000 2.998) 4.659 17.409 ( -3.843 0.000 3.070) 4.919 17.435 ( 1.137 -0.000 -0.608) 1.290 17.520 ( 1.139 -0.000 -3.106) 3.308 27.563 ( 0.344 -0.000 3.696) 3.712 27.711 ( 0.489 -0.000 -0.152) 0.512 27.757 ( -1.021 0.000 -0.796) 1.294 27.877 ( -0.003 0.000 -3.195) 3.195 29.145 ( 1.838 -0.000 7.162) 7.394 29.228 ( 0.752 -0.000 -0.724) 1.044 29.265 ( -0.932 0.000 4.183) 4.286 29.395 ( 4.194 -0.000 6.688) 7.894 29.395 ( -2.899 0.000 -1.960) 3.500 29.799 ( -3.591 0.000 -4.208) 5.533 30.002 ( 0.722 -0.000 -3.591) 3.663 30.029 ( 4.289 -0.000 -11.009) 11.815 30.759 ( -6.323 0.000 5.708) 8.518 30.955 ( -0.992 0.000 -3.800) 3.927 31.507 ( 7.606 -0.000 7.465) 10.657 31.747 ( -2.034 0.000 -4.982) 5.381 ======================= Grid point 167 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.638 -7.274 20.590) 21.898 1.195 ( 4.089 -12.161 21.026) 24.632 1.620 ( 7.406 -2.976 -9.521) 12.424 1.716 ( 1.068 -7.050 -14.559) 16.212 1.903 ( 2.119 -9.629 7.441) 12.352 1.973 ( -0.924 -5.806 1.665) 6.110 2.008 ( -2.324 -10.340 1.590) 10.716 2.189 ( 1.775 1.208 1.768) 2.781 2.244 ( -2.899 -1.182 3.980) 5.064 2.367 ( -0.254 -0.634 1.496) 1.645 2.466 ( 1.977 -7.345 -10.107) 12.649 2.607 ( 2.127 -8.147 -5.868) 10.263 2.769 ( 8.076 -3.706 11.788) 14.761 2.937 ( -4.750 -5.813 -2.106) 7.796 3.085 ( -11.708 8.342 5.081) 15.247 3.325 ( 4.486 4.532 -0.231) 6.381 3.388 ( -5.117 0.555 8.810) 10.204 3.532 ( -5.580 -1.595 9.612) 11.228 3.626 ( -0.659 -9.400 7.237) 11.882 3.650 ( 0.848 -4.984 -4.659) 6.875 3.717 ( -7.277 -0.948 3.743) 8.238 3.872 ( -2.569 -5.703 0.887) 6.318 3.943 ( 4.262 2.717 -1.244) 5.206 3.970 ( 1.482 1.164 -8.636) 8.839 4.085 ( -0.967 -2.149 -5.378) 5.872 4.132 ( 11.181 -4.554 0.462) 12.082 4.366 ( 1.175 2.628 1.744) 3.366 4.630 ( -1.691 5.901 -10.277) 11.970 4.731 ( -5.185 0.669 5.829) 7.830 4.797 ( -0.318 0.541 -3.477) 3.533 4.811 ( 3.249 0.065 0.862) 3.362 5.008 ( -2.198 -0.966 -8.392) 8.728 5.055 ( -2.959 -3.748 -1.846) 5.120 5.217 ( 12.472 2.847 0.717) 12.813 5.473 ( -7.596 4.544 2.222) 9.126 5.651 ( -2.870 1.107 -1.770) 3.549 5.826 ( -2.987 4.687 0.552) 5.585 5.967 ( -0.532 1.101 0.569) 1.349 6.021 ( -0.771 0.678 -4.786) 4.895 6.079 ( 14.524 0.795 0.488) 14.554 6.306 ( 3.407 -0.030 -2.743) 4.374 6.353 ( 4.291 -2.995 -4.482) 6.890 6.636 ( 5.248 -5.671 5.385) 9.418 6.684 ( -4.865 -4.765 -3.446) 7.632 7.331 ( -4.025 7.377 1.116) 8.477 7.433 ( 2.141 5.196 -1.509) 5.819 7.714 ( 2.805 5.199 9.072) 10.826 7.821 ( -8.494 2.505 -4.159) 9.784 8.458 ( -2.686 10.683 8.865) 14.140 8.734 ( 0.360 6.992 -6.426) 9.503 8.859 ( -0.445 0.927 2.670) 2.862 8.988 ( 2.776 7.656 -5.364) 9.751 9.392 ( -5.398 0.673 0.014) 5.440 9.499 ( 6.865 -3.388 -3.791) 8.542 9.860 ( -7.198 8.021 0.830) 10.809 9.915 ( 1.814 8.336 0.588) 8.552 10.153 ( -6.057 -2.135 3.376) 7.255 10.326 ( 5.132 -1.277 0.553) 5.317 10.590 ( -1.202 -2.927 2.327) 3.928 10.730 ( 1.694 -1.367 -4.150) 4.686 11.555 ( -1.110 -1.327 1.283) 2.153 11.650 ( 1.351 -1.715 -3.784) 4.369 11.948 ( 2.780 0.924 3.315) 4.424 11.994 ( 1.452 -1.156 -0.769) 2.009 13.216 ( -2.776 -3.883 2.692) 5.480 13.398 ( 5.563 -1.806 -5.013) 7.703 13.931 ( -5.595 0.992 6.852) 8.902 14.181 ( 4.104 2.303 -4.918) 6.807 15.964 ( -1.178 1.301 -0.109) 1.758 16.025 ( 4.354 3.460 -1.913) 5.882 16.184 ( -0.732 0.333 1.857) 2.024 16.257 ( 2.062 -1.047 -1.593) 2.809 16.656 ( -0.766 -0.386 0.133) 0.868 16.678 ( -1.111 0.856 0.299) 1.434 16.740 ( 1.356 -1.103 1.579) 2.355 16.783 ( -1.499 -3.502 -2.790) 4.722 17.313 ( -3.373 2.758 6.264) 7.630 17.374 ( -1.674 0.775 1.777) 2.561 17.497 ( -1.936 -4.409 -1.462) 5.033 17.530 ( 0.987 -1.833 -2.184) 3.018 27.598 ( 0.710 -1.353 3.840) 4.132 27.709 ( 0.158 -0.800 -3.863) 3.948 27.756 ( -0.694 0.090 3.091) 3.169 27.857 ( -0.433 0.275 -3.369) 3.407 29.092 ( -2.040 10.065 1.381) 10.362 29.142 ( 2.355 5.024 1.314) 5.702 29.248 ( 2.776 3.632 6.056) 7.587 29.388 ( -2.049 0.877 -5.146) 5.608 29.512 ( 2.042 -3.501 10.857) 11.589 29.766 ( -2.167 -2.640 -1.693) 3.812 29.967 ( -1.677 0.394 -4.725) 5.029 30.107 ( -0.131 -10.447 -10.194) 14.597 30.781 ( -9.987 -7.508 7.526) 14.586 30.931 ( -0.997 -0.094 -3.254) 3.405 31.585 ( 12.862 6.354 2.971) 14.650 31.695 ( 1.866 1.766 -4.763) 5.412 ======================= Grid point 168 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 1.424 -9.676 14.979) 17.889 1.515 ( 6.679 -9.588 14.527) 18.644 1.685 ( 3.645 -5.391 -10.643) 12.475 1.795 ( 6.165 -4.883 -6.995) 10.525 2.003 ( -5.418 -4.450 -6.510) 9.568 2.102 ( 1.115 -6.745 6.715) 9.583 2.133 ( 1.948 -4.010 -1.368) 4.664 2.178 ( -0.862 -0.486 -4.266) 4.380 2.337 ( -3.777 -8.327 5.288) 10.562 2.445 ( -3.237 -4.133 10.059) 11.346 2.554 ( -0.233 -6.384 -8.815) 10.886 2.733 ( 2.355 -6.121 -8.351) 10.618 2.858 ( -3.208 1.642 4.807) 6.008 2.978 ( -3.407 -9.507 -1.026) 10.151 3.110 ( 2.331 -10.280 3.285) 11.041 3.254 ( -0.224 4.905 0.057) 4.910 3.396 ( -3.976 -0.768 12.914) 13.534 3.582 ( -0.801 -3.095 10.970) 11.427 3.712 ( -5.951 -3.729 6.448) 9.534 3.741 ( -1.100 -5.883 -5.328) 8.013 3.790 ( -3.177 -2.669 1.635) 4.460 3.900 ( 3.124 -2.780 -2.605) 4.927 3.969 ( 1.567 -6.543 -6.571) 9.405 4.005 ( 7.804 -2.937 -5.518) 9.999 4.120 ( -2.441 -8.626 -2.079) 9.203 4.251 ( 0.100 -2.841 -0.351) 2.864 4.297 ( -1.905 7.142 0.354) 7.400 4.530 ( 5.833 -1.280 -4.282) 7.348 4.700 ( -5.693 1.389 4.910) 7.645 4.795 ( -0.074 -3.615 1.912) 4.090 4.854 ( 1.056 -0.038 1.736) 2.032 4.981 ( -1.407 -2.705 -7.999) 8.560 5.112 ( 1.920 -3.426 -2.296) 4.550 5.230 ( 4.974 2.283 -5.124) 7.497 5.342 ( -6.229 5.788 5.566) 10.163 5.589 ( -1.522 3.089 -1.254) 3.664 5.737 ( -6.157 1.688 0.208) 6.388 5.889 ( -0.941 5.919 0.890) 6.059 6.013 ( 1.597 -0.453 -4.116) 4.438 6.202 ( 13.054 -0.938 -0.984) 13.125 6.326 ( 5.967 0.161 -1.246) 6.098 6.403 ( 6.324 -0.478 -1.959) 6.637 6.724 ( -3.517 -4.511 -1.259) 5.857 6.811 ( 6.538 -4.680 3.925) 8.948 7.128 ( -6.343 11.867 0.920) 13.487 7.339 ( 3.925 7.542 0.031) 8.503 7.634 ( -0.090 11.277 8.037) 13.848 7.664 ( -7.057 5.891 -6.091) 11.028 8.313 ( -1.410 8.251 8.797) 12.143 8.577 ( 1.213 7.776 -9.939) 12.678 8.750 ( -11.118 0.126 -6.311) 12.784 8.985 ( 10.058 4.255 6.524) 12.722 9.278 ( -8.213 5.909 -0.628) 10.137 9.450 ( -0.610 9.241 -3.138) 9.778 9.658 ( -3.970 10.238 0.041) 10.981 9.808 ( 3.092 7.017 1.993) 7.923 10.165 ( -2.671 -2.015 1.731) 3.767 10.374 ( 2.592 0.869 3.668) 4.574 10.655 ( 1.439 -3.328 0.217) 3.632 10.745 ( 1.507 -1.289 -4.332) 4.764 11.585 ( -0.807 -1.947 2.488) 3.261 11.671 ( 0.956 -1.617 -3.635) 4.091 11.973 ( 2.429 0.390 2.528) 3.528 12.018 ( 2.525 -0.380 -1.668) 3.050 13.303 ( -1.881 -7.208 1.451) 7.589 13.457 ( 4.174 -3.337 -4.328) 6.877 13.900 ( -4.371 1.590 6.016) 7.604 14.134 ( 3.724 4.453 -4.372) 7.267 15.928 ( -0.773 1.567 -0.452) 1.804 15.986 ( 2.525 3.168 -1.251) 4.240 16.186 ( -0.732 -0.347 2.050) 2.204 16.285 ( 2.398 -0.728 -0.968) 2.687 16.647 ( -2.839 -0.949 -1.906) 3.548 16.678 ( 0.349 -0.001 2.256) 2.283 16.782 ( 1.404 -1.623 0.230) 2.158 16.818 ( 0.214 -2.899 -2.052) 3.558 17.292 ( -2.649 1.358 7.391) 7.968 17.347 ( -2.531 0.591 -0.455) 2.638 17.542 ( -1.147 -3.551 -1.387) 3.981 17.571 ( 0.856 -2.608 -0.294) 2.761 27.651 ( 0.866 -1.972 3.402) 4.026 27.708 ( 0.247 -1.245 -3.700) 3.912 27.769 ( -0.394 -0.114 3.769) 3.792 27.831 ( -0.755 0.232 -3.437) 3.526 28.930 ( -4.342 6.373 -0.961) 7.771 29.075 ( 5.043 6.373 0.181) 8.129 29.233 ( 2.018 4.404 6.515) 8.119 29.308 ( -0.565 3.545 -5.740) 6.770 29.601 ( 0.594 0.501 10.508) 10.537 29.788 ( -0.265 -1.941 -5.220) 5.576 29.958 ( -3.856 -1.713 5.813) 7.183 30.209 ( -2.520 -9.546 -13.589) 16.797 30.904 ( -5.156 -8.313 4.211) 10.650 30.910 ( -3.425 -3.137 -1.721) 4.953 31.542 ( 7.894 8.669 0.783) 11.751 31.696 ( 7.201 0.817 -1.346) 7.371 ======================= Grid point 169 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 1.857 -6.559 7.584) 10.197 1.723 ( 4.305 -4.891 -1.737) 6.743 1.788 ( 3.408 -9.105 -1.712) 9.872 1.880 ( 1.170 -2.693 0.513) 2.980 2.008 ( 0.923 -2.433 -4.038) 4.804 2.138 ( -3.401 -0.590 -4.000) 5.283 2.161 ( 1.371 -0.354 0.986) 1.726 2.274 ( 1.930 -6.283 5.389) 8.500 2.420 ( -5.779 6.131 6.917) 10.901 2.461 ( -4.864 -6.213 2.429) 8.256 2.571 ( -2.655 -3.961 -6.225) 7.841 2.781 ( 2.712 -2.024 2.523) 4.221 2.867 ( 0.224 -0.754 -3.644) 3.728 3.110 ( -3.543 -1.571 0.167) 3.879 3.194 ( -3.027 -2.918 -0.745) 4.270 3.247 ( 4.372 -4.157 0.673) 6.070 3.477 ( -1.591 -1.574 9.587) 9.844 3.660 ( -2.374 1.650 0.515) 2.937 3.701 ( -7.758 -2.234 1.446) 8.202 3.802 ( 2.256 -1.454 -0.286) 2.699 3.870 ( 4.588 -5.417 7.631) 10.422 3.930 ( 1.952 -3.214 -6.404) 7.427 4.048 ( 4.190 -3.520 -6.024) 8.139 4.117 ( 0.396 -3.934 -11.275) 11.949 4.157 ( 0.694 -0.658 0.534) 1.096 4.330 ( 0.211 -10.453 1.723) 10.596 4.340 ( -2.375 -13.448 2.281) 13.845 4.630 ( 3.512 -1.926 -0.373) 4.023 4.699 ( -0.485 -2.344 10.121) 10.400 4.841 ( -2.521 -0.010 0.594) 2.590 4.907 ( -0.244 -5.659 6.641) 8.729 5.007 ( 0.638 -5.128 -6.012) 7.928 5.135 ( -3.412 1.952 -7.622) 8.576 5.184 ( 3.530 -0.744 -1.067) 3.762 5.286 ( -2.296 -1.555 -0.248) 2.784 5.540 ( -0.455 1.179 1.285) 1.803 5.656 ( -5.268 3.637 0.204) 6.405 5.797 ( -2.044 4.216 1.679) 4.977 6.022 ( 2.772 -2.351 -6.295) 7.269 6.266 ( 8.838 1.308 -5.149) 10.312 6.382 ( 7.009 1.024 0.792) 7.128 6.468 ( 4.496 -1.837 2.881) 5.647 6.734 ( -0.535 1.603 0.504) 1.763 6.858 ( -6.898 5.018 -0.562) 8.548 6.913 ( 5.948 7.600 0.105) 9.651 7.250 ( 1.985 8.312 1.689) 8.712 7.439 ( -2.769 13.673 6.996) 15.606 7.490 ( -3.771 4.540 -5.292) 7.927 8.271 ( 1.122 1.745 8.196) 8.454 8.416 ( 0.236 5.880 -9.950) 11.560 8.660 ( -8.049 -0.986 -5.480) 9.788 8.982 ( 3.849 7.788 6.436) 10.812 9.091 ( -5.663 7.803 -1.426) 9.746 9.276 ( 0.641 7.154 -0.151) 7.185 9.489 ( -2.534 6.142 -0.956) 6.712 9.741 ( 1.841 4.876 2.070) 5.608 10.187 ( -0.623 -1.183 0.929) 1.628 10.377 ( -0.290 1.882 4.530) 4.914 10.694 ( 0.825 -0.740 -3.707) 3.869 10.764 ( 2.395 -1.358 -1.643) 3.206 11.625 ( -1.074 -1.858 3.219) 3.869 11.681 ( 0.531 -0.916 -2.920) 3.106 11.992 ( 1.196 -0.083 -0.379) 1.258 12.029 ( 2.498 0.772 -0.468) 2.656 13.419 ( -1.385 -7.248 0.327) 7.387 13.530 ( 2.479 -3.981 -2.594) 5.360 13.871 ( -2.656 1.239 4.040) 4.991 14.054 ( 2.897 5.766 -3.560) 7.369 15.904 ( -0.524 0.446 -0.302) 0.751 15.954 ( 1.789 2.019 -0.578) 2.759 16.205 ( -0.231 -1.090 2.313) 2.567 16.305 ( 1.508 -0.085 -0.407) 1.564 16.627 ( -3.005 -0.459 -1.680) 3.473 16.695 ( 0.493 -0.077 2.588) 2.636 16.810 ( 1.035 -1.338 -2.861) 3.324 16.860 ( 1.503 -1.830 -0.596) 2.442 17.279 ( -2.947 1.044 3.050) 4.368 17.330 ( -1.783 -0.368 2.750) 3.298 17.580 ( -0.383 -2.416 -1.223) 2.735 17.621 ( 0.779 -2.326 0.885) 2.608 27.698 ( 0.168 -1.369 0.688) 1.542 27.718 ( 0.777 -0.500 -0.206) 0.947 27.790 ( 0.037 -0.630 3.272) 3.332 27.809 ( -0.631 -0.586 -3.257) 3.369 28.801 ( -4.745 3.785 -2.722) 6.652 29.029 ( 4.157 3.518 -0.303) 5.454 29.196 ( 1.967 4.715 1.148) 5.236 29.218 ( 0.901 4.705 -0.873) 4.870 29.617 ( -0.290 2.683 8.282) 8.711 29.777 ( 1.550 0.332 -6.128) 6.329 29.993 ( -6.385 -1.939 11.037) 12.897 30.251 ( -3.901 -7.630 -15.900) 18.062 30.923 ( 3.186 -1.731 0.359) 3.643 31.053 ( -6.157 -10.463 2.383) 12.372 31.439 ( 4.778 9.496 -1.608) 10.751 31.765 ( 6.484 -1.547 2.686) 7.186 ======================= Grid point 170 (75/140) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -1.887 0.205 2.220) 2.921 1.797 ( 2.713 -3.246 -4.962) 6.521 1.887 ( -3.879 -1.215 1.196) 4.237 1.946 ( 0.563 -2.701 -1.531) 3.156 2.035 ( 3.159 0.976 -2.000) 3.864 2.090 ( -3.039 -1.487 -4.034) 5.265 2.184 ( 2.479 -0.545 2.815) 3.790 2.333 ( -1.594 4.105 8.065) 9.189 2.415 ( 0.130 -5.657 5.779) 8.088 2.462 ( -4.886 -2.169 1.378) 5.521 2.632 ( -1.192 -4.704 -1.748) 5.158 2.814 ( 4.507 4.211 -1.614) 6.376 2.874 ( -0.260 -2.271 3.253) 3.975 3.084 ( -0.598 -1.588 -3.105) 3.539 3.223 ( 3.434 0.584 -1.040) 3.635 3.275 ( 1.583 2.972 1.718) 3.780 3.456 ( -5.926 3.864 3.460) 7.875 3.606 ( -3.134 0.250 -4.732) 5.681 3.698 ( -0.518 1.160 2.903) 3.169 3.824 ( 2.672 2.231 -3.720) 5.095 3.846 ( -2.761 4.169 2.206) 5.466 3.998 ( 3.552 0.982 9.791) 10.462 4.087 ( 0.103 -1.100 -9.729) 9.791 4.153 ( 1.040 -7.468 -2.618) 7.982 4.322 ( 4.270 -10.545 -4.459) 12.219 4.440 ( -2.291 -2.820 -0.633) 3.688 4.547 ( 5.960 -4.033 3.837) 8.155 4.656 ( -0.309 -0.056 2.854) 2.871 4.795 ( -1.602 -1.494 6.683) 7.033 4.854 ( -2.911 -4.861 -1.003) 5.754 4.946 ( -2.094 1.746 5.723) 6.340 5.076 ( -0.905 -3.008 -2.794) 4.204 5.120 ( -2.071 -7.223 -0.938) 7.572 5.243 ( 6.260 -1.009 -2.090) 6.676 5.324 ( 0.515 -4.593 -4.551) 6.487 5.505 ( -7.365 2.931 -0.038) 7.927 5.573 ( -0.682 0.411 0.820) 1.143 5.731 ( -1.227 3.014 1.253) 3.487 6.093 ( 2.826 -6.590 -5.175) 8.843 6.281 ( 6.317 1.220 -3.696) 7.420 6.371 ( 0.845 4.181 1.667) 4.580 6.553 ( 4.927 -3.149 0.861) 5.910 6.645 ( -0.419 7.521 1.493) 7.680 6.718 ( -6.817 2.713 -2.178) 7.654 6.885 ( 8.539 2.362 -4.085) 9.757 7.104 ( -3.037 7.001 0.512) 7.649 7.272 ( -0.653 6.519 5.796) 8.747 7.421 ( -2.495 1.174 0.077) 2.758 8.273 ( -2.601 6.526 0.938) 7.088 8.344 ( 2.689 -3.701 0.122) 4.576 8.600 ( -3.448 -2.892 -7.491) 8.739 8.905 ( -2.562 2.197 2.645) 4.288 8.960 ( 0.340 4.474 -0.215) 4.492 9.234 ( 4.379 3.032 3.328) 6.281 9.411 ( -1.629 0.697 -1.813) 2.536 9.698 ( 0.293 2.400 2.093) 3.198 10.200 ( -0.107 -0.423 0.316) 0.539 10.361 ( -1.761 1.682 5.152) 5.698 10.675 ( -0.134 -0.003 -5.359) 5.361 10.800 ( 2.182 -0.915 -0.623) 2.447 11.647 ( -2.025 -0.934 -0.010) 2.230 11.697 ( 0.683 -1.114 1.977) 2.370 11.981 ( 0.320 0.650 -5.081) 5.132 12.036 ( 1.353 0.846 2.580) 3.033 13.505 ( -0.962 -3.824 -0.288) 3.954 13.581 ( 0.910 -0.496 0.008) 1.036 13.870 ( -0.434 -1.586 0.615) 1.755 13.968 ( 1.482 4.469 -2.183) 5.190 15.898 ( -0.609 -0.190 -0.346) 0.726 15.945 ( 1.711 0.616 0.103) 1.821 16.234 ( -0.380 -0.996 2.406) 2.632 16.306 ( 0.410 0.582 -0.416) 0.825 16.600 ( -2.140 0.369 -0.793) 2.312 16.710 ( 0.237 0.234 2.433) 2.456 16.817 ( 1.340 -0.277 -3.403) 3.668 16.891 ( 1.587 -1.117 -1.292) 2.332 17.248 ( -2.842 0.761 0.811) 3.052 17.349 ( -1.121 -0.786 4.567) 4.768 17.602 ( -0.055 -1.135 -1.389) 1.795 17.665 ( 0.674 -1.632 1.131) 2.097 27.704 ( -0.220 0.397 -0.739) 0.867 27.720 ( -0.061 0.963 1.375) 1.680 27.807 ( 0.003 -1.279 -2.081) 2.443 27.831 ( 0.903 -1.548 2.130) 2.784 28.709 ( -3.747 1.300 -2.895) 4.910 29.014 ( 1.002 0.684 -1.283) 1.766 29.117 ( 3.198 4.449 -5.645) 7.867 29.180 ( 2.038 3.825 6.807) 8.069 29.606 ( 0.467 2.142 4.966) 5.428 29.743 ( -0.648 1.993 -0.853) 2.263 30.029 ( -3.864 -1.281 9.673) 10.494 30.253 ( -4.395 -6.485 -16.793) 18.530 31.015 ( 5.865 -2.255 5.690) 8.477 31.161 ( -5.488 -7.059 0.672) 8.967 31.301 ( 1.827 7.297 -5.930) 9.579 31.850 ( 3.817 -1.224 3.805) 5.526 ======================= Grid point 171 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -6.574 7.189 3.211) 10.257 1.689 ( -6.685 12.725 -2.366) 14.568 1.884 ( 1.998 -2.122 -0.338) 2.935 1.921 ( -1.546 2.978 -0.595) 3.407 2.023 ( 0.144 0.180 1.024) 1.050 2.159 ( 0.937 -7.093 -5.755) 9.182 2.220 ( 1.145 3.210 0.195) 3.414 2.312 ( 0.162 0.092 6.990) 6.993 2.464 ( -0.836 -2.308 0.834) 2.593 2.573 ( 1.156 -3.597 6.969) 7.927 2.650 ( -0.885 -1.478 -2.798) 3.286 2.763 ( 3.097 4.266 0.883) 5.345 2.905 ( 2.365 0.870 -0.881) 2.669 3.116 ( 2.731 -2.146 -2.281) 4.155 3.234 ( 0.899 2.492 5.847) 6.419 3.241 ( 1.990 2.982 -0.411) 3.609 3.369 ( -9.328 -0.209 3.962) 10.137 3.526 ( 0.483 5.210 -2.996) 6.030 3.654 ( 0.834 6.048 4.915) 7.838 3.738 ( -3.077 4.745 2.581) 6.217 3.828 ( 7.358 1.790 -6.149) 9.755 4.015 ( 0.174 3.692 -2.134) 4.268 4.041 ( 0.313 2.011 1.963) 2.828 4.246 ( 1.625 0.726 -3.434) 3.868 4.313 ( -2.384 9.570 -1.755) 10.017 4.428 ( 0.509 -1.004 1.310) 1.728 4.632 ( 1.135 -0.376 1.361) 1.811 4.688 ( 0.938 -1.074 4.864) 5.069 4.784 ( -1.571 -0.493 -1.550) 2.261 4.908 ( 0.988 0.596 -1.907) 2.229 4.934 ( -2.421 2.852 5.603) 6.737 5.022 ( -2.351 5.983 -0.659) 6.462 5.192 ( -1.708 -2.862 -2.002) 3.888 5.242 ( 5.603 6.096 -1.041) 8.345 5.353 ( -0.040 -1.315 -1.830) 2.254 5.496 ( 0.655 -7.567 -4.075) 8.619 5.567 ( -5.511 -1.923 1.264) 5.972 5.699 ( 1.745 2.255 1.649) 3.294 6.153 ( -0.635 -1.384 -7.149) 7.310 6.283 ( 5.161 3.067 -3.062) 6.739 6.360 ( -0.937 -3.220 2.592) 4.239 6.553 ( -6.350 1.614 1.759) 6.783 6.632 ( -0.785 -3.039 -0.271) 3.150 6.700 ( 4.722 -5.518 -1.270) 7.372 6.935 ( 1.427 -5.649 -4.849) 7.580 7.046 ( -0.886 -2.184 2.118) 3.169 7.288 ( 4.596 -3.038 5.160) 7.549 7.380 ( -3.615 1.350 2.061) 4.375 8.140 ( -5.844 4.731 2.771) 8.013 8.469 ( 4.296 -8.273 -2.908) 9.765 8.655 ( 0.781 -7.986 -8.122) 11.417 8.903 ( -1.411 -2.502 1.920) 3.455 8.958 ( 3.368 -2.069 0.753) 4.023 9.243 ( 2.953 1.680 3.371) 4.786 9.414 ( -0.826 -3.423 -2.330) 4.222 9.694 ( -1.004 -1.103 2.342) 2.777 10.204 ( 0.027 -0.014 -0.017) 0.035 10.351 ( -3.221 0.324 6.016) 6.832 10.651 ( -0.166 -0.461 -4.827) 4.852 10.817 ( 1.386 0.020 -1.325) 1.918 11.633 ( -2.242 -0.154 -1.154) 2.526 11.739 ( 0.121 -1.309 4.630) 4.813 11.932 ( -0.531 1.616 -6.065) 6.299 12.043 ( 0.296 0.594 2.481) 2.568 13.519 ( 0.355 1.518 -1.098) 1.907 13.546 ( 0.130 5.346 1.371) 5.520 13.896 ( -0.194 -0.298 0.605) 0.701 13.955 ( 0.602 -4.291 -2.461) 4.983 15.896 ( -0.169 -0.172 -0.262) 0.356 15.956 ( 0.922 -0.439 -0.234) 1.048 16.249 ( -1.427 -0.016 2.510) 2.887 16.293 ( -0.155 0.581 -0.561) 0.823 16.580 ( -0.321 0.469 -0.059) 0.572 16.712 ( -0.124 0.859 1.961) 2.145 16.805 ( 1.121 1.203 -2.480) 2.975 16.913 ( 1.811 -0.855 -2.211) 2.983 17.221 ( -2.780 0.478 1.795) 3.343 17.375 ( -0.768 -0.663 3.682) 3.820 17.604 ( 0.236 -0.002 -1.728) 1.744 17.693 ( 0.367 -0.665 0.422) 0.869 27.674 ( -0.721 2.489 0.805) 2.713 27.713 ( 0.119 0.583 0.732) 0.944 27.815 ( -0.032 -0.842 -2.087) 2.251 27.872 ( 1.149 -1.220 0.806) 1.860 28.677 ( -1.842 -1.609 -1.597) 2.921 28.999 ( -0.932 0.243 -2.053) 2.268 29.069 ( 3.678 2.040 -2.274) 4.781 29.191 ( 2.807 0.970 6.160) 6.839 29.610 ( 0.620 -0.357 0.681) 0.987 29.698 ( -2.016 3.604 6.665) 7.840 30.057 ( 0.476 1.007 4.657) 4.789 30.245 ( -3.764 -5.936 -13.908) 15.583 31.038 ( 1.420 9.131 5.221) 10.614 31.194 ( -6.097 -2.767 -2.653) 7.202 31.274 ( 3.945 -6.802 -3.588) 8.643 31.892 ( 0.630 0.116 2.139) 2.233 ======================= Grid point 172 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -6.726 16.102 4.994) 18.151 1.423 ( -9.096 11.413 7.287) 16.313 1.829 ( -2.395 5.396 0.161) 5.906 1.921 ( 1.858 -0.025 -2.517) 3.128 2.023 ( -1.275 0.456 0.684) 1.518 2.132 ( -0.459 5.281 0.069) 5.302 2.229 ( 0.694 -3.602 -5.086) 6.271 2.350 ( 1.509 1.403 3.898) 4.409 2.483 ( -1.738 0.441 0.120) 1.797 2.532 ( 0.879 8.156 -0.304) 8.209 2.685 ( 5.388 3.324 -2.175) 6.694 2.741 ( 0.707 1.749 3.742) 4.191 2.906 ( 2.582 1.318 -0.430) 2.930 3.148 ( -2.307 1.239 -0.427) 2.653 3.160 ( 1.829 1.140 -1.626) 2.700 3.200 ( -1.167 9.329 8.202) 12.476 3.368 ( -10.694 -4.120 6.518) 13.184 3.452 ( 5.241 5.177 4.353) 8.557 3.571 ( 1.486 7.291 3.410) 8.185 3.639 ( 1.552 6.165 3.615) 7.314 3.821 ( 5.961 3.610 -5.317) 8.766 3.892 ( -2.981 7.846 -0.708) 8.423 4.012 ( 3.523 3.477 0.234) 4.955 4.043 ( 1.481 9.841 -1.720) 10.100 4.290 ( 4.432 3.132 -7.402) 9.178 4.405 ( -2.003 2.956 4.929) 6.087 4.555 ( -2.337 7.250 -2.068) 7.893 4.673 ( -9.440 4.923 10.010) 14.613 4.768 ( 1.192 6.634 -0.612) 6.768 4.844 ( 2.309 -3.818 -5.288) 6.919 4.882 ( -0.486 3.367 3.121) 4.616 4.950 ( 0.213 2.112 -2.004) 2.920 5.147 ( -1.164 2.574 -7.049) 7.594 5.201 ( 2.494 1.478 -2.333) 3.721 5.409 ( 1.867 -3.354 2.659) 4.670 5.569 ( -3.178 -4.950 -2.604) 6.433 5.633 ( 8.920 -4.023 -3.732) 10.473 5.696 ( -1.465 -0.579 3.371) 3.721 6.133 ( -1.277 -2.949 -9.347) 9.884 6.241 ( -1.503 1.770 -2.425) 3.358 6.391 ( -3.880 -1.393 1.151) 4.280 6.503 ( -4.528 0.445 1.421) 4.767 6.694 ( -1.262 -1.769 1.829) 2.841 6.829 ( 1.551 -6.818 -0.572) 7.015 7.055 ( -0.944 -10.059 -3.551) 10.709 7.159 ( 1.514 -8.693 3.321) 9.428 7.345 ( -4.699 -1.479 3.199) 5.874 7.500 ( 10.206 -10.690 5.038) 15.614 8.085 ( -3.295 -0.784 4.072) 5.296 8.603 ( 3.328 -4.476 -6.888) 8.863 8.730 ( -0.371 -5.183 -10.316) 11.551 8.989 ( 0.963 -7.110 5.385) 8.970 9.098 ( 5.974 -8.869 0.325) 10.698 9.256 ( 0.067 -0.725 1.297) 1.488 9.498 ( 0.356 -8.357 -1.693) 8.534 9.744 ( -1.725 -5.023 1.995) 5.673 10.203 ( 0.055 0.058 -0.017) 0.081 10.359 ( -5.089 -1.595 6.558) 8.452 10.640 ( 0.246 -0.479 -3.612) 3.652 10.807 ( 1.258 1.313 -2.366) 2.984 11.611 ( -2.136 0.132 -0.434) 2.183 11.774 ( -0.410 -0.124 3.015) 3.046 11.872 ( -1.128 1.265 -3.886) 4.240 12.043 ( -0.687 0.599 1.748) 1.971 13.435 ( -0.036 7.880 1.182) 7.968 13.468 ( 2.004 4.651 -1.777) 5.367 13.914 ( -2.921 -2.103 3.509) 5.026 14.038 ( 1.838 -5.529 -4.008) 7.072 15.900 ( 0.381 -0.417 -0.254) 0.620 15.967 ( -0.226 -0.769 -0.788) 1.124 16.233 ( -2.348 1.205 2.140) 3.398 16.285 ( -0.405 -0.088 -0.426) 0.595 16.582 ( 1.578 -0.018 0.230) 1.594 16.702 ( 0.092 1.261 1.626) 2.060 16.774 ( 0.300 1.906 -1.173) 2.258 16.923 ( 1.643 0.044 -2.855) 3.294 17.209 ( -2.641 -0.258 3.513) 4.402 17.390 ( -0.843 -0.032 2.578) 2.713 17.589 ( 0.673 1.069 -2.121) 2.469 17.694 ( -0.152 0.450 -1.179) 1.271 27.627 ( -0.752 3.013 1.748) 3.564 27.708 ( 0.431 0.853 1.290) 1.605 27.812 ( -0.400 -0.376 -2.512) 2.571 27.893 ( 0.849 -0.500 -1.122) 1.493 28.722 ( 0.263 -4.806 0.749) 4.871 28.988 ( 1.351 0.145 0.026) 1.359 29.081 ( 1.168 -1.436 0.029) 1.851 29.247 ( 2.624 -1.503 5.263) 6.070 29.609 ( -5.789 -1.563 -2.952) 6.683 29.685 ( 4.385 3.641 12.795) 14.007 30.037 ( 2.935 3.311 -3.200) 5.460 30.260 ( 0.770 -2.983 -6.694) 7.369 30.878 ( -3.850 8.647 0.627) 9.487 31.149 ( -4.098 1.440 -3.319) 5.467 31.443 ( 2.568 -9.686 0.016) 10.020 31.872 ( -3.621 1.293 -1.524) 4.136 ======================= Grid point 173 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.828 16.209 15.363) 22.511 1.212 ( -11.666 11.383 15.187) 22.278 1.714 ( -1.271 5.246 -4.161) 6.816 1.877 ( 1.387 4.213 -3.719) 5.788 1.959 ( -2.154 8.495 4.574) 9.886 2.095 ( 1.202 -0.111 -0.428) 1.281 2.221 ( -2.841 3.924 -2.992) 5.694 2.295 ( -3.185 19.060 8.219) 21.000 2.341 ( 1.394 0.816 1.588) 2.265 2.405 ( -3.874 5.204 -3.109) 7.194 2.610 ( 5.169 8.493 -4.234) 10.806 2.664 ( 2.896 11.840 0.574) 12.202 2.847 ( 1.840 5.320 -4.020) 6.917 3.058 ( 1.744 6.418 4.675) 8.129 3.091 ( -1.396 0.406 -0.144) 1.461 3.210 ( -3.331 -2.741 -1.031) 4.435 3.390 ( -1.341 -0.926 8.374) 8.531 3.456 ( -3.571 -0.727 7.812) 8.620 3.524 ( 2.659 1.691 7.927) 8.531 3.671 ( 7.760 0.936 2.733) 8.280 3.725 ( 1.091 8.469 6.626) 10.808 3.774 ( 0.889 1.368 -2.629) 3.094 3.943 ( 3.131 6.720 -0.596) 7.438 4.001 ( 5.183 2.058 -4.714) 7.303 4.177 ( 0.707 6.000 -5.868) 8.422 4.332 ( 0.640 6.836 -1.585) 7.047 4.437 ( -2.192 2.520 0.991) 3.484 4.570 ( -10.574 3.342 9.011) 14.289 4.707 ( 1.425 1.417 1.684) 2.621 4.808 ( -0.966 4.278 -0.051) 4.386 4.895 ( -1.620 -2.106 -8.093) 8.518 4.939 ( 6.247 0.323 0.239) 6.260 5.102 ( -0.000 -1.743 -4.960) 5.257 5.187 ( 1.260 -0.013 -4.338) 4.517 5.488 ( -0.317 -3.994 1.073) 4.148 5.633 ( 1.932 -2.969 -1.440) 3.823 5.734 ( -4.829 -5.274 4.228) 8.307 5.745 ( 12.423 -2.528 -6.151) 14.091 6.114 ( 0.597 1.581 -4.533) 4.838 6.184 ( -9.940 -2.833 -4.808) 11.400 6.376 ( -3.994 -0.044 -0.484) 4.024 6.478 ( -4.159 -2.124 -2.716) 5.402 6.651 ( -1.301 5.852 2.078) 6.345 6.903 ( -4.470 -1.889 -0.151) 4.855 7.189 ( 1.250 -7.917 -0.047) 8.015 7.352 ( -0.990 -10.520 1.424) 10.662 7.399 ( 1.688 -4.549 4.704) 6.758 7.802 ( 8.861 -12.005 2.451) 15.121 8.154 ( 0.503 -6.049 6.480) 8.879 8.596 ( -0.416 -0.333 -9.210) 9.226 8.732 ( 3.447 0.683 -3.936) 5.277 9.172 ( -0.113 -4.656 2.771) 5.420 9.221 ( 1.221 -6.322 -1.590) 6.633 9.351 ( 4.514 -6.955 1.586) 8.442 9.675 ( 1.213 -12.436 -1.062) 12.540 9.845 ( -1.528 -7.623 0.350) 7.782 10.204 ( 0.260 -0.230 -0.148) 0.377 10.379 ( -7.534 -3.020 5.169) 9.623 10.629 ( 0.013 0.728 -1.885) 2.021 10.773 ( 2.283 2.639 -3.475) 4.925 11.592 ( -1.829 0.221 0.242) 1.858 11.743 ( -0.305 2.692 -3.669) 4.561 11.860 ( -1.141 -0.715 2.899) 3.196 12.030 ( -2.037 0.501 1.124) 2.380 13.314 ( -1.179 6.696 2.579) 7.272 13.400 ( 3.771 4.366 -3.530) 6.764 13.943 ( -4.730 -2.210 5.349) 7.475 14.116 ( 2.723 -4.194 -4.799) 6.931 15.915 ( 1.140 -0.818 0.079) 1.405 15.973 ( -0.924 -1.057 -0.497) 1.489 16.204 ( -2.359 0.885 1.803) 3.098 16.277 ( -0.491 0.344 -1.004) 1.170 16.604 ( 2.380 -0.606 0.259) 2.470 16.690 ( 0.454 1.317 1.356) 1.944 16.744 ( -0.629 1.087 0.094) 1.259 16.903 ( 0.699 1.705 -3.531) 3.983 17.228 ( -2.140 -2.155 5.032) 5.878 17.387 ( -1.186 0.688 2.057) 2.472 17.561 ( 1.212 1.747 -2.582) 3.345 17.658 ( -0.963 2.353 -3.279) 4.149 27.584 ( -0.494 2.716 2.514) 3.734 27.705 ( 0.592 0.961 1.958) 2.260 27.798 ( -0.740 -0.131 -3.180) 3.268 27.894 ( 0.529 -0.183 -2.370) 2.435 28.846 ( 1.435 -8.012 3.307) 8.785 29.028 ( 3.377 -1.983 3.208) 5.062 29.127 ( -0.957 -3.640 0.602) 3.811 29.319 ( 1.852 -1.449 4.957) 5.486 29.560 ( -5.409 0.861 0.926) 5.555 29.751 ( 3.115 -0.317 9.048) 9.574 29.982 ( 7.601 4.461 -6.389) 10.885 30.262 ( 6.719 4.454 -4.115) 9.051 30.740 ( -4.294 3.516 2.206) 5.972 31.062 ( -3.517 2.718 -3.756) 5.819 31.598 ( -1.887 -7.121 0.247) 7.371 31.776 ( -8.245 1.537 -6.146) 10.398 ======================= Grid point 174 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.796 8.714 24.748) 26.249 1.013 ( -8.881 12.535 20.684) 25.764 1.614 ( 2.317 3.464 -7.407) 8.499 1.725 ( -5.746 17.562 23.719) 30.067 1.819 ( 3.227 3.671 -4.517) 6.656 1.970 ( -3.082 12.449 -5.902) 14.117 2.075 ( -0.815 7.678 0.084) 7.722 2.141 ( -0.077 0.506 2.371) 2.426 2.284 ( -2.925 0.394 0.142) 2.955 2.414 ( 0.231 -3.807 -5.306) 6.534 2.462 ( 1.307 9.527 5.500) 11.078 2.535 ( 6.484 4.111 -8.119) 11.174 2.716 ( 0.798 8.010 -6.440) 10.309 2.962 ( -0.944 6.801 6.015) 9.128 3.209 ( 0.564 -9.788 0.975) 9.853 3.225 ( -1.433 -3.851 0.669) 4.163 3.386 ( -3.623 1.306 7.875) 8.766 3.510 ( 0.332 2.703 7.957) 8.410 3.542 ( -2.480 4.091 8.182) 9.478 3.614 ( 3.389 0.297 4.655) 5.765 3.755 ( 1.708 3.114 -1.117) 3.723 3.842 ( 5.889 4.151 -2.591) 7.656 3.894 ( 5.735 -5.257 3.772) 8.646 3.949 ( 2.142 1.332 -3.905) 4.649 4.103 ( -2.327 0.380 -5.914) 6.367 4.218 ( -6.437 5.257 -0.468) 8.324 4.359 ( -1.416 3.683 -1.204) 4.126 4.559 ( 4.928 -1.999 10.747) 11.990 4.719 ( 3.590 2.180 0.357) 4.215 4.794 ( 1.981 -2.315 -1.872) 3.576 4.865 ( -3.026 -1.536 -6.801) 7.600 4.992 ( 9.230 0.925 2.220) 9.538 5.105 ( -1.740 -0.197 -3.009) 3.482 5.182 ( -2.323 -3.267 -8.960) 9.816 5.542 ( -3.912 -3.100 3.230) 5.945 5.659 ( 4.190 0.568 -3.593) 5.549 5.821 ( -1.024 -6.254 1.701) 6.562 5.873 ( 10.347 -4.085 -2.852) 11.484 6.054 ( -4.653 1.993 -1.279) 5.221 6.126 ( -6.487 -0.947 -4.754) 8.098 6.328 ( -2.701 1.388 -1.766) 3.513 6.427 ( -5.516 2.913 -6.635) 9.107 6.565 ( -1.586 2.680 2.537) 4.017 6.818 ( -7.371 3.680 -3.118) 8.809 7.336 ( 1.639 -6.822 1.304) 7.136 7.434 ( 0.495 -2.455 -1.750) 3.055 7.572 ( 3.247 -6.325 8.438) 11.034 7.972 ( -1.653 -4.559 -4.789) 6.816 8.361 ( 2.770 -10.751 10.379) 15.198 8.622 ( 5.750 -3.834 3.086) 7.569 8.765 ( 13.199 0.088 -2.750) 13.482 9.128 ( -9.332 -0.466 -4.193) 10.241 9.368 ( 6.921 -1.970 0.965) 7.261 9.438 ( 0.662 0.290 0.197) 0.749 9.881 ( 1.377 -10.550 -0.808) 10.671 9.950 ( -1.555 -5.778 -0.665) 6.021 10.221 ( -0.550 -1.952 -0.321) 2.053 10.356 ( -10.399 0.197 -0.185) 10.402 10.589 ( -1.204 2.916 1.401) 3.452 10.734 ( 3.010 1.965 -4.081) 5.438 11.573 ( -1.975 0.468 0.106) 2.032 11.677 ( 0.390 2.257 -4.530) 5.076 11.885 ( 0.280 -0.641 3.967) 4.028 12.004 ( -3.090 0.591 0.793) 3.245 13.232 ( -2.935 3.038 3.505) 5.489 13.359 ( 5.196 2.331 -4.689) 7.376 13.958 ( -5.825 -1.212 6.425) 8.757 14.170 ( 3.458 -2.226 -5.240) 6.661 15.955 ( 3.862 -1.694 0.730) 4.280 15.982 ( -0.994 -0.892 0.321) 1.374 16.189 ( -2.022 -0.051 1.715) 2.652 16.257 ( 0.002 0.927 -1.526) 1.786 16.638 ( 1.666 -1.065 0.363) 2.010 16.681 ( 0.714 0.620 0.649) 1.147 16.733 ( -1.410 -0.607 0.463) 1.604 16.839 ( -0.919 3.703 -3.690) 5.308 17.303 ( -1.862 -5.716 4.753) 7.664 17.374 ( -1.271 0.665 2.256) 2.674 17.528 ( 1.299 2.230 -2.884) 3.870 17.564 ( -1.758 5.074 -3.563) 6.445 27.559 ( -0.092 1.579 3.156) 3.530 27.706 ( 0.616 0.696 2.164) 2.356 27.776 ( -0.981 -0.046 -3.252) 3.397 27.888 ( 0.341 -0.224 -2.845) 2.874 29.024 ( 1.480 -8.259 5.829) 10.217 29.140 ( 4.189 -5.185 4.570) 8.082 29.186 ( -3.294 -5.565 -0.531) 6.489 29.358 ( 2.671 1.925 6.319) 7.125 29.500 ( -3.521 3.155 -1.059) 4.845 29.795 ( -2.290 -1.769 1.905) 3.464 29.990 ( 10.453 0.588 -5.235) 11.705 30.151 ( 5.991 11.152 -6.763) 14.353 30.744 ( 4.720 0.205 5.610) 7.334 30.986 ( -3.011 0.730 -3.169) 4.432 31.537 ( -14.380 2.667 0.307) 14.628 31.748 ( -1.171 -3.926 -4.187) 5.858 ======================= Grid point 176 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 2.634 -0.000 19.088) 19.269 1.216 ( 6.063 -0.000 21.655) 22.488 1.541 ( 1.014 -0.000 -17.573) 17.602 1.627 ( 10.860 -0.000 -11.353) 15.710 1.850 ( -5.143 0.000 -8.359) 9.815 1.879 ( 1.929 -0.000 6.254) 6.545 2.005 ( 3.014 -0.000 12.112) 12.481 2.241 ( -1.861 0.000 4.620) 4.980 2.275 ( 3.213 -0.000 5.853) 6.677 2.294 ( 1.169 -0.000 -11.396) 11.456 2.399 ( 0.447 -0.000 -0.137) 0.468 2.509 ( 1.751 -0.000 -9.784) 9.940 2.833 ( -5.003 0.000 -5.026) 7.091 2.866 ( 6.849 -0.000 12.306) 14.083 3.139 ( -8.710 0.000 4.087) 9.621 3.283 ( -10.231 0.000 6.053) 11.887 3.424 ( -3.709 0.000 9.014) 9.747 3.515 ( -4.431 0.000 5.920) 7.395 3.522 ( -9.069 0.000 -0.566) 9.087 3.581 ( 1.318 -0.000 -7.562) 7.676 3.707 ( -2.378 0.000 11.845) 12.081 3.816 ( 3.833 -0.000 -1.157) 4.004 3.923 ( 3.286 -0.000 -10.755) 11.246 3.949 ( -5.668 0.000 -2.670) 6.265 4.142 ( 10.082 -0.000 -5.298) 11.389 4.170 ( 9.973 -0.000 2.444) 10.269 4.438 ( 2.273 -0.000 7.299) 7.645 4.561 ( -8.554 0.000 -13.147) 15.685 4.732 ( -3.830 0.000 6.916) 7.906 4.793 ( -0.993 0.000 -2.921) 3.086 4.868 ( 1.686 -0.000 0.942) 1.931 4.918 ( -4.616 0.000 -5.347) 7.064 4.971 ( 0.457 -0.000 -3.680) 3.708 5.350 ( 11.936 -0.000 -2.376) 12.170 5.473 ( -6.471 0.000 2.247) 6.850 5.575 ( -10.557 0.000 -1.350) 10.643 5.826 ( -3.984 0.000 -7.519) 8.509 5.985 ( 0.810 -0.000 3.145) 3.247 6.057 ( 5.609 -0.000 -2.068) 5.978 6.217 ( 13.923 -0.000 2.658) 14.174 6.343 ( 8.014 -0.000 -1.269) 8.114 6.353 ( 9.134 -0.000 -1.816) 9.313 6.589 ( -2.831 0.000 -3.988) 4.890 6.669 ( 8.381 -0.000 6.282) 10.474 7.365 ( -4.951 0.000 0.768) 5.010 7.483 ( 0.931 -0.000 -1.535) 1.795 7.754 ( -9.024 0.000 -1.800) 9.202 7.818 ( 1.284 -0.000 8.272) 8.371 8.557 ( -4.819 0.000 4.733) 6.755 8.651 ( -12.219 0.000 -7.861) 14.530 8.990 ( 9.239 -0.000 8.663) 12.665 9.023 ( -11.849 0.000 -12.046) 16.897 9.393 ( 0.187 -0.000 1.193) 1.208 9.415 ( 4.078 -0.000 -5.202) 6.610 9.908 ( -2.942 0.000 3.162) 4.319 9.977 ( -1.666 0.000 -0.092) 1.668 10.162 ( 4.000 -0.000 2.476) 4.704 10.338 ( 3.270 -0.000 1.329) 3.530 10.562 ( -2.582 0.000 3.281) 4.175 10.710 ( 1.096 -0.000 -3.895) 4.046 11.544 ( -0.599 0.000 1.863) 1.957 11.633 ( 2.067 -0.000 -3.027) 3.665 11.988 ( 2.194 -0.000 -1.809) 2.843 12.006 ( 4.276 -0.000 2.706) 5.060 13.173 ( -3.195 0.000 2.724) 4.199 13.406 ( 6.050 -0.000 -5.481) 8.163 13.930 ( -5.483 0.000 7.578) 9.354 14.211 ( 4.467 -0.000 -4.914) 6.640 15.962 ( -1.588 0.000 -0.534) 1.676 16.077 ( 3.833 -0.000 -3.916) 5.479 16.207 ( 1.970 -0.000 1.062) 2.238 16.253 ( 2.061 -0.000 -1.017) 2.298 16.644 ( -1.803 0.000 0.140) 1.808 16.692 ( -1.952 0.000 1.594) 2.520 16.699 ( -1.140 0.000 -2.040) 2.337 16.762 ( 1.662 -0.000 1.759) 2.420 17.334 ( -3.986 0.000 5.598) 6.872 17.386 ( -3.100 0.000 3.098) 4.383 17.437 ( -0.015 0.000 -0.843) 0.844 17.504 ( 0.435 -0.000 -2.818) 2.851 27.614 ( 1.021 -0.000 4.177) 4.300 27.681 ( 0.156 -0.000 -4.685) 4.687 27.768 ( -0.754 0.000 3.970) 4.041 27.838 ( -0.729 0.000 -3.469) 3.545 29.198 ( -0.392 0.000 0.973) 1.049 29.225 ( 0.127 -0.000 -1.348) 1.354 29.333 ( 2.897 -0.000 7.374) 7.922 29.336 ( -1.402 0.000 -1.966) 2.415 29.548 ( 3.159 -0.000 10.160) 10.640 29.674 ( -4.030 0.000 -10.170) 10.940 29.934 ( -2.424 0.000 -4.863) 5.434 29.968 ( -0.903 0.000 -3.454) 3.570 30.671 ( -12.471 0.000 14.308) 18.980 30.900 ( -0.278 0.000 -5.773) 5.780 31.677 ( 0.025 -0.000 -4.144) 4.144 31.806 ( 18.954 -0.000 -2.148) 19.075 ======================= Grid point 177 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 5.292 -5.870 13.609) 15.738 1.472 ( 7.158 -9.950 13.767) 18.432 1.560 ( 5.211 -6.197 -13.998) 16.171 1.709 ( 10.104 -7.281 -11.676) 17.071 1.829 ( -5.203 -6.361 -6.655) 10.575 1.981 ( 0.175 -7.665 6.457) 10.024 2.099 ( 0.703 -2.570 5.726) 6.316 2.185 ( 0.971 3.289 -5.186) 6.217 2.263 ( -2.246 -1.520 6.779) 7.302 2.394 ( -0.243 -4.221 -6.085) 7.409 2.440 ( 1.717 -3.902 7.838) 8.923 2.556 ( 2.376 -8.964 -9.386) 13.195 2.800 ( -3.883 -3.625 -8.042) 9.638 2.976 ( -6.460 3.146 4.050) 8.248 2.994 ( 3.067 -0.925 6.518) 7.263 3.285 ( -8.253 0.957 -0.870) 8.354 3.411 ( -4.746 -1.711 11.329) 12.402 3.506 ( -9.192 -6.304 5.923) 12.622 3.558 ( -5.886 -7.198 3.292) 9.864 3.622 ( 2.742 -5.622 -4.378) 7.635 3.769 ( 2.776 -0.299 7.969) 8.444 3.863 ( -1.358 0.074 -1.667) 2.151 3.901 ( -0.709 -4.548 -3.030) 5.511 3.914 ( 1.645 -2.029 -8.467) 8.861 4.140 ( 11.160 4.311 -6.719) 13.721 4.250 ( -0.287 1.526 0.206) 1.567 4.426 ( -3.485 4.386 -0.716) 5.648 4.483 ( 0.882 -2.973 4.322) 5.319 4.708 ( -2.834 3.415 -3.458) 5.626 4.759 ( -1.730 -1.874 8.254) 8.639 4.870 ( 1.620 -1.692 -1.505) 2.784 4.912 ( 0.671 -0.911 -5.384) 5.502 5.024 ( 0.586 -4.740 -2.007) 5.180 5.317 ( 2.874 6.908 -6.699) 10.042 5.409 ( -4.169 3.985 5.009) 7.639 5.541 ( -6.947 -3.548 -1.065) 7.873 5.731 ( -3.173 3.134 -5.326) 6.947 5.991 ( 0.642 2.705 2.771) 3.925 6.043 ( 4.526 3.606 -1.508) 5.980 6.320 ( 12.635 1.813 1.272) 12.828 6.397 ( 9.111 1.367 0.014) 9.213 6.442 ( 9.378 -0.983 -1.041) 9.487 6.611 ( -0.212 -5.244 -1.959) 5.602 6.821 ( 10.406 -4.478 5.411) 12.555 7.253 ( -6.559 8.159 1.158) 10.532 7.447 ( 0.179 3.126 -1.595) 3.514 7.654 ( -7.713 3.264 -2.531) 8.749 7.805 ( -2.579 5.764 6.905) 9.357 8.460 ( -2.857 6.520 0.434) 7.132 8.557 ( -9.168 -1.281 -2.035) 9.478 8.727 ( -10.968 9.604 -9.793) 17.563 9.128 ( 7.700 -0.933 6.381) 10.044 9.311 ( -2.587 6.073 0.676) 6.636 9.473 ( -1.780 -0.343 -4.919) 5.242 9.826 ( -0.112 9.239 1.106) 9.306 9.932 ( -0.670 4.914 0.761) 5.018 10.167 ( 3.679 1.693 1.389) 4.281 10.407 ( 1.445 -1.850 3.440) 4.164 10.590 ( -1.348 -4.160 1.081) 4.504 10.712 ( 0.997 -1.458 -3.696) 4.096 11.562 ( -0.513 -1.345 2.557) 2.934 11.647 ( 2.085 -0.952 -2.359) 3.289 11.995 ( 2.435 0.119 -2.362) 3.395 12.049 ( 4.165 0.365 1.676) 4.504 13.196 ( -2.716 -4.261 2.170) 5.499 13.433 ( 5.138 -1.099 -5.658) 7.722 13.918 ( -4.664 0.906 7.564) 8.933 14.202 ( 4.291 2.513 -4.684) 6.831 15.938 ( -1.355 0.931 -0.971) 1.909 16.058 ( 3.268 3.133 -2.924) 5.389 16.206 ( 1.516 1.481 1.305) 2.489 16.286 ( 2.741 -1.213 -0.904) 3.131 16.614 ( -2.446 0.647 -0.804) 2.655 16.690 ( -0.148 -0.129 2.419) 2.427 16.724 ( -1.428 -3.801 -2.202) 4.619 16.794 ( 1.289 -1.155 1.904) 2.573 17.323 ( -2.950 0.790 6.029) 6.759 17.350 ( -2.608 2.413 0.945) 3.676 17.467 ( -0.786 -3.637 -0.767) 3.800 17.526 ( 0.209 -3.036 -0.598) 3.101 27.650 ( 0.892 -0.923 2.982) 3.246 27.671 ( 0.602 -1.260 -3.465) 3.736 27.782 ( -0.750 -0.035 3.979) 4.049 27.812 ( -0.900 0.284 -3.278) 3.412 29.035 ( -3.226 10.429 -0.577) 10.931 29.223 ( 3.737 6.449 0.140) 7.455 29.298 ( -0.355 0.401 -3.968) 4.004 29.364 ( 2.273 3.182 4.333) 5.837 29.641 ( 0.565 -2.095 8.117) 8.402 29.683 ( -1.215 -7.788 -7.930) 11.181 29.906 ( -4.167 -1.673 0.842) 4.569 29.993 ( -2.582 -5.684 -6.586) 9.074 30.708 ( -10.687 -6.376 14.154) 18.847 30.879 ( 1.572 -0.779 -6.156) 6.401 31.667 ( 1.972 0.452 0.094) 2.025 31.858 ( 15.475 7.471 -4.369) 17.731 ======================= Grid point 178 (82/140) ======================= q-point: ( 0.33 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 5.845 -7.013 3.879) 9.920 1.611 ( 5.398 -5.018 -12.030) 14.109 1.724 ( 7.078 -6.495 2.838) 10.017 1.848 ( 2.775 -3.733 -0.640) 4.695 1.918 ( 2.381 -8.463 -2.655) 9.183 2.095 ( -4.069 1.008 -3.106) 5.217 2.168 ( 2.660 -0.706 1.403) 3.090 2.172 ( -1.260 -10.240 5.303) 11.600 2.337 ( -2.417 -5.070 5.720) 8.017 2.439 ( -2.927 -5.551 -5.670) 8.458 2.504 ( -1.219 2.155 6.838) 7.272 2.709 ( 1.099 -9.332 -2.586) 9.746 2.792 ( -2.939 -4.094 -3.712) 6.259 2.982 ( 1.169 -7.510 3.564) 8.394 3.098 ( -8.807 -1.833 2.730) 9.401 3.198 ( -0.306 -4.788 -3.234) 5.786 3.488 ( -3.939 -2.408 8.633) 9.789 3.579 ( -7.092 -4.346 2.049) 8.567 3.652 ( -3.499 -3.720 3.049) 5.948 3.729 ( 6.418 -9.382 -4.770) 12.328 3.799 ( 0.164 -1.673 0.354) 1.718 3.911 ( 1.999 -3.521 -2.768) 4.905 3.921 ( 1.409 -7.668 -7.916) 11.111 4.046 ( -1.245 -7.231 -0.713) 7.372 4.094 ( 4.177 -0.115 -7.129) 8.264 4.204 ( 0.141 -0.703 -1.719) 1.863 4.324 ( -0.439 7.011 7.306) 10.135 4.579 ( -3.176 -4.167 2.585) 5.842 4.706 ( 4.254 -3.661 3.068) 6.396 4.846 ( -3.426 -3.782 12.348) 13.361 4.889 ( 2.757 2.126 -1.194) 3.680 4.918 ( 1.752 -3.555 -3.731) 5.443 5.069 ( -0.218 -2.519 -6.292) 6.781 5.209 ( 3.054 3.289 -8.198) 9.346 5.300 ( -7.313 5.323 3.860) 9.834 5.527 ( -4.018 -0.487 -1.315) 4.256 5.642 ( -3.467 2.052 -2.663) 4.829 5.934 ( 2.829 7.217 4.564) 8.995 6.019 ( 3.086 1.438 -3.605) 4.959 6.352 ( 9.444 3.665 -4.268) 10.993 6.467 ( 8.810 -0.100 2.076) 9.052 6.510 ( 6.046 0.598 1.696) 6.307 6.699 ( 1.869 -3.966 0.172) 4.388 6.936 ( 2.028 4.704 0.682) 5.167 7.069 ( -0.017 6.522 3.745) 7.521 7.384 ( -0.186 4.455 0.177) 4.462 7.490 ( -7.790 6.071 -4.967) 11.055 7.660 ( -4.913 11.160 5.161) 13.241 8.365 ( 1.033 3.896 0.714) 4.093 8.451 ( -4.174 4.312 -6.600) 8.921 8.564 ( -6.756 -0.582 -0.259) 6.786 9.149 ( -7.280 7.348 1.350) 10.431 9.198 ( 7.540 6.806 5.340) 11.475 9.349 ( -3.779 6.182 -4.417) 8.485 9.641 ( -0.274 11.752 -0.160) 11.757 9.838 ( -0.357 5.528 0.720) 5.586 10.198 ( 3.858 -0.131 1.056) 4.003 10.430 ( -0.189 1.396 4.785) 4.988 10.648 ( -0.841 -2.946 -3.193) 4.425 10.738 ( 1.262 -2.432 -1.891) 3.329 11.597 ( -1.056 -1.799 2.574) 3.313 11.668 ( 1.743 -0.767 -0.834) 2.079 11.996 ( 1.910 0.336 -3.203) 3.744 12.072 ( 3.201 1.136 0.818) 3.494 13.285 ( -1.937 -7.325 1.169) 7.667 13.473 ( 3.449 -2.906 -5.207) 6.889 13.899 ( -3.444 1.639 6.615) 7.635 14.151 ( 3.621 4.809 -4.217) 7.350 15.908 ( -0.893 0.916 -0.715) 1.466 16.014 ( 2.661 3.365 -1.354) 4.499 16.212 ( 1.448 0.154 1.734) 2.264 16.314 ( 1.905 -0.259 -0.456) 1.976 16.589 ( -2.067 -0.422 -1.393) 2.529 16.704 ( -0.406 -0.464 2.489) 2.564 16.768 ( 0.666 -2.934 -3.037) 4.275 16.833 ( 0.063 -1.844 1.143) 2.171 17.292 ( -2.274 2.077 -0.007) 3.080 17.327 ( -2.253 -0.219 5.740) 6.170 17.522 ( -0.302 -3.673 -0.919) 3.798 17.585 ( 0.144 -3.266 1.655) 3.665 27.670 ( 0.207 -1.521 -2.258) 2.731 27.711 ( 1.334 -1.916 1.921) 3.023 27.783 ( -1.033 0.429 -2.692) 2.915 27.800 ( -0.417 -0.413 3.484) 3.533 28.852 ( -3.492 7.682 -0.910) 8.487 29.118 ( 1.769 6.040 -4.330) 7.639 29.260 ( 2.300 3.207 -4.746) 6.172 29.335 ( 1.570 4.446 4.675) 6.640 29.677 ( -0.117 0.997 2.050) 2.282 29.760 ( 2.006 -2.908 -1.195) 3.729 29.926 ( -7.374 -5.301 2.263) 9.359 30.032 ( -3.720 -5.564 -6.347) 9.224 30.826 ( -9.067 -9.607 10.198) 16.689 30.909 ( 5.314 -2.794 -3.751) 7.080 31.659 ( 3.771 6.635 2.390) 7.997 31.824 ( 9.774 3.963 -3.053) 10.980 ======================= Grid point 179 (83/140) ======================= q-point: ( 0.44 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 5.351 -3.163 -2.478) 6.692 1.683 ( 4.690 -5.016 -8.847) 11.199 1.876 ( 3.249 -5.014 2.003) 6.301 1.901 ( 2.036 -0.813 2.469) 3.302 2.033 ( 0.872 -2.941 -3.085) 4.350 2.040 ( -2.130 -0.637 -0.638) 2.313 2.197 ( 1.972 -0.058 0.285) 1.993 2.338 ( -1.798 -7.612 5.611) 9.626 2.392 ( -5.160 -0.820 0.635) 5.264 2.429 ( -1.889 2.419 3.979) 5.025 2.506 ( -2.188 -4.639 3.337) 6.119 2.825 ( -0.369 -3.488 -3.696) 5.095 2.852 ( 0.372 -4.008 4.040) 5.703 3.017 ( -6.046 -1.928 -0.395) 6.358 3.168 ( 0.133 -8.828 1.466) 8.949 3.341 ( 5.621 -1.913 -0.134) 5.939 3.466 ( -8.115 2.132 1.191) 8.474 3.557 ( -1.105 -1.687 1.009) 2.255 3.661 ( -3.042 -2.285 -1.486) 4.085 3.828 ( 0.727 -1.555 -3.437) 3.842 3.908 ( 4.136 1.180 -5.117) 6.684 3.983 ( -3.520 -1.546 -7.786) 8.683 4.028 ( 5.655 -10.571 -2.947) 12.345 4.065 ( 1.634 -9.241 1.482) 9.501 4.182 ( 2.729 -0.051 -3.813) 4.690 4.274 ( -0.993 -9.177 2.354) 9.526 4.422 ( 1.705 -14.040 6.269) 15.471 4.645 ( -1.073 -4.224 4.375) 6.175 4.790 ( -2.613 -0.428 -1.421) 3.005 4.849 ( 1.231 3.054 6.739) 7.500 4.929 ( -3.502 -3.843 4.515) 6.886 5.014 ( 1.214 -3.948 2.087) 4.628 5.054 ( 1.682 0.090 -1.687) 2.384 5.202 ( 4.623 -4.131 -8.707) 10.688 5.223 ( -4.089 -1.961 1.339) 4.728 5.496 ( -4.152 -0.502 -0.357) 4.197 5.562 ( -3.609 3.212 -3.419) 5.918 5.858 ( 3.008 7.444 6.059) 10.059 6.025 ( 3.780 -1.714 -4.634) 6.221 6.331 ( 5.784 3.014 -4.729) 8.056 6.485 ( 3.024 5.788 1.052) 6.615 6.572 ( 6.668 -1.589 1.937) 7.123 6.728 ( -2.575 3.624 -0.857) 4.528 6.772 ( -0.584 6.683 0.593) 6.735 7.032 ( 6.384 7.724 0.210) 10.023 7.226 ( -3.297 10.482 -2.809) 11.341 7.378 ( -7.749 -0.531 0.486) 7.783 7.447 ( -2.526 11.056 3.147) 11.770 8.334 ( 3.823 0.748 -7.814) 8.731 8.380 ( 0.857 3.838 5.113) 6.451 8.520 ( -5.819 0.126 0.852) 5.883 8.947 ( -7.523 7.898 2.759) 11.251 9.092 ( 2.385 9.064 -0.507) 9.387 9.277 ( -1.019 0.977 -0.645) 1.553 9.481 ( 1.683 7.421 -0.085) 7.610 9.757 ( -0.799 4.088 0.734) 4.230 10.226 ( 3.545 0.948 0.791) 3.753 10.419 ( 0.112 2.644 4.950) 5.613 10.641 ( -1.251 -0.467 -4.969) 5.145 10.781 ( 0.569 -2.158 -0.828) 2.380 11.618 ( -1.593 -0.903 0.653) 1.944 11.700 ( 1.460 -1.023 2.997) 3.487 11.978 ( 1.135 1.119 -4.744) 5.005 12.075 ( 1.821 1.290 0.749) 2.354 13.401 ( -1.240 -7.229 0.266) 7.339 13.535 ( 1.810 -4.358 -3.445) 5.842 13.877 ( -1.936 1.566 4.529) 5.168 14.065 ( 2.610 6.163 -3.408) 7.510 15.890 ( -0.642 0.183 -0.252) 0.714 15.983 ( 2.079 2.119 -0.542) 3.017 16.234 ( 0.900 -0.406 2.017) 2.246 16.319 ( 0.689 0.624 -0.448) 1.032 16.579 ( -1.246 -0.591 -0.863) 1.627 16.721 ( -0.493 -0.418 2.302) 2.391 16.796 ( 1.567 -1.443 -3.548) 4.138 16.865 ( -0.248 -1.959 -0.471) 2.030 17.249 ( -1.834 1.292 0.512) 2.301 17.346 ( -1.863 -0.788 5.194) 5.574 17.568 ( 0.161 -2.444 -0.985) 2.640 17.643 ( 0.157 -2.316 1.916) 3.010 27.687 ( 0.077 -1.405 -1.522) 2.073 27.746 ( 0.192 1.146 1.445) 1.855 27.764 ( -0.393 -2.034 -2.511) 3.256 27.828 ( 0.239 -1.107 3.057) 3.260 28.722 ( -2.545 4.494 -0.854) 5.235 29.028 ( 0.247 2.935 -4.858) 5.682 29.191 ( 2.568 4.197 -4.822) 6.890 29.292 ( 1.303 4.191 3.362) 5.528 29.640 ( -0.261 2.169 -3.049) 3.750 29.799 ( 0.850 1.070 7.104) 7.235 29.984 ( -4.811 -6.904 -0.831) 8.456 30.051 ( -3.505 -3.097 -3.146) 5.637 30.961 ( -6.163 -8.828 5.500) 12.090 31.017 ( 6.514 -5.357 -0.669) 8.460 31.518 ( 4.715 13.400 -1.031) 14.243 31.861 ( 2.822 -1.372 0.706) 3.216 ======================= Grid point 180 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 2.506 5.949 2.456) 6.906 1.767 ( 2.918 -2.105 -5.813) 6.837 1.888 ( -2.185 4.030 2.562) 5.252 1.939 ( 2.118 -0.265 -0.214) 2.145 2.030 ( 0.203 -4.581 -3.827) 5.973 2.070 ( 1.866 2.325 0.010) 2.981 2.237 ( 0.993 -2.920 1.323) 3.356 2.318 ( -7.114 0.549 4.860) 8.633 2.439 ( 0.575 -1.226 2.638) 2.965 2.483 ( -1.421 -7.018 6.196) 9.469 2.577 ( -2.716 -4.615 -2.081) 5.745 2.805 ( -2.783 -0.216 -3.029) 4.119 2.934 ( 3.857 -0.988 1.444) 4.235 3.070 ( 0.709 -4.528 0.217) 4.589 3.273 ( 3.245 -1.780 -0.279) 3.712 3.308 ( -0.574 3.376 -0.193) 3.430 3.341 ( -7.430 4.719 0.593) 8.822 3.595 ( 2.154 1.469 0.668) 2.691 3.678 ( -1.316 -2.158 0.112) 2.530 3.815 ( -2.127 1.334 -0.314) 2.531 3.873 ( 7.916 3.779 -5.835) 10.535 3.983 ( -3.977 -5.588 -3.899) 7.890 4.084 ( 0.449 1.801 -0.303) 1.881 4.202 ( 5.180 -3.529 0.989) 6.345 4.312 ( -2.065 -11.193 -0.028) 11.382 4.415 ( 0.864 -1.251 -3.383) 3.709 4.619 ( 0.292 -2.239 0.586) 2.333 4.700 ( 1.250 -1.527 1.313) 2.371 4.749 ( -6.703 -1.671 3.503) 7.746 4.845 ( 0.986 -1.848 2.297) 3.109 4.991 ( -3.097 -2.385 6.226) 7.351 5.072 ( 1.085 -1.841 0.476) 2.189 5.102 ( 2.729 -2.136 -0.328) 3.481 5.274 ( -1.875 -6.557 -2.604) 7.300 5.331 ( 5.834 -6.691 -2.182) 9.141 5.430 ( -0.272 7.977 -0.089) 7.982 5.475 ( -7.432 -1.922 -0.850) 7.723 5.809 ( 4.192 4.889 3.732) 7.443 6.088 ( 1.350 -4.091 -3.090) 5.301 6.309 ( 2.967 0.362 -4.016) 5.006 6.394 ( 0.537 5.536 -0.047) 5.562 6.560 ( -3.877 6.134 -1.237) 7.362 6.678 ( 2.501 2.810 -0.627) 3.814 6.688 ( 4.537 2.044 0.726) 5.029 6.914 ( -0.515 6.249 -4.489) 7.711 7.067 ( -1.204 4.096 0.595) 4.311 7.329 ( -1.334 1.168 2.850) 3.356 7.358 ( -2.385 0.335 1.874) 3.052 8.243 ( -3.109 9.674 3.430) 10.724 8.386 ( 4.456 -3.993 -3.249) 6.809 8.527 ( -1.080 -3.534 -1.599) 4.026 8.855 ( -4.053 -0.686 2.319) 4.720 9.010 ( 4.471 3.445 -0.143) 5.646 9.248 ( -4.400 -0.654 -1.368) 4.654 9.416 ( 2.937 3.060 -0.212) 4.246 9.700 ( -1.674 2.001 1.163) 2.856 10.234 ( 3.173 1.496 0.593) 3.558 10.392 ( -0.454 3.205 4.728) 5.730 10.617 ( -0.912 -0.660 -3.628) 3.799 10.805 ( -0.138 -1.161 -1.521) 1.918 11.614 ( -1.571 -0.084 0.383) 1.619 11.748 ( 0.933 -0.999 5.041) 5.223 11.931 ( 0.303 1.915 -5.854) 6.167 12.070 ( 0.711 0.999 0.864) 1.500 13.492 ( -0.563 -4.180 0.080) 4.218 13.588 ( 0.362 -1.225 -0.840) 1.528 13.876 ( 0.137 -1.285 0.946) 1.602 13.967 ( 1.107 5.260 -1.999) 5.735 15.887 ( -0.460 -0.354 0.048) 0.582 15.969 ( 1.394 1.020 -0.797) 1.902 16.251 ( -0.493 -0.025 2.197) 2.252 16.305 ( 0.107 1.010 -0.563) 1.162 16.579 ( -0.075 -0.327 0.247) 0.417 16.729 ( -0.626 0.132 2.107) 2.202 16.807 ( 1.454 -0.321 -3.560) 3.859 16.891 ( 0.541 -1.681 -1.863) 2.567 17.223 ( -1.747 0.921 1.963) 2.785 17.370 ( -1.603 -0.930 3.842) 4.266 17.594 ( 0.655 -0.941 -0.975) 1.505 17.679 ( -0.179 -1.234 0.814) 1.489 27.696 ( -0.147 0.125 -0.371) 0.418 27.725 ( -0.523 0.832 0.577) 1.140 27.785 ( -0.108 -1.306 -1.558) 2.036 27.864 ( 0.584 -1.243 1.338) 1.917 28.661 ( -0.616 1.158 0.435) 1.382 28.980 ( -0.584 0.329 -2.954) 3.029 29.123 ( 2.069 3.365 -4.524) 6.006 29.262 ( 1.241 2.150 2.565) 3.570 29.587 ( -1.506 1.202 -3.827) 4.285 29.816 ( 0.459 3.022 12.569) 12.936 30.018 ( -5.214 -5.420 -13.504) 15.457 30.099 ( 2.098 -2.963 7.882) 8.677 31.054 ( -5.463 -5.040 2.190) 7.749 31.168 ( 7.188 -6.468 -1.024) 9.724 31.312 ( 2.533 13.560 -0.999) 13.831 31.890 ( -1.299 -0.767 0.109) 1.512 ======================= Grid point 181 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -0.620 11.468 7.081) 13.493 1.622 ( -2.068 13.360 3.067) 13.862 1.899 ( -1.317 4.065 0.233) 4.280 1.910 ( 0.556 -1.180 0.518) 1.403 2.026 ( -0.617 1.247 0.761) 1.586 2.135 ( 3.161 -6.331 -5.095) 8.719 2.205 ( -1.940 3.723 0.552) 4.234 2.374 ( -0.524 -2.235 4.994) 5.496 2.466 ( 0.564 -0.725 0.197) 0.939 2.588 ( -1.848 -0.792 -3.633) 4.152 2.628 ( -2.208 -8.353 3.578) 9.351 2.780 ( -0.726 -0.156 -2.293) 2.411 2.949 ( 6.589 3.150 -3.203) 7.974 3.131 ( 1.156 -1.979 -0.823) 2.435 3.184 ( -7.080 3.315 -3.532) 8.579 3.280 ( -4.842 0.027 4.594) 6.675 3.324 ( 2.283 0.754 4.697) 5.277 3.579 ( 3.354 3.235 4.808) 6.695 3.691 ( -0.037 2.143 3.136) 3.798 3.772 ( -0.021 3.519 4.546) 5.748 3.855 ( 6.628 2.815 -7.333) 10.278 4.024 ( 1.072 5.765 1.111) 5.968 4.042 ( 0.894 -3.359 -1.143) 3.659 4.227 ( 0.318 12.509 -3.896) 13.105 4.285 ( 1.820 -1.731 -5.264) 5.832 4.432 ( -4.725 -3.065 1.335) 5.788 4.603 ( -1.877 1.358 -2.566) 3.457 4.684 ( -8.716 4.824 9.421) 13.711 4.768 ( 3.029 -3.010 -5.460) 6.932 4.892 ( -1.010 1.330 0.353) 1.707 4.977 ( 2.508 7.206 6.303) 9.897 5.057 ( 2.781 5.678 1.628) 6.529 5.118 ( -0.344 -0.732 -7.321) 7.365 5.254 ( 1.074 5.079 -3.568) 6.299 5.401 ( -6.616 -3.483 -2.680) 7.943 5.430 ( 1.763 -3.760 7.199) 8.311 5.533 ( 2.244 -8.981 0.055) 9.258 5.783 ( 4.604 4.421 1.631) 6.588 6.079 ( -0.607 1.795 -4.857) 5.213 6.291 ( 1.971 3.566 -6.302) 7.504 6.373 ( -0.028 0.819 1.373) 1.599 6.458 ( -4.769 -0.989 -0.532) 4.900 6.641 ( 0.376 -1.881 0.815) 2.084 6.737 ( -1.608 -3.702 -1.548) 4.323 6.895 ( 4.062 -5.943 -3.254) 7.900 7.073 ( -0.504 -3.842 2.530) 4.628 7.292 ( -8.761 -0.461 3.768) 9.548 7.453 ( 9.512 -6.440 0.355) 11.493 8.113 ( -3.432 4.580 6.900) 8.965 8.498 ( 3.097 -5.723 -7.173) 9.685 8.583 ( -0.222 -6.630 -2.318) 7.027 8.909 ( 0.779 -5.799 2.455) 6.346 9.040 ( 4.339 -2.712 -1.446) 5.317 9.220 ( -5.361 -1.830 -1.592) 5.884 9.424 ( 3.042 -1.607 0.177) 3.445 9.680 ( -3.309 -1.213 1.731) 3.926 10.237 ( 3.315 1.543 0.517) 3.693 10.355 ( -3.312 2.132 4.815) 6.221 10.617 ( 0.306 -0.993 -1.666) 1.964 10.806 ( 0.011 -0.374 -2.729) 2.755 11.604 ( -1.269 0.345 1.116) 1.725 11.788 ( 0.303 -0.105 3.684) 3.698 11.872 ( -0.118 1.751 -4.014) 4.381 12.060 ( 0.018 0.966 0.422) 1.054 13.520 ( 0.742 0.953 -0.340) 1.255 13.555 ( -0.382 4.784 0.747) 4.857 13.899 ( -0.312 1.358 0.503) 1.482 13.943 ( 1.048 -4.971 -2.300) 5.576 15.893 ( -0.224 -0.551 0.129) 0.609 15.959 ( 0.586 0.407 -1.534) 1.692 16.246 ( -2.033 0.890 2.433) 3.293 16.287 ( 0.176 0.767 -0.643) 1.016 16.593 ( 1.200 -0.374 1.055) 1.641 16.730 ( -0.130 0.571 2.235) 2.311 16.792 ( 0.762 1.124 -3.323) 3.590 16.909 ( 0.907 -1.097 -2.885) 3.217 17.211 ( -1.798 0.493 3.927) 4.347 17.386 ( -1.557 -0.696 2.293) 2.858 17.601 ( 1.096 0.370 -1.060) 1.569 17.686 ( -0.801 -0.063 -0.935) 1.233 27.674 ( -0.460 2.119 1.206) 2.481 27.723 ( -0.064 0.031 1.282) 1.284 27.789 ( -0.444 -0.547 -2.265) 2.372 27.884 ( 0.399 -0.575 -0.935) 1.168 28.680 ( 1.667 -2.105 2.416) 3.612 28.982 ( -0.086 -1.627 0.515) 1.709 29.073 ( 0.603 1.235 -4.577) 4.778 29.272 ( 1.494 -0.579 2.382) 2.871 29.542 ( -3.731 0.169 -1.649) 4.082 29.834 ( 0.989 3.278 14.079) 14.489 29.988 ( -3.447 -3.242 -12.420) 13.291 30.224 ( 6.980 -3.591 4.853) 9.229 31.008 ( -3.113 7.663 -2.899) 8.765 31.149 ( -2.977 3.322 0.142) 4.463 31.336 ( 7.346 -6.143 0.499) 9.589 31.856 ( -5.056 1.485 -2.254) 5.732 ======================= Grid point 182 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.948 14.504 13.079) 19.553 1.418 ( -3.015 12.902 11.747) 17.707 1.781 ( -1.034 5.768 -2.700) 6.452 1.912 ( -0.061 2.408 -2.789) 3.686 2.041 ( 1.256 -0.524 3.719) 3.960 2.129 ( 0.975 3.808 -1.148) 4.095 2.191 ( -0.121 -1.541 -4.487) 4.746 2.366 ( -3.095 2.475 -1.492) 4.234 2.458 ( 0.126 3.401 0.967) 3.538 2.525 ( -2.701 6.335 1.962) 7.160 2.722 ( 0.378 -1.567 -1.796) 2.414 2.755 ( 1.288 1.211 -3.858) 4.244 2.942 ( 4.075 2.340 -2.482) 5.314 3.094 ( -3.642 -0.794 -3.795) 5.319 3.137 ( 0.085 4.596 4.036) 6.117 3.270 ( -3.938 6.739 3.059) 8.383 3.316 ( -1.919 -2.821 11.015) 11.532 3.567 ( -2.123 8.039 7.680) 11.319 3.630 ( 3.670 3.131 4.837) 6.832 3.752 ( 2.876 2.561 5.005) 6.315 3.805 ( 4.081 2.776 -3.125) 5.841 3.924 ( 2.140 8.888 1.631) 9.287 4.038 ( 2.862 6.298 -4.245) 8.116 4.088 ( 6.505 2.022 -3.409) 7.618 4.283 ( 1.644 3.172 -4.737) 5.934 4.394 ( -4.163 0.497 -1.935) 4.618 4.475 ( -3.906 9.691 -3.082) 10.893 4.565 ( -10.438 3.690 5.561) 12.389 4.749 ( -4.117 2.157 0.512) 4.676 4.827 ( 1.026 1.321 -1.789) 2.450 4.909 ( 2.899 7.169 0.621) 7.758 5.025 ( 6.364 2.332 2.416) 7.196 5.077 ( 1.398 0.849 -4.787) 5.059 5.184 ( 0.952 2.593 -5.484) 6.140 5.397 ( -6.779 -5.025 -1.340) 8.544 5.546 ( 0.693 -4.576 3.193) 5.623 5.701 ( 3.284 -6.406 1.005) 7.269 5.769 ( 4.210 0.846 2.059) 4.762 6.041 ( 0.817 -0.745 -6.465) 6.559 6.193 ( -0.055 5.579 -4.186) 6.976 6.343 ( -1.838 0.250 -1.501) 2.386 6.420 ( -4.573 0.451 -2.731) 5.346 6.714 ( 0.823 -1.237 2.826) 3.193 6.816 ( -1.252 -6.002 -1.046) 6.220 7.054 ( 3.072 -8.527 -0.919) 9.110 7.168 ( -4.965 -8.175 1.143) 9.633 7.320 ( -1.805 -7.670 6.303) 10.090 7.669 ( 6.995 -10.693 -3.212) 13.176 8.109 ( -2.545 -2.218 8.674) 9.307 8.520 ( 0.782 -2.623 -9.094) 9.497 8.705 ( 3.369 -5.025 -0.845) 6.108 9.075 ( -3.483 -6.657 -5.932) 9.573 9.108 ( 4.132 -7.722 3.428) 9.405 9.257 ( -0.359 -7.427 0.431) 7.448 9.529 ( 4.438 -7.007 1.120) 8.369 9.706 ( -5.675 -5.295 1.307) 7.872 10.242 ( 3.940 1.801 0.980) 4.442 10.318 ( -6.901 0.123 4.472) 8.225 10.631 ( 1.061 -0.271 -0.223) 1.118 10.793 ( 1.014 0.482 -3.962) 4.118 11.594 ( -0.899 0.653 1.602) 1.949 11.765 ( -0.152 2.299 -3.962) 4.583 11.864 ( 0.258 -0.209 4.043) 4.057 12.041 ( -0.337 1.217 -0.266) 1.291 13.442 ( -0.584 7.684 1.050) 7.778 13.486 ( 2.411 4.197 -1.732) 5.141 13.899 ( -3.171 -1.534 3.394) 4.892 14.035 ( 2.546 -5.535 -3.816) 7.189 15.905 ( 0.079 -1.026 0.200) 1.048 15.953 ( 0.213 -0.310 -1.632) 1.675 16.217 ( -2.510 1.483 2.437) 3.800 16.276 ( 0.391 0.398 -0.996) 1.141 16.618 ( 1.827 -0.411 1.287) 2.272 16.731 ( 1.164 1.148 2.241) 2.774 16.754 ( -0.709 1.648 -2.366) 2.969 16.906 ( 0.354 0.337 -3.908) 3.939 17.219 ( -1.796 -0.413 5.926) 6.206 17.389 ( -1.687 -0.171 1.333) 2.157 17.589 ( 1.368 1.487 -1.376) 2.445 17.659 ( -1.615 1.242 -2.590) 3.296 27.639 ( -0.233 2.661 2.351) 3.559 27.729 ( 0.095 0.341 2.255) 2.282 27.776 ( -0.585 0.011 -3.070) 3.125 27.882 ( 0.119 -0.118 -2.530) 2.535 28.775 ( 3.179 -4.933 4.017) 7.112 29.034 ( 2.630 -1.761 1.947) 3.716 29.053 ( -2.626 -2.894 -2.662) 4.728 29.321 ( 1.382 -2.520 1.287) 3.149 29.509 ( -4.706 -0.287 2.387) 5.285 29.851 ( -1.147 3.031 12.189) 12.613 29.963 ( 0.292 -2.598 -10.719) 11.033 30.357 ( 11.841 -0.706 -1.159) 11.919 30.827 ( -2.464 7.699 1.822) 8.286 31.082 ( -2.683 3.104 -0.905) 4.201 31.486 ( 3.756 -5.967 -0.685) 7.083 31.737 ( -8.281 3.928 -4.825) 10.358 ======================= Grid point 183 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -2.552 12.393 18.462) 22.382 1.275 ( 0.558 11.820 18.807) 22.220 1.681 ( 4.102 5.146 -6.306) 9.114 1.835 ( -0.260 3.376 -6.240) 7.099 2.012 ( 1.963 7.638 5.376) 9.544 2.114 ( 2.915 4.212 -4.587) 6.876 2.143 ( -3.171 0.564 -2.785) 4.258 2.257 ( -4.084 6.506 -5.313) 9.339 2.343 ( -3.766 10.127 5.663) 12.199 2.387 ( -1.024 6.590 7.910) 10.346 2.623 ( 3.877 7.866 -9.720) 13.091 2.756 ( 2.154 6.299 9.014) 11.206 2.801 ( 0.853 11.237 -6.109) 12.819 3.053 ( -7.039 -0.265 5.658) 9.035 3.104 ( -2.723 5.864 -4.082) 7.647 3.170 ( 6.874 -3.037 1.265) 7.621 3.414 ( -8.113 1.168 7.584) 11.167 3.483 ( -0.218 -3.279 11.020) 11.500 3.670 ( -0.170 2.809 11.924) 12.251 3.759 ( -0.633 5.153 2.956) 5.974 3.811 ( 3.129 1.384 -1.492) 3.733 3.830 ( 7.116 1.390 -0.712) 7.285 3.965 ( 3.185 3.765 -2.471) 5.515 4.009 ( 1.537 7.444 -5.776) 9.547 4.172 ( 4.505 7.128 -2.730) 8.863 4.264 ( -8.863 8.575 -0.887) 12.364 4.353 ( -2.490 -0.420 -4.469) 5.133 4.539 ( -0.706 -4.996 0.906) 5.126 4.735 ( -1.894 -2.076 -1.441) 3.158 4.792 ( 0.540 1.226 -1.078) 1.719 4.836 ( 1.672 3.511 -1.337) 4.112 5.071 ( 3.110 1.241 -3.473) 4.824 5.073 ( 2.427 -1.444 -0.007) 2.825 5.128 ( 3.080 1.814 -2.106) 4.149 5.437 ( -7.214 -6.002 0.431) 9.394 5.618 ( -0.312 -3.911 -2.032) 4.418 5.769 ( 0.920 -1.520 4.366) 4.713 5.883 ( 3.928 -6.115 1.741) 7.473 6.030 ( 1.373 0.198 -5.182) 5.364 6.088 ( -0.041 4.266 -3.895) 5.777 6.313 ( -0.918 0.314 -2.772) 2.937 6.381 ( 0.104 -0.392 -5.941) 5.955 6.692 ( 2.837 6.352 3.772) 7.914 6.815 ( -5.196 2.771 -1.354) 6.043 7.199 ( -2.721 -9.802 1.811) 10.332 7.306 ( 0.399 -9.816 -2.931) 10.252 7.524 ( 2.879 -9.250 8.866) 13.132 7.821 ( -2.869 -7.495 -7.073) 10.697 8.237 ( -1.451 -9.426 11.169) 14.687 8.579 ( 5.793 -6.121 -3.987) 9.323 8.799 ( 6.886 -2.609 -0.206) 7.367 9.009 ( -10.464 -1.111 -7.092) 12.690 9.354 ( 5.075 -7.887 1.532) 9.503 9.395 ( 1.502 -7.849 -0.167) 7.993 9.719 ( 4.382 -10.090 1.383) 11.087 9.776 ( -7.406 -8.989 -0.256) 11.650 10.229 ( -4.004 2.337 3.764) 5.972 10.300 ( -0.646 -0.744 0.946) 1.366 10.629 ( 0.581 1.755 0.773) 2.004 10.765 ( 1.784 1.648 -4.682) 5.275 11.580 ( -0.968 1.154 1.420) 2.070 11.701 ( 0.380 2.619 -4.552) 5.265 11.899 ( 1.275 -0.619 4.682) 4.892 12.014 ( -0.001 1.382 -0.739) 1.567 13.314 ( -1.584 7.020 1.981) 7.464 13.429 ( 4.174 3.877 -3.712) 6.799 13.919 ( -4.824 -1.822 5.486) 7.529 14.120 ( 3.416 -4.234 -4.585) 7.114 15.936 ( 0.325 -2.357 0.386) 2.410 15.962 ( 1.162 -1.314 -1.077) 2.058 16.190 ( -2.083 0.801 2.316) 3.216 16.267 ( 1.191 0.714 -1.692) 2.189 16.644 ( 1.526 -0.337 1.229) 1.988 16.705 ( -0.844 1.858 -1.540) 2.557 16.736 ( 0.600 0.737 2.302) 2.491 16.862 ( -0.652 2.325 -4.378) 5.000 17.256 ( -1.985 -2.039 7.079) 7.630 17.380 ( -1.856 0.211 1.184) 2.212 17.562 ( 1.465 2.113 -1.752) 3.112 17.593 ( -2.425 3.032 -3.054) 4.940 27.609 ( 0.230 2.410 3.161) 3.982 27.732 ( 0.367 0.965 1.353) 1.702 27.754 ( -0.834 -0.083 -2.129) 2.288 27.870 ( -0.133 -0.216 -3.123) 3.134 28.924 ( 2.666 -7.406 4.646) 9.140 29.065 ( -1.198 -4.515 -3.979) 6.136 29.135 ( 1.801 -3.830 6.175) 7.486 29.375 ( -0.032 -3.172 -2.171) 3.844 29.503 ( -2.250 0.740 7.499) 7.864 29.824 ( -2.640 3.066 4.800) 6.277 29.974 ( 1.142 -1.922 -5.549) 5.983 30.325 ( 4.527 9.215 -10.838) 14.929 30.827 ( 6.526 -0.516 7.849) 10.221 30.990 ( -3.255 4.318 -1.526) 5.618 31.509 ( -6.521 1.583 0.407) 6.723 31.654 ( 1.428 -3.164 -4.864) 5.976 ======================= Grid point 186 (88/140) ======================= q-point: ( 0.22 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 3.821 -0.000 -2.752) 4.709 1.508 ( 11.143 -0.000 -0.996) 11.187 1.521 ( 6.923 -0.000 16.654) 18.035 1.607 ( 4.969 -0.000 -22.973) 23.504 1.743 ( 1.890 -0.000 -3.327) 3.827 1.946 ( 0.043 -0.000 4.332) 4.332 2.120 ( 1.601 -0.000 5.326) 5.562 2.187 ( -2.968 0.000 -5.850) 6.560 2.293 ( -0.886 0.000 6.691) 6.750 2.326 ( 0.783 -0.000 -1.601) 1.783 2.436 ( 1.259 -0.000 -7.845) 7.945 2.470 ( 2.934 -0.000 7.255) 7.826 2.726 ( 2.965 -0.000 -10.050) 10.478 2.914 ( -5.306 0.000 0.969) 5.394 3.138 ( 0.135 -0.000 1.942) 1.947 3.155 ( -10.660 0.000 4.343) 11.511 3.296 ( -15.307 0.000 2.894) 15.578 3.464 ( -2.015 0.000 -2.597) 3.287 3.493 ( -4.136 0.000 12.313) 12.989 3.555 ( 3.222 -0.000 -5.947) 6.764 3.830 ( 3.140 -0.000 0.891) 3.264 3.839 ( -4.547 0.000 -3.253) 5.591 3.856 ( 1.534 -0.000 2.495) 2.929 3.888 ( -0.158 0.000 -0.000) 0.158 4.235 ( 2.559 -0.000 -7.238) 7.677 4.273 ( -0.190 0.000 4.127) 4.131 4.331 ( -0.680 0.000 -6.512) 6.547 4.542 ( -0.952 0.000 7.119) 7.182 4.703 ( -0.560 0.000 -8.116) 8.136 4.784 ( 0.134 -0.000 10.030) 10.031 4.843 ( 2.513 -0.000 -5.719) 6.247 4.891 ( -1.380 0.000 5.464) 5.636 5.004 ( 4.460 -0.000 -2.509) 5.118 5.385 ( -4.595 0.000 -7.675) 8.945 5.418 ( -3.045 0.000 2.243) 3.783 5.438 ( -0.720 0.000 -2.999) 3.084 5.730 ( -0.302 0.000 -1.705) 1.732 5.999 ( -2.044 0.000 2.189) 2.995 6.132 ( 4.879 -0.000 0.008) 4.879 6.418 ( 7.135 -0.000 1.007) 7.206 6.513 ( 12.899 -0.000 -0.021) 12.899 6.518 ( 6.247 -0.000 -0.722) 6.288 6.563 ( 7.527 -0.000 1.464) 7.668 6.896 ( 11.669 -0.000 4.706) 12.582 7.280 ( -6.921 0.000 1.520) 7.086 7.432 ( -4.457 0.000 -3.787) 5.848 7.631 ( -4.722 0.000 -0.620) 4.763 7.841 ( -6.743 0.000 3.917) 7.798 8.408 ( -11.364 0.000 -3.454) 11.877 8.539 ( 1.045 -0.000 1.062) 1.490 8.638 ( -17.918 0.000 -8.607) 19.878 9.195 ( 5.503 -0.000 7.092) 8.977 9.416 ( 2.988 -0.000 -5.415) 6.184 9.429 ( 3.324 -0.000 1.454) 3.628 9.934 ( -3.466 0.000 -0.266) 3.476 9.937 ( 0.970 -0.000 2.509) 2.690 10.272 ( 7.271 -0.000 -0.212) 7.275 10.366 ( -2.368 0.000 2.552) 3.482 10.542 ( -3.370 0.000 2.378) 4.125 10.686 ( 0.798 -0.000 -3.760) 3.844 11.562 ( -0.285 0.000 2.961) 2.974 11.651 ( 2.738 -0.000 -1.296) 3.030 12.001 ( 2.755 -0.000 -3.711) 4.622 12.093 ( 3.368 -0.000 1.638) 3.746 13.148 ( -2.954 0.000 2.366) 3.785 13.438 ( 4.764 -0.000 -6.161) 7.788 13.929 ( -4.247 0.000 8.257) 9.286 14.235 ( 4.382 -0.000 -4.791) 6.492 15.930 ( -1.019 0.000 -1.043) 1.458 16.095 ( 3.465 -0.000 -3.507) 4.930 16.253 ( 2.721 -0.000 0.365) 2.745 16.284 ( 2.637 -0.000 -0.754) 2.743 16.618 ( -1.373 0.000 0.240) 1.394 16.652 ( -2.633 0.000 -1.125) 2.863 16.697 ( -0.665 0.000 2.749) 2.828 16.803 ( 1.073 -0.000 1.297) 1.684 17.337 ( -2.602 0.000 5.287) 5.893 17.370 ( -2.753 0.000 3.380) 4.360 17.417 ( -1.135 0.000 -1.243) 1.683 17.488 ( 0.641 -0.000 -1.661) 1.780 27.642 ( 0.484 -0.000 -4.363) 4.390 27.669 ( 0.857 -0.000 3.315) 3.424 27.794 ( -0.695 0.000 -2.600) 2.692 27.794 ( -0.915 0.000 3.934) 4.039 29.187 ( -1.156 0.000 0.185) 1.170 29.211 ( 0.556 -0.000 -2.169) 2.239 29.317 ( 0.058 -0.000 -0.374) 0.378 29.447 ( 2.674 -0.000 3.954) 4.773 29.479 ( -3.740 0.000 -15.516) 15.961 29.645 ( -1.472 0.000 4.137) 4.391 29.888 ( -2.174 0.000 2.121) 3.037 29.908 ( -1.505 0.000 -2.736) 3.123 30.668 ( -8.263 0.000 18.461) 20.225 30.865 ( 4.514 -0.000 -5.628) 7.215 31.681 ( 0.797 -0.000 2.388) 2.517 32.013 ( 13.407 -0.000 -7.586) 15.405 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 4.615 -7.587 -12.783) 15.565 1.621 ( 3.654 -9.729 -17.977) 20.765 1.630 ( 11.096 -1.529 3.804) 11.829 1.756 ( 6.200 -8.639 5.324) 11.892 1.794 ( 3.455 -7.204 1.341) 8.101 2.022 ( -1.413 -6.638 2.946) 7.399 2.096 ( -3.860 2.389 1.202) 4.696 2.190 ( 2.648 -2.226 0.243) 3.468 2.278 ( -3.321 -0.069 4.328) 5.456 2.342 ( -0.672 -1.650 -1.005) 2.046 2.515 ( 3.692 -7.144 -5.102) 9.523 2.564 ( 0.542 -4.288 9.616) 10.543 2.699 ( 1.153 -0.554 -7.323) 7.434 2.968 ( -1.826 -8.717 -0.261) 8.910 3.003 ( -1.725 5.104 4.562) 7.060 3.099 ( -11.715 1.140 -1.851) 11.915 3.356 ( -7.772 -9.981 5.837) 13.931 3.491 ( -3.004 -5.883 -2.148) 6.946 3.510 ( 0.198 -3.807 -0.185) 3.816 3.651 ( 2.554 -6.904 -0.153) 7.363 3.765 ( -3.935 1.283 -2.122) 4.651 3.835 ( 2.616 -0.788 -7.919) 8.377 3.865 ( -2.470 -0.423 1.846) 3.113 3.945 ( 2.332 -4.013 3.654) 5.907 4.123 ( -9.350 3.476 -1.957) 10.165 4.266 ( 5.920 2.382 -2.169) 6.740 4.362 ( 0.557 0.074 -2.235) 2.305 4.570 ( -0.542 -0.703 5.416) 5.488 4.672 ( 2.471 -1.878 -4.462) 5.435 4.848 ( 0.586 -1.278 9.906) 10.005 4.867 ( 2.317 -1.851 -1.090) 3.160 4.921 ( -0.325 -0.601 4.760) 4.808 5.025 ( 1.887 -0.620 -2.493) 3.188 5.263 ( -0.098 4.379 -6.372) 7.732 5.346 ( -3.384 5.551 -5.694) 8.643 5.455 ( -2.515 -3.196 -1.229) 4.248 5.682 ( -0.794 5.076 0.913) 5.218 6.000 ( -1.654 -0.598 0.902) 1.977 6.124 ( 5.484 5.511 1.166) 7.862 6.450 ( 4.670 1.802 -2.588) 5.635 6.528 ( 4.197 -0.082 2.171) 4.725 6.615 ( 11.811 1.901 0.706) 11.984 6.683 ( 8.959 -2.541 2.075) 9.540 7.020 ( 7.013 -0.340 2.202) 7.358 7.163 ( -5.920 5.889 2.282) 8.657 7.369 ( -6.416 0.641 -2.522) 6.923 7.542 ( -4.269 5.885 -3.170) 7.932 7.756 ( -7.910 4.367 2.204) 9.300 8.322 ( -8.211 -1.956 -5.309) 9.971 8.468 ( -7.173 2.724 0.754) 7.710 8.552 ( 1.552 1.295 1.634) 2.600 9.223 ( -1.361 4.405 4.862) 6.700 9.362 ( 5.227 4.498 -1.979) 7.174 9.427 ( 1.749 6.142 -1.606) 6.585 9.813 ( -2.505 9.096 0.193) 9.436 9.924 ( -1.122 4.481 0.926) 4.712 10.246 ( 3.896 2.198 0.832) 4.550 10.445 ( 0.031 -2.962 3.056) 4.256 10.557 ( -2.834 -3.998 -0.456) 4.922 10.695 ( 1.000 -2.152 -3.030) 3.849 11.582 ( -0.649 -0.846 3.085) 3.264 11.673 ( 2.650 -0.509 0.065) 2.700 12.002 ( 2.504 0.285 -4.151) 4.856 12.114 ( 2.048 0.717 0.445) 2.215 13.174 ( -2.478 -4.444 1.987) 5.462 13.444 ( 3.452 -0.651 -6.606) 7.482 13.930 ( -3.487 1.003 8.030) 8.811 14.223 ( 3.952 2.717 -4.664) 6.690 15.914 ( -0.359 0.807 -0.467) 0.999 16.082 ( 3.333 2.796 -2.792) 5.169 16.250 ( 2.388 1.673 0.869) 3.043 16.319 ( 2.131 -0.929 -0.569) 2.394 16.577 ( -1.381 1.346 -0.502) 1.993 16.676 ( -2.312 -2.972 -0.577) 3.810 16.720 ( 0.421 -1.894 1.998) 2.785 16.818 ( 0.093 -0.563 0.740) 0.934 17.311 ( -1.599 2.393 0.063) 2.879 17.348 ( -2.488 1.248 6.291) 6.879 17.449 ( -0.669 -4.055 -0.603) 4.154 17.530 ( 0.163 -3.974 1.163) 4.144 27.635 ( 0.518 -1.113 -3.660) 3.861 27.696 ( 0.031 -1.310 0.946) 1.616 27.778 ( -0.024 0.481 -0.669) 0.824 27.807 ( -0.763 -0.228 3.669) 3.755 28.992 ( -1.950 11.793 0.148) 11.954 29.210 ( 0.516 6.185 -6.982) 9.342 29.291 ( 1.631 1.472 -2.977) 3.700 29.397 ( 0.094 0.606 -2.665) 2.735 29.585 ( -2.467 -12.473 -6.964) 14.497 29.666 ( -2.778 -2.841 -0.082) 3.974 29.849 ( -0.754 1.460 0.934) 1.890 29.947 ( -2.006 -3.388 3.310) 5.144 30.727 ( -6.903 -3.244 18.188) 19.722 30.907 ( 8.008 -1.601 -3.037) 8.713 31.708 ( -1.212 -0.716 5.249) 5.434 32.006 ( 11.205 7.194 -8.632) 15.869 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.44 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 6.704 -9.497 -14.092) 18.268 1.702 ( 5.636 -2.345 -3.392) 6.983 1.804 ( 5.232 -8.999 0.115) 10.410 1.875 ( 2.861 -4.780 -5.235) 7.644 1.977 ( 1.978 -3.000 -0.429) 3.619 2.034 ( -0.128 0.512 6.653) 6.674 2.176 ( -3.223 -8.708 3.142) 9.803 2.236 ( 3.948 -0.292 0.414) 3.980 2.325 ( -4.585 -5.205 -4.315) 8.170 2.358 ( -3.878 -2.993 6.644) 8.255 2.567 ( 0.485 2.826 5.058) 5.814 2.700 ( -1.215 -7.420 -0.956) 7.580 2.762 ( 3.708 -7.605 -0.850) 8.503 2.926 ( -11.861 -0.153 -0.601) 11.877 3.025 ( -1.528 -7.404 3.889) 8.502 3.233 ( 4.742 -13.643 0.673) 14.459 3.422 ( -5.478 -1.004 -0.228) 5.574 3.537 ( -3.663 -4.180 4.133) 6.926 3.593 ( -2.438 -1.829 -3.649) 4.754 3.756 ( 0.240 -8.085 -6.794) 10.563 3.790 ( 4.359 -4.621 -5.716) 8.546 3.857 ( 0.062 -7.328 -4.486) 8.592 3.901 ( -2.124 -6.695 -0.296) 7.030 3.988 ( -3.802 2.254 0.025) 4.420 4.108 ( 2.577 -8.357 -1.181) 8.825 4.245 ( 5.101 3.036 -3.287) 6.785 4.364 ( -2.303 -2.964 5.438) 6.608 4.601 ( 3.485 -1.028 3.041) 4.739 4.736 ( -2.809 -3.275 -1.248) 4.492 4.887 ( -4.162 -0.857 8.839) 9.808 4.908 ( 1.831 0.236 -2.637) 3.219 4.976 ( 1.290 -2.989 5.366) 6.276 5.050 ( 0.475 -1.670 2.511) 3.053 5.181 ( 0.987 4.449 -8.269) 9.442 5.208 ( 0.506 1.040 -3.541) 3.725 5.464 ( -1.247 -0.311 -1.359) 1.870 5.582 ( -2.553 4.504 -0.819) 5.242 5.999 ( -0.197 0.558 2.219) 2.297 6.064 ( 4.284 6.739 1.453) 8.116 6.417 ( 4.307 3.684 -4.921) 7.506 6.592 ( 4.267 0.442 1.461) 4.532 6.649 ( 10.733 3.937 1.485) 11.528 6.771 ( 4.416 0.733 1.017) 4.590 6.886 ( -4.311 9.730 0.083) 10.643 7.179 ( 3.909 0.905 2.944) 4.977 7.271 ( -11.253 0.632 -2.143) 11.472 7.348 ( -4.690 9.641 -5.045) 11.849 7.604 ( -4.964 8.437 1.832) 9.959 8.307 ( 1.578 -2.591 -6.205) 6.908 8.441 ( -0.092 0.097 6.099) 6.101 8.532 ( -1.765 3.067 4.178) 5.475 9.081 ( -4.966 11.366 4.033) 13.043 9.266 ( 1.382 9.973 -3.552) 10.677 9.310 ( 0.631 5.293 -1.815) 5.631 9.639 ( 0.318 9.672 0.686) 9.702 9.827 ( -1.556 5.318 0.173) 5.543 10.272 ( 3.392 0.152 1.444) 3.689 10.479 ( 1.273 0.737 4.077) 4.334 10.585 ( -2.261 -2.281 -3.267) 4.581 10.735 ( 0.429 -2.918 -1.774) 3.442 11.601 ( -1.100 -0.627 2.221) 2.556 11.713 ( 2.265 -1.046 2.837) 3.778 11.986 ( 1.713 1.173 -4.607) 5.053 12.109 ( 1.123 1.176 -0.692) 1.767 13.267 ( -1.670 -7.409 1.154) 7.683 13.463 ( 2.242 -3.015 -6.007) 7.086 13.918 ( -2.620 1.914 6.856) 7.585 14.165 ( 3.181 5.082 -4.217) 7.330 15.896 ( -0.027 0.969 0.175) 0.985 16.040 ( 2.294 3.296 -1.754) 4.382 16.255 ( 1.799 0.560 1.297) 2.288 16.331 ( 0.802 0.433 -0.487) 1.033 16.560 ( -0.190 -0.339 -0.617) 0.729 16.697 ( -2.273 -2.113 0.415) 3.131 16.769 ( 1.866 -2.001 -1.118) 2.956 16.830 ( -1.034 -1.241 0.336) 1.649 17.266 ( -0.874 1.761 0.266) 1.984 17.349 ( -2.217 0.023 5.335) 5.777 17.512 ( -0.082 -3.904 -0.186) 3.909 17.606 ( -0.182 -3.533 2.440) 4.297 27.650 ( 0.393 -1.958 -2.604) 3.281 27.714 ( -1.202 -1.696 -2.412) 3.184 27.775 ( 0.754 0.732 2.104) 2.352 27.827 ( -0.287 -0.726 3.059) 3.157 28.812 ( -1.344 8.242 0.641) 8.375 29.078 ( 1.066 5.726 -6.587) 8.793 29.234 ( 0.432 2.665 -6.675) 7.201 29.348 ( -1.162 2.522 -4.090) 4.944 29.660 ( -1.712 1.119 -1.053) 2.301 29.735 ( -0.860 -10.256 -7.681) 12.842 29.865 ( -0.746 -1.510 6.071) 6.300 30.006 ( -1.824 -3.290 5.457) 6.628 30.836 ( -5.351 -5.676 15.450) 17.308 31.006 ( 9.512 -2.956 -1.599) 10.089 31.700 ( -2.735 4.158 4.183) 6.501 31.912 ( 7.455 6.555 -7.491) 12.437 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.56 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 7.415 -9.786 -5.222) 13.342 1.757 ( 5.584 0.903 -0.068) 5.657 1.919 ( 1.229 -1.535 -3.372) 3.903 1.946 ( 2.247 -1.480 0.340) 2.712 1.974 ( -1.738 -1.149 1.217) 2.413 2.095 ( 2.546 -1.562 4.658) 5.533 2.223 ( 2.023 1.103 -3.825) 4.466 2.279 ( -5.700 -0.649 -0.778) 5.789 2.345 ( -3.451 -8.279 4.618) 10.088 2.439 ( -2.102 -3.902 3.785) 5.828 2.530 ( -1.265 2.697 3.475) 4.577 2.704 ( -7.733 -2.424 -5.675) 9.893 2.921 ( 2.124 -4.908 0.921) 5.427 2.966 ( 1.031 -9.171 1.360) 9.328 3.196 ( -0.156 -8.977 3.231) 9.542 3.323 ( -6.665 3.776 -4.199) 8.735 3.407 ( 2.539 1.176 -1.773) 3.312 3.598 ( -1.903 -5.407 -2.685) 6.329 3.606 ( 3.154 -2.726 5.158) 6.632 3.768 ( -2.032 -2.300 -5.246) 6.078 3.833 ( -3.357 -3.495 -3.513) 5.985 3.961 ( 1.308 -1.628 -1.184) 2.401 4.014 ( -0.774 -6.445 -2.081) 6.817 4.093 ( 0.300 -9.819 -1.479) 9.935 4.198 ( 7.715 -7.845 -7.787) 13.480 4.307 ( -0.407 -6.174 2.629) 6.723 4.516 ( 1.989 -10.351 6.335) 12.298 4.670 ( -6.241 3.259 -4.070) 8.132 4.710 ( 2.624 -5.106 5.762) 8.134 4.870 ( -1.283 1.863 -0.649) 2.353 4.921 ( -6.965 -1.690 7.624) 10.464 5.011 ( 0.266 -2.730 -3.535) 4.474 5.125 ( 0.969 -6.317 0.708) 6.430 5.151 ( 3.146 -0.216 -0.107) 3.155 5.283 ( 4.770 -6.271 -0.031) 7.880 5.417 ( -2.715 3.569 -1.686) 4.791 5.513 ( -0.725 1.612 0.249) 1.785 5.962 ( 0.550 7.435 8.329) 11.178 6.042 ( 3.399 -1.841 -4.318) 5.796 6.358 ( 4.396 4.249 -6.703) 9.072 6.516 ( 0.515 8.835 1.855) 9.043 6.666 ( 0.505 7.643 0.170) 7.661 6.723 ( 5.585 0.943 -0.046) 5.664 6.794 ( 2.029 4.962 -1.205) 5.495 7.047 ( -2.305 10.411 -3.646) 11.269 7.146 ( -3.988 7.289 -1.525) 8.448 7.241 ( -9.350 -3.049 2.690) 10.195 7.457 ( 1.206 6.764 0.709) 6.907 8.349 ( 7.392 -1.000 -5.744) 9.415 8.426 ( -0.684 7.533 3.996) 8.554 8.504 ( -2.065 -0.034 6.667) 6.979 8.876 ( -5.203 7.229 3.699) 9.644 9.127 ( 3.445 7.256 -2.385) 8.379 9.207 ( -4.796 2.677 -2.982) 6.249 9.520 ( 2.575 6.580 0.204) 7.069 9.735 ( -2.393 3.774 -0.396) 4.486 10.292 ( 2.546 1.412 2.065) 3.569 10.478 ( 2.209 3.467 1.788) 4.483 10.580 ( -1.725 -1.220 -1.033) 2.352 10.767 ( -0.234 -1.941 -1.987) 2.788 11.608 ( -0.992 -0.118 2.132) 2.355 11.766 ( 1.621 -1.073 4.584) 4.979 11.943 ( 0.748 2.215 -5.080) 5.592 12.092 ( 0.558 1.022 -1.041) 1.562 13.388 ( -0.834 -7.413 0.542) 7.479 13.521 ( 1.148 -4.927 -4.092) 6.506 13.895 ( -1.561 1.981 4.709) 5.342 14.070 ( 2.272 6.434 -3.375) 7.612 15.886 ( 0.113 0.440 0.533) 0.700 16.000 ( 1.105 2.207 -1.537) 2.907 16.264 ( 0.321 0.490 1.606) 1.710 16.319 ( 0.142 0.941 -0.672) 1.166 16.573 ( 0.749 -0.826 0.354) 1.170 16.712 ( -2.644 -1.676 0.806) 3.232 16.798 ( 2.768 -0.567 -2.893) 4.044 16.851 ( -0.761 -2.102 -0.646) 2.328 17.242 ( -0.472 1.206 1.864) 2.269 17.359 ( -2.287 -0.652 3.664) 4.368 17.569 ( 0.560 -2.557 0.180) 2.624 17.658 ( -0.435 -1.836 1.532) 2.430 27.676 ( 0.212 -1.859 -1.330) 2.296 27.713 ( -1.264 -1.085 -2.424) 2.941 27.780 ( 0.304 0.552 1.996) 2.093 27.854 ( 0.100 -1.042 1.518) 1.844 28.711 ( 0.487 4.211 1.981) 4.679 28.987 ( 0.620 2.770 -4.075) 4.966 29.155 ( -0.303 2.745 -7.143) 7.658 29.281 ( -1.309 0.981 -5.400) 5.643 29.607 ( -1.440 3.122 0.138) 3.441 29.819 ( -1.357 -5.807 -8.016) 9.991 29.914 ( -1.668 -0.217 10.367) 10.502 30.097 ( 2.234 -4.434 5.692) 7.553 30.962 ( -2.718 -5.108 10.032) 11.580 31.127 ( 7.643 -3.840 -1.860) 8.753 31.552 ( 0.436 12.184 0.139) 12.193 31.862 ( -0.620 0.500 -3.866) 3.948 ======================= Grid point 190 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 3.658 8.626 5.592) 10.911 1.788 ( 2.953 2.194 -0.045) 3.679 1.905 ( -0.004 0.055 4.926) 4.926 1.944 ( -2.389 3.138 2.249) 4.539 2.025 ( 3.933 -7.419 -3.235) 8.998 2.069 ( -2.464 4.733 -1.721) 5.606 2.241 ( 2.354 1.100 -0.420) 2.632 2.303 ( -2.261 -6.574 4.617) 8.345 2.476 ( -1.031 -2.359 4.827) 5.471 2.483 ( -0.672 -7.191 -2.787) 7.742 2.502 ( -4.429 -1.557 -3.608) 5.921 2.684 ( -4.926 -4.564 -3.495) 7.571 3.009 ( 4.555 -2.797 -1.726) 5.617 3.102 ( 2.320 -3.680 0.350) 4.364 3.169 ( -7.514 4.683 -3.125) 9.389 3.293 ( -2.170 0.820 0.923) 2.496 3.347 ( 3.562 1.095 -1.671) 4.084 3.648 ( 1.215 -1.025 1.000) 1.878 3.679 ( -1.319 -2.083 3.864) 4.583 3.793 ( 1.355 -1.356 -0.865) 2.103 3.877 ( -2.913 -6.444 -1.903) 7.323 3.978 ( 5.169 0.821 0.688) 5.279 4.072 ( 0.691 -2.347 -2.786) 3.707 4.218 ( -2.464 -8.467 -4.534) 9.915 4.277 ( -2.215 -0.744 2.293) 3.274 4.390 ( 2.353 5.067 -5.346) 7.732 4.607 ( 1.711 -2.786 -3.222) 4.590 4.669 ( -3.993 -5.058 1.299) 6.574 4.768 ( -4.355 3.039 11.352) 12.533 4.862 ( -1.802 -3.226 0.505) 3.730 4.974 ( 1.180 -5.946 -1.257) 6.191 5.094 ( 2.207 -5.217 -2.436) 6.166 5.183 ( 4.755 1.010 0.691) 4.910 5.250 ( 1.618 -6.190 -0.774) 6.445 5.307 ( -3.893 4.439 -1.462) 6.083 5.389 ( -2.664 -3.301 -0.765) 4.311 5.523 ( 4.000 0.005 7.875) 8.833 5.896 ( 0.976 4.748 4.821) 6.836 6.076 ( 1.171 -0.755 -3.058) 3.361 6.297 ( 1.958 1.738 -7.801) 8.228 6.408 ( 0.890 4.734 1.912) 5.183 6.525 ( 2.425 8.378 -2.751) 9.146 6.674 ( -3.568 5.116 -1.874) 6.513 6.703 ( -0.272 4.487 -2.491) 5.139 6.920 ( 6.491 3.510 0.077) 7.380 7.046 ( -3.245 1.164 0.801) 3.539 7.217 ( -10.222 -1.717 4.323) 11.231 7.435 ( 5.070 -1.752 -2.901) 6.098 8.256 ( -0.270 10.484 4.811) 11.539 8.430 ( 4.030 -2.283 -4.738) 6.626 8.515 ( -0.577 -1.689 5.812) 6.080 8.845 ( 0.194 -2.919 1.482) 3.280 9.055 ( 1.946 2.759 -3.102) 4.585 9.132 ( -5.928 -0.731 -3.096) 6.728 9.466 ( 3.264 2.703 1.288) 4.429 9.662 ( -3.704 1.793 -0.634) 4.164 10.292 ( 1.463 1.662 2.646) 3.450 10.415 ( -1.038 4.645 0.264) 4.767 10.601 ( 1.107 -1.211 1.382) 2.145 10.778 ( 0.175 -1.046 -3.139) 3.313 11.611 ( -0.650 0.363 2.643) 2.746 11.806 ( 0.531 -0.021 1.907) 1.980 11.890 ( 0.653 1.910 -1.972) 2.822 12.074 ( 0.157 0.842 -1.285) 1.544 13.490 ( -0.098 -4.701 0.746) 4.761 13.577 ( -0.084 -1.951 -1.709) 2.595 13.889 ( 0.007 -0.892 1.241) 1.528 13.966 ( 1.249 5.844 -2.023) 6.309 15.887 ( 0.108 -0.028 0.624) 0.634 15.969 ( 0.275 1.211 -1.998) 2.352 16.256 ( -1.410 0.891 1.984) 2.592 16.301 ( 0.286 0.951 -0.609) 1.165 16.599 ( 1.275 -0.763 1.530) 2.132 16.720 ( -2.841 -1.423 1.007) 3.334 16.805 ( 3.096 0.705 -3.091) 4.431 16.875 ( -0.003 -1.874 -2.365) 3.018 17.234 ( -0.489 0.978 3.913) 4.063 17.367 ( -2.300 -0.883 1.806) 3.055 17.605 ( 1.084 -0.833 0.231) 1.387 17.674 ( -0.821 -0.322 -0.139) 0.893 27.692 ( -0.104 -0.157 -0.036) 0.192 27.715 ( -0.579 -1.205 -0.616) 1.472 27.778 ( -0.228 0.511 0.726) 0.916 27.871 ( 0.100 -0.643 -0.696) 0.953 28.700 ( 2.762 0.455 3.884) 4.788 28.958 ( -0.086 -0.415 -0.845) 0.945 29.074 ( -1.227 2.004 -6.634) 7.038 29.252 ( -0.285 -1.403 -5.401) 5.588 29.545 ( -2.982 2.664 2.642) 4.793 29.844 ( -0.994 -3.911 -9.265) 10.105 29.942 ( -2.375 1.758 13.655) 13.971 30.238 ( 7.101 -5.114 3.923) 9.590 31.034 ( -0.614 -0.469 3.047) 3.143 31.169 ( -1.179 2.678 -6.129) 6.792 31.414 ( 6.666 5.013 5.224) 9.842 31.814 ( -5.338 0.627 -4.313) 6.891 ======================= Grid point 191 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -1.368 12.103 9.935) 15.719 1.673 ( 1.065 11.348 7.991) 13.920 1.859 ( -0.005 5.396 -1.123) 5.512 1.949 ( 1.124 2.343 0.293) 2.615 2.021 ( 0.353 -2.829 0.074) 2.852 2.140 ( 0.847 -2.953 -3.461) 4.628 2.208 ( 1.332 3.801 3.185) 5.135 2.364 ( -2.851 0.628 -0.734) 3.010 2.474 ( -9.141 -4.791 -2.282) 10.570 2.509 ( 1.996 0.164 3.805) 4.300 2.604 ( 0.376 -7.623 -3.461) 8.380 2.731 ( 0.377 -3.692 -4.229) 5.627 3.020 ( -4.466 4.477 -3.867) 7.412 3.055 ( 5.853 0.909 -1.742) 6.174 3.163 ( 1.362 -2.201 1.791) 3.147 3.234 ( -3.600 -0.026 0.206) 3.606 3.403 ( 2.331 -0.991 4.426) 5.100 3.675 ( 0.653 0.692 7.156) 7.219 3.689 ( -3.967 0.966 1.298) 4.284 3.801 ( 0.729 2.416 3.898) 4.644 3.914 ( 0.771 0.645 -0.243) 1.034 4.025 ( 1.079 0.274 -1.586) 1.938 4.113 ( 7.840 -1.038 -2.631) 8.334 4.185 ( -0.346 8.575 -3.597) 9.305 4.266 ( 0.928 -0.819 -6.864) 6.974 4.280 ( -4.943 -0.093 -2.876) 5.720 4.567 ( -3.720 5.147 1.594) 6.548 4.669 ( -0.833 6.837 3.551) 7.749 4.741 ( -4.816 0.080 3.820) 6.148 4.884 ( -0.174 1.256 1.359) 1.859 5.018 ( -2.593 0.980 -2.671) 3.850 5.095 ( 3.063 5.484 -3.894) 7.390 5.177 ( 8.678 5.523 3.801) 10.966 5.228 ( -0.108 2.153 -1.108) 2.424 5.288 ( -2.615 -0.014 -3.131) 4.079 5.440 ( -0.512 -7.515 -3.870) 8.469 5.636 ( -1.119 -4.947 11.311) 12.396 5.848 ( -0.058 4.070 3.253) 5.210 6.063 ( 5.373 1.742 -4.834) 7.434 6.222 ( -0.236 2.162 -10.262) 10.490 6.370 ( -3.513 2.472 1.766) 4.645 6.417 ( 2.528 5.280 -0.731) 5.900 6.669 ( 0.464 -2.449 -0.432) 2.529 6.674 ( 1.878 -8.425 -3.157) 9.191 6.993 ( 6.509 -4.049 2.374) 8.025 7.039 ( -6.625 -2.712 0.653) 7.188 7.212 ( -5.677 -4.716 6.575) 9.885 7.531 ( 3.332 -7.424 -7.947) 11.374 8.154 ( -1.171 4.668 9.210) 10.392 8.447 ( 1.233 -2.604 -7.309) 7.856 8.642 ( 3.932 -6.385 5.486) 9.291 8.923 ( -0.877 -4.690 -5.560) 7.327 9.043 ( 1.043 -3.245 0.501) 3.446 9.121 ( -4.284 -5.250 -2.485) 7.217 9.507 ( 4.855 -2.327 3.420) 6.378 9.611 ( -5.643 -0.724 -0.824) 5.748 10.292 ( -0.591 0.673 3.162) 3.286 10.329 ( -2.436 3.758 0.890) 4.566 10.640 ( 2.616 -0.592 1.484) 3.065 10.778 ( 1.133 -0.512 -4.394) 4.566 11.612 ( -0.425 0.753 2.889) 3.016 11.776 ( -0.393 1.838 -4.695) 5.058 11.894 ( 1.341 0.270 4.970) 5.155 12.053 ( 0.040 0.906 -1.848) 2.059 13.533 ( 0.503 1.172 0.446) 1.351 13.550 ( -0.323 3.429 -0.145) 3.447 13.891 ( -1.133 1.975 0.401) 2.312 13.948 ( 2.143 -4.697 -2.151) 5.593 15.893 ( 0.001 -0.346 0.582) 0.677 15.947 ( 0.183 0.315 -2.194) 2.224 16.232 ( -2.401 1.377 2.376) 3.648 16.288 ( 0.830 0.740 -0.587) 1.258 16.631 ( 1.399 -0.600 2.131) 2.619 16.721 ( -3.127 -0.996 0.125) 3.284 16.796 ( 3.421 1.970 -1.607) 4.262 16.885 ( 0.296 -0.830 -3.824) 3.924 17.239 ( -0.988 0.550 5.974) 6.080 17.369 ( -2.245 -0.820 0.385) 2.421 17.615 ( 1.258 0.719 -0.119) 1.454 17.656 ( -1.165 1.003 -1.548) 2.182 27.684 ( 0.061 1.382 1.486) 2.030 27.731 ( -0.407 -1.017 0.475) 1.194 27.767 ( -0.190 0.693 -0.077) 0.723 27.869 ( -0.050 -0.008 -2.484) 2.485 28.769 ( 4.261 -2.311 5.101) 7.037 28.970 ( -2.982 -2.035 -3.464) 5.003 29.032 ( 0.938 -0.966 -0.040) 1.347 29.263 ( -0.085 -3.111 -6.098) 6.846 29.510 ( -3.339 0.831 6.586) 7.431 29.848 ( -0.369 -2.483 -8.978) 9.323 29.957 ( -2.810 1.900 13.629) 14.044 30.400 ( 10.524 -4.025 -2.188) 11.478 30.937 ( -4.442 7.832 -0.189) 9.006 31.095 ( 0.226 1.345 -2.262) 2.642 31.487 ( 6.694 -0.720 4.420) 8.054 31.706 ( -7.281 2.907 -5.587) 9.627 ======================= Grid point 192 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -2.367 11.950 12.838) 17.698 1.562 ( 4.218 10.323 13.127) 17.225 1.777 ( 4.141 5.428 -3.643) 7.738 1.872 ( 0.757 4.526 -5.288) 7.001 2.082 ( -1.702 -2.184 -1.081) 2.973 2.130 ( -0.099 0.745 -0.874) 1.152 2.171 ( 2.407 4.297 2.006) 5.318 2.264 ( -2.937 4.287 -5.705) 7.717 2.474 ( -7.374 0.953 6.886) 10.134 2.487 ( -1.788 4.139 2.346) 5.083 2.676 ( -1.421 0.126 -6.842) 6.989 2.730 ( 2.517 -0.971 -2.718) 3.829 2.923 ( -2.522 2.325 -3.545) 4.933 3.095 ( 6.482 -0.396 -1.812) 6.742 3.191 ( -3.536 3.868 3.555) 6.333 3.228 ( 1.002 0.671 2.479) 2.757 3.409 ( -2.641 4.668 11.695) 12.867 3.595 ( -1.369 6.146 6.989) 9.407 3.724 ( 0.404 -1.091 7.400) 7.491 3.785 ( 0.339 1.407 2.989) 3.321 3.870 ( -0.801 3.750 -2.209) 4.426 3.951 ( 2.910 6.677 -5.448) 9.096 4.034 ( 4.197 5.036 -6.364) 9.137 4.150 ( 3.987 5.510 -4.595) 8.208 4.245 ( -6.740 -3.537 -4.486) 8.836 4.253 ( 1.411 2.989 -0.413) 3.331 4.402 ( -3.840 10.860 1.161) 11.578 4.543 ( 3.587 7.257 -0.413) 8.106 4.697 ( -6.038 0.108 6.501) 8.873 4.839 ( 0.694 4.417 1.615) 4.755 4.911 ( -1.747 4.986 -2.263) 5.747 5.060 ( 2.175 0.748 -5.718) 6.163 5.129 ( 2.692 3.687 -1.227) 4.727 5.218 ( 6.131 3.119 -1.643) 7.073 5.281 ( -5.559 -4.450 2.462) 7.534 5.532 ( 0.363 -5.320 -3.878) 6.593 5.732 ( -6.062 -4.526 5.347) 9.264 5.821 ( -1.045 -0.587 3.061) 3.287 6.060 ( 2.758 2.056 -4.088) 5.343 6.155 ( 7.416 1.991 -7.402) 10.666 6.316 ( 0.870 1.666 -1.067) 2.162 6.385 ( 3.666 1.645 -1.264) 4.212 6.745 ( -1.048 -4.040 1.562) 4.456 6.817 ( 3.996 -2.519 -0.960) 4.820 7.011 ( -9.914 -5.682 1.515) 11.527 7.163 ( 5.283 -8.340 0.879) 9.912 7.385 ( -0.170 -12.757 7.778) 14.943 7.623 ( -2.479 -8.155 -9.631) 12.861 8.178 ( -1.145 -2.522 11.050) 11.392 8.488 ( 3.086 -5.208 -8.595) 10.513 8.807 ( 6.495 -5.357 5.630) 10.128 8.872 ( -8.968 -0.243 -8.221) 12.168 9.206 ( -4.695 -9.097 -1.509) 10.347 9.230 ( 4.696 -12.663 1.226) 13.561 9.589 ( -7.892 -4.999 -0.407) 9.351 9.647 ( 5.815 -5.713 3.130) 8.733 10.235 ( -6.295 2.475 1.897) 7.025 10.325 ( 2.641 -0.183 2.978) 3.984 10.668 ( 2.717 0.796 0.936) 2.982 10.769 ( 1.657 0.258 -5.031) 5.303 11.605 ( -0.531 1.297 2.751) 3.087 11.718 ( -0.022 1.932 -4.717) 5.098 11.931 ( 1.923 -0.093 4.985) 5.343 12.029 ( 0.647 0.893 -2.414) 2.654 13.436 ( -1.184 7.464 0.673) 7.588 13.510 ( 2.715 3.904 -1.992) 5.156 13.881 ( -3.149 -1.207 3.571) 4.911 14.043 ( 2.958 -5.547 -3.688) 7.288 15.907 ( -0.101 -1.155 0.434) 1.238 15.945 ( 0.920 -0.960 -1.721) 2.174 16.202 ( -2.150 1.306 2.459) 3.518 16.284 ( 1.611 0.617 -0.811) 1.906 16.659 ( 1.118 -0.235 2.131) 2.418 16.697 ( -3.243 0.435 -1.710) 3.692 16.787 ( 2.816 1.872 0.962) 3.516 16.867 ( 0.375 0.987 -4.305) 4.433 17.259 ( -1.848 -0.355 7.310) 7.548 17.361 ( -2.354 -0.491 -0.304) 2.424 17.601 ( 0.852 1.839 -0.539) 2.097 17.610 ( -0.966 2.327 -1.890) 3.150 27.666 ( 0.501 2.134 2.701) 3.478 27.737 ( -0.489 -0.051 -2.258) 2.311 27.758 ( 0.158 0.663 2.582) 2.671 27.851 ( -0.379 0.106 -3.306) 3.329 28.871 ( 0.963 -3.721 3.300) 5.066 28.966 ( -0.102 -3.720 -4.019) 5.477 29.112 ( 1.872 -4.211 5.642) 7.285 29.285 ( -0.909 -3.717 -6.747) 7.757 29.535 ( -1.318 -1.016 9.917) 10.055 29.831 ( -0.404 -0.321 -6.427) 6.447 29.968 ( -3.170 1.056 10.044) 10.585 30.417 ( 3.270 5.601 -13.990) 15.420 30.876 ( 0.142 -1.033 7.303) 7.377 31.056 ( 2.510 4.433 -1.754) 5.388 31.482 ( -6.349 1.886 -1.399) 6.770 31.642 ( 5.329 -0.060 -1.089) 5.439 ======================= Grid point 196 (95/140) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 7.290 -0.000 -12.061) 14.093 1.409 ( 3.183 -0.000 -21.505) 21.739 1.698 ( -1.471 0.000 -11.331) 11.426 1.756 ( 11.597 -0.000 6.513) 13.301 1.793 ( 7.335 -0.000 11.110) 13.313 1.961 ( -1.464 0.000 2.083) 2.546 2.103 ( -2.065 0.000 0.871) 2.241 2.185 ( 2.745 -0.000 1.938) 3.360 2.265 ( -5.129 0.000 -5.408) 7.454 2.335 ( 0.791 -0.000 1.514) 1.709 2.464 ( 5.184 -0.000 3.297) 6.144 2.582 ( -0.017 0.000 7.470) 7.470 2.697 ( 2.133 -0.000 -7.503) 7.801 2.853 ( -0.810 0.000 -0.055) 0.812 2.986 ( -15.140 0.000 0.817) 15.162 3.112 ( -2.973 0.000 -1.063) 3.157 3.216 ( -1.139 0.000 9.795) 9.861 3.378 ( 1.257 -0.000 -10.985) 11.057 3.524 ( -4.708 0.000 7.769) 9.084 3.571 ( 4.988 -0.000 -4.326) 6.602 3.738 ( -5.637 0.000 -1.021) 5.729 3.813 ( 1.457 -0.000 -6.365) 6.529 3.891 ( -1.461 0.000 1.799) 2.317 3.909 ( -0.411 0.000 3.845) 3.867 4.055 ( -10.904 0.000 -1.000) 10.949 4.266 ( -5.940 0.000 5.137) 7.853 4.447 ( 15.676 -0.000 -10.528) 18.883 4.525 ( -6.726 0.000 3.627) 7.641 4.654 ( 5.458 -0.000 -9.877) 11.284 4.881 ( 3.517 -0.000 2.359) 4.235 4.895 ( -2.494 0.000 13.545) 13.772 4.951 ( 0.184 -0.000 9.315) 9.317 5.027 ( 2.533 -0.000 -4.066) 4.790 5.257 ( -1.826 0.000 -6.503) 6.754 5.338 ( -0.469 0.000 -13.076) 13.084 5.417 ( 0.945 -0.000 0.807) 1.243 5.752 ( -1.107 0.000 3.998) 4.148 5.965 ( -2.738 0.000 -1.425) 3.087 6.222 ( 5.961 -0.000 0.419) 5.975 6.463 ( -1.674 0.000 -0.518) 1.752 6.557 ( 2.745 -0.000 1.770) 3.266 6.720 ( 11.002 -0.000 1.856) 11.158 6.777 ( 11.725 -0.000 1.795) 11.861 7.052 ( 2.712 -0.000 -1.248) 2.985 7.177 ( -8.457 0.000 2.113) 8.717 7.331 ( -2.050 0.000 -1.210) 2.380 7.536 ( -5.938 0.000 -4.864) 7.676 7.725 ( -7.563 0.000 -0.172) 7.565 8.217 ( -6.449 0.000 0.485) 6.467 8.446 ( -3.849 0.000 4.391) 5.839 8.601 ( 3.484 -0.000 1.063) 3.643 9.289 ( -0.444 0.000 5.523) 5.541 9.419 ( 3.338 -0.000 -4.029) 5.232 9.504 ( 4.098 -0.000 -2.913) 5.028 9.866 ( -4.368 0.000 0.577) 4.406 9.964 ( -0.053 0.000 1.411) 1.412 10.329 ( -4.285 0.000 2.270) 4.849 10.372 ( 6.298 -0.000 -1.652) 6.511 10.514 ( -2.819 0.000 2.897) 4.042 10.667 ( 1.375 -0.000 -3.499) 3.759 11.588 ( -0.603 0.000 3.756) 3.804 11.693 ( 2.898 -0.000 0.569) 2.953 12.004 ( 2.713 -0.000 -4.643) 5.378 12.128 ( 0.245 -0.000 -0.519) 0.574 13.127 ( -2.450 0.000 2.399) 3.429 13.429 ( 2.382 -0.000 -7.361) 7.737 13.953 ( -3.185 0.000 8.457) 9.037 14.254 ( 3.791 -0.000 -4.912) 6.205 15.923 ( 0.529 -0.000 0.515) 0.738 16.121 ( 3.778 -0.000 -3.393) 5.078 16.296 ( 2.003 -0.000 0.495) 2.064 16.316 ( 2.217 -0.000 -0.743) 2.338 16.601 ( -2.411 0.000 -0.504) 2.463 16.603 ( -0.793 0.000 -0.032) 0.794 16.714 ( -0.881 0.000 2.984) 3.111 16.819 ( 0.270 -0.000 -0.028) 0.271 17.341 ( -1.486 0.000 1.793) 2.329 17.372 ( -3.125 0.000 6.745) 7.433 17.387 ( -0.664 0.000 -1.437) 1.583 17.499 ( 1.492 -0.000 0.488) 1.570 27.612 ( 0.662 -0.000 -3.709) 3.768 27.679 ( -1.149 0.000 -1.206) 1.666 27.789 ( 0.916 -0.000 1.531) 1.784 27.816 ( -0.825 0.000 3.493) 3.590 29.172 ( -0.860 0.000 0.286) 0.906 29.203 ( 1.647 -0.000 -3.822) 4.162 29.281 ( -2.647 0.000 -13.246) 13.508 29.323 ( 0.386 -0.000 0.697) 0.796 29.422 ( -5.045 0.000 -7.377) 8.937 29.598 ( -0.861 0.000 -4.073) 4.163 29.889 ( -1.924 0.000 4.132) 4.558 29.916 ( 1.658 -0.000 2.879) 3.322 30.752 ( -5.542 0.000 20.383) 21.123 30.960 ( 10.447 -0.000 -0.038) 10.447 31.711 ( -3.827 0.000 7.010) 7.987 32.103 ( 9.717 -0.000 -10.804) 14.531 ======================= Grid point 197 (96/140) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 9.812 -6.676 -11.539) 16.552 1.519 ( 5.141 -15.038 -13.901) 21.114 1.665 ( -4.552 -5.894 -7.767) 10.761 1.862 ( 3.355 -0.948 2.693) 4.405 1.955 ( 5.692 -6.839 6.494) 11.016 2.021 ( -0.068 -5.761 2.955) 6.475 2.091 ( 2.040 1.549 3.432) 4.282 2.194 ( -7.447 -1.593 -6.028) 9.713 2.243 ( 3.442 -2.931 0.028) 4.521 2.360 ( 1.106 0.319 3.924) 4.089 2.531 ( 1.668 -2.804 -3.841) 5.040 2.615 ( 0.308 -3.541 2.932) 4.608 2.735 ( 1.170 -4.026 1.549) 4.470 2.845 ( -11.701 2.429 2.222) 12.156 2.921 ( -2.396 -4.493 -0.221) 5.097 3.073 ( 0.155 -5.398 -0.066) 5.400 3.339 ( -1.410 -5.203 2.464) 5.927 3.417 ( 2.566 -8.790 -7.806) 12.032 3.502 ( -3.576 0.230 4.833) 6.016 3.670 ( -3.984 -3.506 -0.971) 5.395 3.694 ( 0.446 -4.739 0.126) 4.761 3.806 ( 2.387 -0.267 -3.872) 4.556 3.842 ( -2.139 1.543 0.108) 2.640 3.971 ( -5.061 0.405 -0.981) 5.171 3.999 ( 0.838 -5.652 1.796) 5.989 4.265 ( -3.390 -3.503 3.070) 5.761 4.382 ( 1.013 6.757 -2.418) 7.247 4.597 ( 2.828 -5.126 -3.429) 6.784 4.669 ( 4.924 -1.222 -7.367) 8.945 4.895 ( -4.311 1.182 8.454) 9.563 4.949 ( 3.530 1.368 2.125) 4.342 4.977 ( -1.203 -0.395 7.778) 7.881 5.049 ( 0.188 -1.142 4.618) 4.760 5.207 ( 3.325 1.477 -12.333) 12.858 5.228 ( -0.672 4.458 -7.171) 8.470 5.447 ( 2.147 -1.394 0.313) 2.579 5.671 ( -2.662 7.467 0.661) 7.955 5.964 ( -1.902 -2.675 -2.651) 4.219 6.218 ( 2.804 5.513 3.366) 7.042 6.439 ( -1.248 -0.089 -3.985) 4.177 6.617 ( 5.028 -2.182 2.526) 6.035 6.801 ( 8.815 1.473 1.482) 9.059 6.849 ( 8.998 2.172 1.137) 9.326 7.014 ( -6.214 8.314 1.331) 10.464 7.084 ( -7.328 -2.658 -2.307) 8.130 7.290 ( -3.573 3.301 -1.948) 5.240 7.417 ( -3.001 5.437 -3.917) 7.343 7.654 ( -5.130 2.535 -0.001) 5.722 8.251 ( 2.372 -3.777 3.682) 5.784 8.469 ( 0.807 -0.515 8.391) 8.445 8.598 ( 0.501 2.972 0.809) 3.121 9.243 ( -2.315 7.532 5.503) 9.611 9.381 ( 3.435 5.277 -3.955) 7.436 9.422 ( -1.671 7.793 -7.512) 10.952 9.786 ( -0.719 6.752 2.198) 7.137 9.911 ( -1.388 5.824 0.447) 6.004 10.295 ( 0.326 -0.084 2.631) 2.652 10.476 ( 2.406 -4.665 -1.622) 5.494 10.521 ( -1.914 -1.387 2.808) 3.670 10.685 ( 1.389 -2.333 -2.876) 3.955 11.602 ( -0.815 -0.103 3.730) 3.819 11.728 ( 2.594 -0.896 1.952) 3.368 11.996 ( 2.340 0.758 -4.652) 5.262 12.117 ( -0.685 0.297 -1.753) 1.905 13.159 ( -1.900 -4.442 2.194) 5.305 13.414 ( 1.716 -1.012 -7.527) 7.786 13.959 ( -2.845 1.213 7.970) 8.549 14.235 ( 3.257 2.809 -4.845) 6.479 15.923 ( 0.861 1.225 1.324) 1.999 16.105 ( 2.833 3.099 -3.203) 5.281 16.291 ( 1.627 1.404 0.667) 2.250 16.338 ( 0.906 -0.225 -0.503) 1.061 16.562 ( 0.202 0.793 -0.260) 0.858 16.634 ( -2.158 -2.705 -0.617) 3.515 16.741 ( -0.453 -2.258 2.086) 3.108 16.817 ( -0.046 0.071 -0.557) 0.564 17.298 ( -0.426 2.534 0.670) 2.655 17.363 ( -2.829 0.981 4.564) 5.458 17.441 ( -0.492 -4.585 1.428) 4.827 17.554 ( 0.733 -3.705 1.880) 4.218 27.611 ( 0.677 -1.318 -3.057) 3.397 27.667 ( -1.679 -1.017 -2.433) 3.126 27.803 ( 1.011 0.505 2.395) 2.648 27.830 ( -0.495 -0.382 3.006) 3.070 28.976 ( -0.574 11.871 0.775) 11.911 29.147 ( 1.598 4.235 -9.237) 10.287 29.236 ( -1.565 3.220 -6.426) 7.356 29.321 ( -4.352 0.918 -9.399) 10.399 29.483 ( 0.643 -13.955 -2.675) 14.223 29.628 ( -1.796 -4.147 -1.593) 4.791 29.885 ( -0.066 0.443 4.670) 4.691 29.968 ( 0.109 -2.314 3.664) 4.335 30.826 ( -4.770 -2.054 19.961) 20.626 31.060 ( 11.523 -0.687 1.107) 11.597 31.705 ( -6.854 0.028 6.789) 9.647 32.061 ( 8.570 6.899 -11.508) 15.921 ======================= Grid point 198 (97/140) ======================= q-point: ( 0.56 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 10.234 -9.860 -2.833) 14.490 1.706 ( 2.118 -8.364 -5.159) 10.053 1.769 ( -1.919 -11.821 -6.253) 13.509 1.907 ( -0.186 -4.378 1.799) 4.737 2.046 ( 6.772 3.088 0.651) 7.471 2.120 ( -7.639 -0.443 -0.635) 7.678 2.140 ( -3.535 -6.442 2.378) 7.723 2.187 ( 2.667 -5.005 0.781) 5.725 2.310 ( 3.264 -1.394 -1.320) 3.786 2.369 ( -1.001 -1.659 5.397) 5.734 2.556 ( -8.668 2.433 -5.425) 10.511 2.614 ( -1.077 -2.310 -3.900) 4.659 2.811 ( -1.363 -7.150 2.702) 7.764 2.869 ( 5.741 -4.718 3.616) 8.264 3.030 ( -2.165 -10.834 3.743) 11.666 3.263 ( -0.281 -14.728 -3.948) 15.251 3.321 ( -4.071 3.327 -3.158) 6.133 3.520 ( -2.132 -3.562 -3.113) 5.189 3.581 ( 0.660 -7.318 5.882) 9.412 3.664 ( -4.224 -3.582 -0.914) 5.613 3.788 ( -4.391 -1.759 1.013) 4.837 3.821 ( -3.568 -2.140 -1.850) 4.554 3.898 ( 9.559 -12.372 -3.118) 15.942 3.950 ( -1.426 -2.158 -0.729) 2.688 4.133 ( 2.999 -6.789 -1.203) 7.519 4.268 ( 0.136 3.489 -0.673) 3.555 4.404 ( 1.294 -9.266 4.932) 10.576 4.645 ( -4.082 0.098 -2.222) 4.648 4.689 ( 5.924 -2.855 -3.829) 7.610 4.872 ( -4.301 0.858 3.754) 5.774 4.921 ( -1.094 3.430 2.444) 4.351 4.989 ( -1.958 2.851 -3.268) 4.759 5.067 ( 2.138 -2.408 0.449) 3.252 5.173 ( -0.337 -2.387 3.386) 4.157 5.212 ( 5.583 -1.273 -6.270) 8.492 5.500 ( 3.563 -0.836 3.943) 5.380 5.519 ( -3.515 6.724 -2.289) 7.925 5.990 ( 0.441 -3.305 -4.275) 5.422 6.136 ( -1.189 7.706 6.554) 10.186 6.405 ( 1.843 1.682 -6.427) 6.894 6.683 ( 5.238 4.222 1.353) 6.862 6.803 ( -1.347 8.421 2.396) 8.858 6.816 ( 6.649 4.695 1.189) 8.226 6.870 ( 2.330 3.028 -1.291) 4.033 7.043 ( -12.027 -1.639 -1.153) 12.192 7.151 ( -4.063 4.639 -6.165) 8.720 7.302 ( 0.247 7.800 3.067) 8.385 7.556 ( -2.248 5.198 -1.118) 5.773 8.364 ( 6.505 -2.530 2.656) 7.468 8.524 ( -2.843 4.313 1.715) 5.443 8.548 ( 4.696 -0.098 8.151) 9.407 9.051 ( -4.100 14.460 3.700) 15.479 9.227 ( -5.602 5.887 -6.160) 10.197 9.272 ( 3.651 8.566 -3.908) 10.099 9.671 ( 2.144 8.556 1.535) 8.953 9.790 ( -2.434 6.083 -0.825) 6.603 10.327 ( 0.315 -0.470 3.607) 3.651 10.514 ( -0.809 -0.388 -3.354) 3.472 10.560 ( 1.940 -1.326 3.801) 4.469 10.723 ( 1.001 -2.356 -2.610) 3.656 11.615 ( -0.617 -0.045 3.842) 3.891 11.778 ( 1.713 -1.352 2.809) 3.557 11.966 ( 1.361 2.104 -3.992) 4.714 12.095 ( -0.644 0.316 -2.596) 2.693 13.257 ( -1.101 -7.413 1.517) 7.646 13.431 ( 1.495 -3.762 -6.285) 7.476 13.944 ( -2.468 2.264 6.665) 7.459 14.169 ( 2.578 5.112 -4.383) 7.210 15.912 ( 0.916 1.559 1.548) 2.380 16.046 ( 1.031 3.614 -2.712) 4.634 16.286 ( 0.512 0.945 0.977) 1.453 16.331 ( -0.012 0.834 -0.712) 1.097 16.572 ( 1.688 -0.645 0.359) 1.842 16.652 ( -2.935 -2.391 -0.688) 3.848 16.788 ( 0.365 -2.423 0.214) 2.460 16.817 ( 0.393 -0.461 -0.927) 1.107 17.272 ( 0.395 1.410 1.701) 2.245 17.349 ( -3.026 0.062 2.893) 4.187 17.522 ( 0.316 -4.049 2.145) 4.593 17.623 ( -0.210 -2.959 1.533) 3.339 27.634 ( 0.595 -2.231 -2.057) 3.092 27.664 ( -1.720 -1.681 -2.353) 3.364 27.808 ( 0.508 0.956 2.339) 2.577 27.848 ( 0.012 -0.579 1.748) 1.842 28.825 ( 1.047 7.420 2.695) 7.964 29.042 ( 1.765 5.062 -5.156) 7.438 29.140 ( -2.232 1.984 -9.186) 9.660 29.231 ( -3.293 -0.022 -9.605) 10.154 29.631 ( -2.585 0.353 0.877) 2.752 29.681 ( 1.898 -8.169 -3.796) 9.206 29.924 ( -2.361 -2.049 8.228) 8.802 30.047 ( 2.449 -5.102 2.133) 6.048 30.936 ( -3.239 -3.823 17.141) 17.858 31.161 ( 10.320 -0.151 0.221) 10.324 31.655 ( -7.862 2.497 4.227) 9.269 31.924 ( 5.737 8.971 -10.654) 15.063 ======================= Grid point 199 (98/140) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.023 -7.139 1.755) 7.351 1.832 ( 5.685 -5.347 1.296) 7.911 1.901 ( 1.668 -8.711 -0.525) 8.885 1.959 ( -3.731 5.419 2.086) 6.902 2.020 ( -1.163 1.611 4.446) 4.870 2.090 ( -1.033 -1.329 0.763) 1.848 2.187 ( -1.449 -4.258 -5.103) 6.802 2.268 ( 2.295 -1.998 -0.883) 3.168 2.346 ( -1.382 -3.356 -0.403) 3.652 2.402 ( -4.040 -1.176 -0.378) 4.225 2.480 ( 0.181 -2.412 -1.141) 2.674 2.603 ( 0.151 -0.314 -2.232) 2.259 2.935 ( 0.788 -6.595 0.112) 6.643 3.026 ( 2.990 -6.920 -1.092) 7.617 3.187 ( -5.962 3.855 0.778) 7.142 3.219 ( -1.404 -7.275 2.425) 7.796 3.409 ( 2.532 -0.372 -4.734) 5.382 3.531 ( -2.389 -6.081 -4.551) 7.962 3.681 ( -2.401 -2.128 -0.394) 3.232 3.714 ( 3.259 -4.570 -0.416) 5.629 3.813 ( -2.982 -2.688 5.656) 6.936 3.868 ( -8.418 -9.705 0.428) 12.854 4.013 ( 0.269 -6.169 -1.569) 6.371 4.118 ( 5.082 -2.402 -0.659) 5.660 4.251 ( 2.346 -5.231 -0.813) 5.790 4.321 ( 5.257 -11.108 -4.253) 13.005 4.558 ( -3.068 0.548 0.815) 3.221 4.592 ( -1.120 -4.306 4.495) 6.325 4.794 ( -3.163 -0.756 0.801) 3.350 4.830 ( 3.603 -0.546 -0.150) 3.647 4.866 ( -4.813 -4.045 2.149) 6.644 4.999 ( 3.048 -4.699 -3.193) 6.447 5.126 ( 1.846 -2.792 -1.273) 3.581 5.243 ( -1.021 -4.313 1.734) 4.759 5.286 ( 6.619 -3.857 -4.000) 8.642 5.377 ( -3.561 5.309 -1.144) 6.494 5.569 ( 1.095 -1.101 8.356) 8.499 6.019 ( -1.862 6.806 2.346) 7.436 6.037 ( 1.410 -2.673 -1.991) 3.619 6.342 ( 2.549 4.223 -6.996) 8.560 6.560 ( 1.043 10.112 4.004) 10.925 6.677 ( -0.260 9.699 -3.247) 10.231 6.745 ( -0.699 7.423 -0.510) 7.473 6.805 ( 3.351 5.257 -3.523) 7.161 6.997 ( -6.504 -0.794 0.904) 6.614 7.058 ( 3.273 2.765 -2.497) 4.959 7.193 ( -4.075 5.751 7.447) 10.254 7.453 ( -0.507 3.467 -4.114) 5.404 8.403 ( -5.676 2.889 1.242) 6.489 8.457 ( 9.750 4.093 -2.514) 10.869 8.598 ( 3.725 4.843 10.535) 12.178 8.855 ( -1.602 4.356 2.778) 5.410 9.085 ( -5.867 2.636 -4.086) 7.621 9.139 ( 2.319 7.625 -4.485) 9.145 9.573 ( 2.875 6.113 2.138) 7.085 9.675 ( -3.114 4.253 -2.255) 5.733 10.336 ( -1.023 1.249 4.146) 4.450 10.459 ( -3.320 3.000 -2.371) 5.065 10.617 ( 3.810 -0.710 2.839) 4.804 10.748 ( 1.349 -1.373 -3.379) 3.888 11.631 ( -0.230 0.301 4.257) 4.274 11.809 ( 0.066 -0.210 -0.922) 0.948 11.926 ( 1.154 1.913 0.407) 2.271 12.073 ( -0.441 0.253 -3.054) 3.096 13.387 ( -0.273 -7.681 1.151) 7.771 13.496 ( 0.909 -5.413 -4.269) 6.953 13.914 ( -1.792 2.357 4.523) 5.406 14.071 ( 1.972 6.340 -3.535) 7.522 15.905 ( 0.880 1.085 1.462) 2.022 15.985 ( -0.322 2.332 -2.574) 3.488 16.272 ( -1.063 1.116 1.454) 2.118 16.314 ( 0.116 0.755 -0.733) 1.059 16.605 ( 1.698 -0.930 1.601) 2.512 16.662 ( -3.278 -2.266 -0.620) 4.033 16.823 ( 0.921 -1.433 -1.447) 2.234 16.831 ( 1.536 -0.940 -1.553) 2.378 17.269 ( 0.372 1.001 3.416) 3.579 17.340 ( -2.949 -0.665 1.234) 3.265 17.592 ( 0.958 -2.318 2.062) 3.247 17.657 ( -0.653 -1.147 0.116) 1.325 27.670 ( 0.453 -2.241 -0.899) 2.457 27.673 ( -1.366 -1.943 -1.387) 2.750 27.803 ( 0.206 1.278 2.085) 2.454 27.862 ( 0.214 -0.347 -0.167) 0.441 28.775 ( 3.240 3.069 4.706) 6.486 28.970 ( 0.557 2.697 -2.696) 3.854 29.048 ( -2.839 1.125 -7.487) 8.086 29.183 ( -1.051 -1.641 -8.953) 9.163 29.579 ( -4.623 2.597 3.269) 6.229 29.764 ( 2.883 -2.616 -5.312) 6.586 29.977 ( -4.574 -1.783 10.617) 11.697 30.198 ( 6.365 -7.336 1.084) 9.773 31.041 ( -1.411 -2.090 9.460) 9.790 31.203 ( 4.713 3.235 -2.145) 6.106 31.556 ( -2.271 4.533 3.689) 6.270 31.786 ( -0.219 4.655 -7.790) 9.077 ======================= Grid point 200 (99/140) ======================= q-point: (-0.22 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -3.850 6.117 5.725) 9.221 1.802 ( -7.779 1.855 4.059) 8.968 1.938 ( 2.929 -0.198 -0.546) 2.986 2.001 ( 4.389 2.086 5.336) 7.217 2.034 ( 2.548 4.628 -2.896) 6.024 2.068 ( 0.743 -3.869 0.868) 4.034 2.220 ( -10.925 -8.340 -0.867) 13.772 2.333 ( 4.912 1.083 1.534) 5.258 2.348 ( -3.211 0.578 -3.233) 4.593 2.455 ( 1.772 -8.308 -1.934) 8.712 2.529 ( 2.179 -1.947 2.819) 4.060 2.653 ( 2.995 -4.593 -2.434) 5.999 3.003 ( -5.321 0.293 -0.710) 5.376 3.079 ( 4.086 -2.157 -4.857) 6.704 3.137 ( -0.386 -1.889 1.761) 2.611 3.253 ( -1.075 3.351 -2.093) 4.094 3.398 ( 2.271 -1.769 2.132) 3.582 3.605 ( -1.304 -5.591 -5.782) 8.148 3.705 ( -1.271 -1.887 4.130) 4.715 3.799 ( -0.865 -5.056 -4.007) 6.509 3.863 ( -2.625 -1.497 7.592) 8.171 3.944 ( -7.954 -5.735 0.437) 9.816 4.106 ( 0.516 -5.351 -0.754) 5.429 4.171 ( 5.960 -0.628 -1.512) 6.181 4.285 ( 1.898 2.768 0.141) 3.360 4.422 ( 7.816 5.387 -4.690) 10.588 4.592 ( -6.085 -2.402 -0.532) 6.564 4.611 ( -0.768 -4.568 1.406) 4.841 4.777 ( -4.385 -0.286 6.706) 8.017 4.873 ( 0.814 -1.568 3.315) 3.756 4.972 ( -0.118 -3.821 -1.699) 4.183 5.096 ( 3.277 -4.638 -4.553) 7.279 5.184 ( -1.961 -3.501 -3.303) 5.197 5.295 ( -0.421 1.595 0.323) 1.681 5.309 ( 2.507 -3.320 -0.677) 4.215 5.365 ( 6.113 0.438 -0.831) 6.184 5.621 ( -4.497 -1.084 10.112) 11.120 5.905 ( -5.765 4.326 3.059) 7.830 6.090 ( 6.418 -1.869 -4.720) 8.183 6.241 ( 1.427 5.711 -6.925) 9.089 6.423 ( -2.284 7.444 1.189) 7.877 6.553 ( 3.162 1.612 -4.295) 5.572 6.595 ( -1.301 7.495 0.735) 7.642 6.732 ( 7.509 5.825 -2.995) 9.963 6.946 ( -8.272 -1.357 -0.414) 8.393 7.049 ( 4.882 3.107 2.127) 6.165 7.152 ( -4.991 -0.936 7.702) 9.225 7.424 ( 0.526 -2.808 -6.110) 6.744 8.302 ( -1.381 5.841 2.545) 6.520 8.398 ( -0.151 3.471 -2.144) 4.083 8.645 ( 5.177 -0.969 8.116) 9.675 8.865 ( 2.564 -0.911 -4.560) 5.310 9.014 ( -4.893 -1.422 -2.447) 5.652 9.040 ( 1.293 2.326 -0.780) 2.773 9.542 ( -0.119 1.803 2.489) 3.076 9.587 ( -0.443 1.956 -1.402) 2.447 10.313 ( -3.490 2.002 3.085) 5.070 10.366 ( -3.415 2.940 0.273) 4.514 10.668 ( 3.921 -0.285 1.550) 4.226 10.759 ( 2.186 -0.633 -4.264) 4.833 11.640 ( -0.218 0.882 4.263) 4.359 11.774 ( -0.920 1.389 -5.062) 5.329 11.936 ( 1.438 0.370 4.933) 5.152 12.050 ( -0.323 0.271 -3.511) 3.536 13.503 ( 0.264 -5.083 1.445) 5.291 13.555 ( -0.191 -2.348 -2.140) 3.182 13.896 ( -0.604 -0.058 1.233) 1.374 13.968 ( 1.513 5.427 -2.297) 6.085 15.903 ( 0.701 0.676 1.235) 1.573 15.943 ( -0.561 0.843 -2.325) 2.536 16.249 ( -1.731 1.297 2.080) 3.001 16.302 ( 0.361 0.513 -0.534) 0.823 16.640 ( 0.766 -0.924 2.319) 2.611 16.669 ( -2.838 -1.766 -0.558) 3.388 16.836 ( 1.803 0.060 -2.203) 2.847 16.852 ( 1.921 -0.978 -2.282) 3.139 17.273 ( -0.832 0.846 4.884) 5.026 17.336 ( -2.187 -0.884 0.160) 2.365 17.630 ( 0.810 -0.312 1.217) 1.495 17.656 ( -0.459 0.354 -0.937) 1.102 27.689 ( -0.524 -1.242 0.104) 1.352 27.703 ( -0.045 -1.711 -0.364) 1.750 27.792 ( 0.227 1.379 2.157) 2.570 27.860 ( 0.264 0.203 -1.971) 1.999 28.808 ( 3.637 -0.021 5.194) 6.341 28.915 ( -1.815 0.540 -5.760) 6.063 29.019 ( -0.007 -1.175 1.147) 1.642 29.174 ( -0.157 -2.777 -8.737) 9.170 29.529 ( -4.481 1.208 6.243) 7.779 29.784 ( 2.282 -1.291 -6.600) 7.101 30.007 ( -5.391 -0.002 11.853) 13.021 30.376 ( 8.889 -6.319 -3.165) 11.356 31.009 ( -6.046 6.078 -0.074) 8.573 31.143 ( 4.528 3.548 -0.580) 5.781 31.543 ( -2.036 0.340 3.022) 3.660 31.690 ( 0.837 2.767 -3.269) 4.364 ======================= Grid point 201 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -4.633 7.830 6.294) 11.063 1.767 ( 0.546 4.586 5.435) 7.132 1.899 ( 3.864 6.041 1.285) 7.285 1.947 ( 1.081 5.822 -2.679) 6.499 2.045 ( 0.495 0.617 -4.958) 5.021 2.096 ( 0.821 -3.908 1.817) 4.387 2.237 ( -5.453 2.442 -4.949) 7.759 2.306 ( -3.283 -3.233 6.970) 8.356 2.351 ( -1.194 0.447 2.369) 2.690 2.535 ( -4.363 -1.309 1.909) 4.939 2.622 ( 3.710 -1.828 0.136) 4.138 2.732 ( 6.020 -2.972 -4.719) 8.206 2.910 ( -5.291 2.889 0.102) 6.029 3.121 ( 2.275 -0.955 -4.047) 4.739 3.182 ( 2.446 -1.168 -1.088) 2.921 3.231 ( 1.582 -2.373 1.952) 3.456 3.471 ( -1.507 -2.266 5.690) 6.308 3.632 ( -0.091 -0.980 -0.780) 1.256 3.763 ( 1.537 -0.970 6.566) 6.813 3.799 ( -6.991 -1.719 -5.102) 8.824 3.878 ( -0.850 2.774 6.911) 7.495 3.947 ( -7.758 -4.057 -0.755) 8.787 4.143 ( 3.010 7.858 -3.876) 9.264 4.164 ( 1.427 -1.855 -6.635) 7.036 4.261 ( 8.250 5.712 -3.908) 10.768 4.373 ( 9.923 4.661 0.919) 11.001 4.508 ( -5.997 4.616 3.205) 8.219 4.669 ( -1.289 0.721 -1.552) 2.143 4.740 ( -3.137 6.026 10.305) 12.343 4.912 ( -1.375 0.534 3.644) 3.931 4.931 ( -2.558 2.164 -2.687) 4.295 5.110 ( 2.549 4.437 -3.754) 6.346 5.164 ( -1.513 2.703 -0.853) 3.213 5.224 ( -1.203 1.678 -4.374) 4.836 5.348 ( 2.806 3.654 -3.055) 5.528 5.447 ( 7.394 -4.560 2.207) 8.963 5.634 ( -8.586 -2.765 5.217) 10.420 5.818 ( -6.937 1.198 1.716) 7.246 6.109 ( 2.020 5.556 -5.632) 8.165 6.182 ( 9.889 -2.252 -6.087) 11.829 6.351 ( -0.082 1.141 0.751) 1.369 6.477 ( 3.618 5.004 1.280) 6.306 6.641 ( -0.526 -7.233 -0.041) 7.252 6.751 ( 7.550 -3.474 -2.716) 8.744 6.901 ( -8.462 -1.395 -2.037) 8.815 7.101 ( 2.083 -5.001 3.276) 6.331 7.228 ( -2.054 -7.906 7.480) 11.076 7.461 ( -0.465 -4.358 -6.055) 7.475 8.239 ( 0.802 3.636 7.296) 8.191 8.376 ( -1.590 -3.762 -6.202) 7.426 8.732 ( -2.201 -2.802 -2.588) 4.404 8.846 ( 3.219 -0.585 -0.414) 3.297 9.021 ( -4.823 -5.689 -1.908) 7.698 9.122 ( 4.582 -6.084 3.254) 8.282 9.488 ( -5.526 -0.182 -1.927) 5.855 9.634 ( 4.189 -2.812 3.535) 6.160 10.239 ( -4.837 2.542 0.636) 5.501 10.342 ( -1.087 -0.230 3.856) 4.013 10.698 ( 2.487 0.007 -1.130) 2.731 10.765 ( 2.931 0.098 -3.382) 4.477 11.639 ( -0.527 1.299 3.981) 4.220 11.720 ( -0.576 1.326 -4.724) 4.940 11.969 ( 1.585 0.070 4.658) 4.921 12.027 ( 0.310 0.106 -3.874) 3.888 13.525 ( -1.141 3.724 -0.192) 3.900 13.562 ( 1.213 0.294 0.282) 1.279 13.877 ( -1.036 1.776 0.440) 2.102 13.961 ( 2.043 -4.165 -2.232) 5.148 15.904 ( 0.199 0.277 0.649) 0.733 15.929 ( 0.399 -0.516 -1.457) 1.596 16.224 ( -1.449 1.510 2.434) 3.210 16.299 ( 0.918 0.176 -0.399) 1.017 16.656 ( -3.318 -1.024 -0.707) 3.543 16.676 ( 0.789 -0.170 2.136) 2.283 16.830 ( 1.498 0.853 -2.363) 2.925 16.867 ( 2.424 0.178 -2.097) 3.210 17.275 ( -2.436 0.178 4.823) 5.406 17.335 ( -1.524 -0.408 0.712) 1.731 17.621 ( -0.684 1.266 -1.067) 1.792 17.642 ( 1.065 1.431 0.301) 1.809 27.702 ( 0.322 0.172 1.543) 1.585 27.718 ( -0.430 -0.780 -0.995) 1.335 27.786 ( 0.391 1.032 2.847) 3.053 27.840 ( 0.015 0.757 -3.088) 3.180 28.817 ( -4.505 -1.060 -2.969) 5.498 28.935 ( 5.630 -2.112 1.710) 6.251 29.084 ( 1.139 -3.772 5.401) 6.685 29.182 ( -0.265 -3.463 -8.361) 9.054 29.543 ( -2.265 -1.635 8.877) 9.307 29.786 ( 1.656 -1.127 -7.400) 7.666 30.010 ( -6.022 1.142 12.157) 13.615 30.435 ( 3.094 2.318 -14.842) 15.337 30.904 ( -1.501 1.668 7.049) 7.397 31.138 ( 5.957 2.206 -1.676) 6.569 31.444 ( -9.672 2.839 -4.736) 11.137 31.713 ( 7.280 0.934 4.025) 8.371 ======================= Grid point 206 (101/140) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 9.446 -0.000 -9.229) 13.206 1.367 ( 10.399 -0.000 -7.785) 12.990 1.491 ( -8.828 0.000 -10.675) 13.853 1.862 ( -5.375 0.000 2.035) 5.747 1.965 ( 4.274 -0.000 4.723) 6.369 1.992 ( -3.134 0.000 -0.557) 3.183 2.087 ( -1.603 0.000 -4.626) 4.896 2.148 ( 4.623 -0.000 1.605) 4.894 2.257 ( 5.241 -0.000 -0.346) 5.253 2.350 ( 3.072 -0.000 -4.230) 5.228 2.574 ( -2.390 0.000 0.775) 2.512 2.587 ( -1.861 0.000 0.434) 1.911 2.672 ( 2.370 -0.000 3.941) 4.599 2.761 ( -11.559 0.000 3.047) 11.954 2.865 ( -2.913 0.000 -0.036) 2.913 3.054 ( -0.626 0.000 -2.087) 2.179 3.313 ( 2.707 -0.000 -8.914) 9.316 3.317 ( 2.280 -0.000 3.198) 3.928 3.532 ( -2.396 0.000 7.796) 8.156 3.594 ( -2.076 0.000 1.109) 2.354 3.631 ( -8.488 0.000 1.430) 8.607 3.814 ( 5.312 -0.000 -2.763) 5.988 3.844 ( -3.295 0.000 -1.200) 3.506 3.923 ( -3.673 0.000 -1.940) 4.154 4.011 ( 9.003 -0.000 6.598) 11.162 4.203 ( -7.405 0.000 4.445) 8.637 4.427 ( -8.277 0.000 2.279) 8.585 4.551 ( 11.312 -0.000 -12.974) 17.213 4.674 ( 7.376 -0.000 -7.895) 10.805 4.913 ( -10.668 0.000 11.103) 15.397 4.962 ( 1.155 -0.000 4.311) 4.463 5.037 ( 2.829 -0.000 -0.046) 2.829 5.065 ( 1.152 -0.000 6.504) 6.606 5.181 ( 4.094 -0.000 -15.238) 15.779 5.248 ( 2.210 -0.000 -1.897) 2.913 5.461 ( 4.188 -0.000 -0.025) 4.188 5.726 ( -4.864 0.000 0.452) 4.885 5.882 ( -2.346 0.000 -7.302) 7.670 6.307 ( 4.231 -0.000 -0.619) 4.276 6.372 ( -8.670 0.000 0.631) 8.693 6.650 ( 5.581 -0.000 3.262) 6.464 6.870 ( 4.166 -0.000 2.484) 4.850 6.946 ( 7.238 -0.000 -0.329) 7.245 6.988 ( -2.806 0.000 -4.581) 5.372 7.057 ( -7.391 0.000 2.490) 7.800 7.248 ( -8.112 0.000 -5.495) 9.798 7.455 ( 2.793 -0.000 0.068) 2.794 7.633 ( -4.015 0.000 -0.758) 4.086 8.288 ( 7.044 -0.000 8.611) 11.125 8.532 ( 3.503 -0.000 12.222) 12.714 8.621 ( -1.331 0.000 -1.444) 1.964 9.303 ( -4.660 0.000 2.910) 5.494 9.421 ( -4.150 0.000 -10.729) 11.504 9.446 ( 4.283 -0.000 -3.022) 5.242 9.857 ( 0.748 -0.000 3.381) 3.463 9.965 ( -0.570 0.000 0.125) 0.584 10.300 ( -2.676 0.000 3.641) 4.519 10.438 ( 4.449 -0.000 -2.492) 5.099 10.513 ( -1.486 0.000 3.527) 3.827 10.663 ( 2.252 -0.000 -3.316) 4.009 11.616 ( -0.953 0.000 4.571) 4.669 11.747 ( 2.449 -0.000 1.252) 2.750 12.002 ( 2.737 -0.000 -4.265) 5.068 12.096 ( -2.076 0.000 -2.749) 3.445 13.120 ( -1.646 0.000 2.936) 3.366 13.379 ( 1.145 -0.000 -8.137) 8.217 13.986 ( -2.969 0.000 8.160) 8.684 14.259 ( 2.968 -0.000 -5.191) 5.980 15.952 ( 1.133 -0.000 2.409) 2.663 16.139 ( 2.882 -0.000 -4.364) 5.230 16.319 ( -0.108 0.000 0.704) 0.712 16.339 ( 1.397 -0.000 -0.584) 1.514 16.576 ( -0.077 0.000 -0.201) 0.215 16.589 ( -0.646 0.000 -0.477) 0.803 16.722 ( -1.517 0.000 2.691) 3.089 16.816 ( 0.305 -0.000 -1.102) 1.144 17.331 ( -1.293 0.000 1.001) 1.635 17.372 ( 0.352 -0.000 -1.251) 1.300 17.392 ( -3.657 0.000 8.101) 8.888 17.538 ( 1.942 -0.000 1.176) 2.270 27.592 ( 0.878 -0.000 -2.710) 2.849 27.632 ( -1.920 0.000 -2.584) 3.219 27.829 ( 1.247 -0.000 2.299) 2.616 27.836 ( -0.591 0.000 2.812) 2.873 29.113 ( -0.246 0.000 -12.283) 12.285 29.162 ( -0.725 0.000 -1.189) 1.393 29.219 ( 0.796 -0.000 -1.192) 1.433 29.231 ( -4.918 0.000 -10.174) 11.300 29.343 ( 0.631 -0.000 1.911) 2.013 29.546 ( -0.935 0.000 -4.813) 4.903 29.902 ( -1.791 0.000 4.588) 4.925 29.977 ( 2.079 -0.000 2.281) 3.086 30.867 ( -5.253 0.000 19.683) 20.372 31.162 ( 12.566 -0.000 1.875) 12.705 31.678 ( -9.599 0.000 8.185) 12.615 32.131 ( 8.717 -0.000 -12.771) 15.462 ======================= Grid point 207 (102/140) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 2.198 -8.774 -4.140) 9.947 1.484 ( -1.741 -14.563 -3.816) 15.155 1.534 ( 11.366 -9.296 -4.237) 15.282 1.799 ( -14.239 -3.523 -3.389) 15.055 1.973 ( -1.256 -4.558 -4.288) 6.383 2.013 ( -0.225 -1.118 -1.343) 1.762 2.155 ( 2.641 -5.079 5.164) 7.710 2.183 ( 3.037 1.549 2.598) 4.287 2.295 ( 2.896 -1.570 0.127) 3.296 2.409 ( 0.312 -2.089 -3.657) 4.223 2.503 ( 1.300 -0.352 -5.214) 5.385 2.509 ( -6.517 3.095 -1.621) 7.395 2.759 ( 2.578 -2.485 7.673) 8.467 2.815 ( -3.413 -8.471 3.089) 9.641 2.913 ( -3.141 -9.022 -1.808) 9.723 3.036 ( 1.149 -1.792 -1.465) 2.584 3.316 ( 0.638 -0.730 -3.874) 3.993 3.380 ( -2.188 -5.744 -3.041) 6.858 3.529 ( -3.960 -0.718 9.592) 10.402 3.584 ( -5.301 -2.122 0.774) 5.762 3.659 ( -6.499 -6.010 3.933) 9.686 3.803 ( -1.458 0.898 -0.521) 1.790 3.878 ( 7.351 -2.910 -3.007) 8.459 3.906 ( 0.488 -1.026 -3.528) 3.707 4.097 ( 3.216 0.124 6.226) 7.008 4.276 ( 3.292 -7.493 4.124) 9.164 4.340 ( -3.765 2.697 1.813) 4.973 4.591 ( 4.777 -2.437 -9.990) 11.338 4.692 ( 5.043 0.590 -4.989) 7.118 4.851 ( -9.388 0.621 3.802) 10.148 4.998 ( -0.894 1.427 0.720) 1.832 5.032 ( 2.167 3.323 -0.620) 4.015 5.046 ( 0.692 0.656 -2.342) 2.528 5.155 ( 3.634 0.617 -4.365) 5.713 5.263 ( 4.768 1.478 3.840) 6.298 5.503 ( 1.787 -0.011 0.620) 1.891 5.618 ( -1.521 5.496 -0.499) 5.725 5.885 ( -0.949 -5.219 -8.707) 10.196 6.246 ( -5.576 4.847 5.018) 8.932 6.377 ( 0.037 -2.525 -3.650) 4.438 6.736 ( 5.482 -2.312 3.283) 6.795 6.887 ( -1.726 1.228 -0.980) 2.334 6.898 ( -4.784 4.625 1.476) 6.816 6.937 ( -3.833 3.092 -0.999) 5.025 7.028 ( 6.686 3.355 1.522) 7.634 7.140 ( -4.518 2.538 -6.134) 8.030 7.442 ( 2.515 5.252 3.123) 6.607 7.582 ( -3.576 2.008 -2.164) 4.637 8.408 ( 6.907 -1.103 7.168) 10.015 8.569 ( -1.971 2.363 -2.016) 3.678 8.637 ( 6.023 -0.034 13.732) 14.995 9.204 ( -9.789 3.021 -9.829) 14.197 9.262 ( -2.335 11.171 0.775) 11.439 9.414 ( 4.550 6.033 -3.340) 8.262 9.829 ( 2.229 6.333 2.473) 7.155 9.891 ( -1.089 7.231 -0.435) 7.326 10.318 ( -1.594 -1.811 4.254) 4.890 10.474 ( 0.300 -1.485 -2.329) 2.778 10.553 ( 1.477 -3.266 2.413) 4.321 10.685 ( 2.365 -1.946 -3.172) 4.410 11.631 ( -0.832 -0.080 4.907) 4.977 11.778 ( 1.583 -0.990 0.595) 1.960 11.993 ( 2.166 1.413 -2.829) 3.833 12.067 ( -2.117 -0.532 -3.549) 4.166 13.159 ( -1.138 -4.211 2.917) 5.247 13.363 ( 1.428 -1.844 -7.538) 7.891 13.989 ( -3.073 1.424 7.566) 8.290 14.232 ( 2.491 2.763 -5.137) 6.343 15.959 ( 1.023 1.605 2.625) 3.243 16.102 ( 1.383 3.587 -4.423) 5.860 16.307 ( -0.699 0.933 0.733) 1.377 16.340 ( 0.216 0.598 -0.623) 0.890 16.581 ( 2.014 -0.308 0.072) 2.039 16.596 ( -1.653 -1.392 -0.772) 2.295 16.744 ( -1.614 -2.181 1.982) 3.360 16.816 ( 1.212 -0.317 -1.221) 1.750 17.309 ( 0.304 1.547 1.516) 2.188 17.343 ( -3.210 1.197 1.919) 3.927 17.464 ( -0.552 -4.822 4.586) 6.677 17.582 ( 0.943 -2.570 0.718) 2.830 27.600 ( 0.876 -1.346 -1.908) 2.494 27.614 ( -1.850 -1.168 -2.255) 3.142 27.837 ( 0.180 0.682 2.228) 2.337 27.852 ( 0.584 -0.233 1.721) 1.833 28.987 ( 0.868 8.791 0.606) 8.854 29.075 ( -0.427 1.918 -7.822) 8.065 29.143 ( -3.242 1.240 -8.194) 8.899 29.168 ( -0.570 5.188 -5.534) 7.607 29.515 ( 2.279 -12.789 0.814) 13.016 29.570 ( -2.686 -4.501 -1.921) 5.582 29.912 ( -2.763 -0.392 5.324) 6.011 30.016 ( 3.091 -2.156 0.608) 3.818 30.935 ( -5.330 -2.431 17.434) 18.391 31.264 ( 12.140 0.542 0.515) 12.163 31.624 ( -11.326 1.027 7.368) 13.551 32.072 ( 8.016 7.525 -12.477) 16.630 ======================= Grid point 208 (103/140) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -6.276 -10.275 -0.943) 12.077 1.722 ( 2.753 -11.084 -4.529) 12.286 1.778 ( -15.620 -10.891 -3.585) 19.376 1.802 ( 10.099 -10.157 6.529) 15.741 2.017 ( 0.354 -1.475 0.446) 1.581 2.058 ( -0.268 -4.235 -3.839) 5.723 2.130 ( -5.135 1.808 0.271) 5.450 2.273 ( 1.511 -3.710 4.415) 5.961 2.328 ( 0.089 3.633 -3.778) 5.242 2.386 ( 1.400 -1.466 2.209) 2.998 2.444 ( 4.880 -2.539 -0.349) 5.512 2.577 ( 2.123 -2.409 -7.854) 8.485 2.855 ( 0.795 -3.971 4.076) 5.746 2.940 ( -1.151 -7.411 -0.006) 7.499 3.042 ( 0.044 -9.225 3.168) 9.754 3.200 ( -2.807 -15.653 -1.273) 15.954 3.245 ( -2.557 3.930 -0.110) 4.689 3.458 ( -0.965 -4.513 -4.281) 6.295 3.587 ( -4.380 -4.707 1.173) 6.536 3.629 ( -6.372 -6.931 6.581) 11.487 3.683 ( -5.100 -2.291 3.228) 6.455 3.788 ( -1.531 -1.617 -1.147) 2.505 3.925 ( 1.580 -3.048 -3.406) 4.836 4.046 ( 9.599 -9.801 -3.325) 14.116 4.158 ( -2.108 -3.704 1.043) 4.388 4.281 ( 3.393 0.371 0.823) 3.511 4.493 ( 3.169 -6.511 7.100) 10.141 4.600 ( 0.445 -0.191 -1.993) 2.051 4.707 ( 1.340 -3.223 -2.562) 4.329 4.815 ( -3.726 -2.818 -2.231) 5.177 4.856 ( -2.667 6.295 -6.322) 9.312 5.023 ( 4.992 2.795 3.228) 6.568 5.104 ( 1.154 -4.635 -0.326) 4.788 5.149 ( 0.809 -0.090 -3.030) 3.138 5.319 ( 6.555 -0.336 3.735) 7.552 5.421 ( -2.652 4.835 -4.387) 7.047 5.612 ( 0.523 0.691 7.659) 7.708 5.938 ( 3.379 -5.608 -11.354) 13.107 6.135 ( -7.258 5.952 7.559) 12.052 6.382 ( 2.153 1.248 -3.838) 4.574 6.731 ( -4.370 7.819 3.146) 9.493 6.784 ( -5.998 7.716 -3.321) 10.322 6.802 ( -4.005 -2.159 0.802) 4.620 6.885 ( 3.888 5.876 0.339) 7.054 7.014 ( 5.231 5.527 0.972) 7.672 7.084 ( 4.045 -1.275 -3.482) 5.487 7.353 ( -0.528 8.999 5.991) 10.824 7.485 ( -3.150 4.272 -3.891) 6.582 8.403 ( -6.988 3.328 1.271) 7.844 8.577 ( 10.104 1.110 -0.248) 10.168 8.751 ( 7.671 1.054 12.011) 14.291 8.972 ( -5.196 9.056 -9.138) 13.875 9.088 ( -5.921 7.313 3.306) 9.974 9.296 ( 4.018 9.804 -4.028) 11.335 9.727 ( 1.458 8.743 1.500) 8.990 9.746 ( -0.314 7.401 -1.311) 7.523 10.347 ( -2.852 -0.639 4.162) 5.086 10.455 ( -3.269 1.333 -1.092) 3.695 10.636 ( 3.840 -2.522 0.954) 4.692 10.721 ( 2.393 -1.803 -3.455) 4.573 11.655 ( -0.278 -0.157 5.382) 5.392 11.794 ( -0.111 -0.317 -2.641) 2.662 11.971 ( 1.005 1.746 1.087) 2.289 12.045 ( -1.229 -0.564 -4.161) 4.375 13.263 ( -0.522 -7.283 2.219) 7.632 13.396 ( 1.711 -4.525 -5.842) 7.585 13.965 ( -2.961 2.552 6.263) 7.383 14.161 ( 2.043 4.884 -4.647) 7.045 15.947 ( 0.845 1.960 2.185) 3.055 16.019 ( -0.306 3.888 -3.670) 5.355 16.286 ( -1.655 0.967 0.987) 2.156 16.323 ( -0.003 0.865 -0.681) 1.101 16.597 ( -2.087 -1.369 -0.495) 2.545 16.615 ( 1.920 -1.188 0.634) 2.345 16.772 ( -1.689 -2.245 0.091) 2.811 16.840 ( 3.042 -0.909 -1.058) 3.347 17.301 ( -1.257 1.062 2.651) 3.120 17.316 ( -1.650 -0.133 1.182) 2.034 17.562 ( 0.801 -3.979 3.859) 5.601 17.626 ( -0.114 -2.051 -0.370) 2.087 27.616 ( -1.629 -2.243 -1.353) 3.085 27.633 ( 0.882 -2.214 -0.888) 2.543 27.834 ( 0.108 0.974 1.839) 2.084 27.864 ( 0.806 0.124 0.355) 0.889 28.895 ( 2.853 5.527 4.775) 7.841 29.003 ( -3.372 2.486 -7.956) 8.991 29.029 ( 0.638 3.786 -2.680) 4.682 29.107 ( -0.356 -1.017 -8.176) 8.247 29.572 ( -5.478 -0.585 1.622) 5.743 29.719 ( 4.988 -6.136 -2.107) 8.184 29.925 ( -6.013 -2.823 6.398) 9.222 30.128 ( 6.116 -6.821 -0.398) 9.170 31.020 ( -5.004 -3.344 11.333) 12.832 31.325 ( 9.757 3.591 -0.236) 10.399 31.543 ( -10.925 0.841 4.149) 11.716 31.912 ( 5.704 10.606 -9.104) 15.097 ======================= Grid point 209 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -10.154 -8.109 0.620) 13.010 1.794 ( -14.141 -4.694 0.628) 14.913 1.872 ( 0.233 -6.383 -1.296) 6.517 1.954 ( -5.477 -4.579 -2.406) 7.533 2.024 ( -0.983 -1.153 2.909) 3.280 2.079 ( 2.965 -2.046 1.455) 3.885 2.157 ( 4.934 2.110 -0.017) 5.366 2.324 ( 2.326 -3.034 -3.644) 5.281 2.353 ( 6.343 -2.691 5.591) 8.873 2.438 ( 3.822 0.836 0.564) 3.953 2.521 ( 3.002 -1.965 1.366) 3.839 2.597 ( 3.349 -4.059 -3.531) 6.337 2.933 ( -2.182 -3.684 0.481) 4.309 3.039 ( 3.254 -4.179 -3.692) 6.456 3.136 ( -4.760 0.313 5.745) 7.467 3.224 ( -1.980 -4.588 3.613) 6.166 3.427 ( 3.436 -2.919 -0.774) 4.575 3.436 ( -1.895 -5.685 -6.654) 8.955 3.622 ( -5.581 -4.739 -0.444) 7.335 3.717 ( -4.305 -6.465 0.742) 7.803 3.731 ( -4.190 -5.401 2.162) 7.170 3.863 ( -0.566 -5.711 5.768) 8.137 3.998 ( 0.462 -5.890 -2.133) 6.281 4.199 ( -1.093 -5.529 -3.113) 6.438 4.218 ( 4.871 -5.195 -3.711) 8.030 4.406 ( 5.331 -7.619 -1.643) 9.443 4.571 ( -0.276 1.365 6.447) 6.596 4.601 ( -1.605 0.848 3.357) 3.816 4.736 ( -0.451 -0.856 -1.593) 1.863 4.817 ( -1.821 -6.602 -0.835) 6.900 4.883 ( 1.762 -6.963 -1.525) 7.343 5.065 ( 5.253 -0.947 1.740) 5.614 5.120 ( -0.497 0.256 -2.879) 2.933 5.203 ( -1.614 -5.542 -3.350) 6.674 5.339 ( 3.678 1.800 -1.495) 4.359 5.403 ( 6.330 -1.506 1.794) 6.749 5.617 ( -5.141 0.537 6.423) 8.245 5.935 ( -5.070 3.573 -5.556) 8.327 6.082 ( 3.412 -1.743 2.790) 4.740 6.323 ( 2.350 5.215 -5.292) 7.793 6.555 ( -5.954 10.572 -3.023) 12.504 6.608 ( -2.482 5.650 4.636) 7.719 6.760 ( 2.595 9.401 -2.429) 10.050 6.812 ( -4.562 -2.759 -2.208) 5.771 6.940 ( 5.425 8.633 0.770) 10.225 7.157 ( 7.536 0.986 -0.238) 7.604 7.211 ( -4.679 8.296 7.339) 12.024 7.385 ( -1.755 1.622 -2.675) 3.587 8.288 ( -8.382 2.138 -0.327) 8.657 8.569 ( 6.766 8.748 -3.529) 11.609 8.786 ( 5.658 7.234 9.977) 13.560 8.848 ( 1.133 -0.271 -7.170) 7.264 8.983 ( -2.915 1.388 3.353) 4.655 9.143 ( 2.802 8.600 -2.366) 9.350 9.588 ( -2.710 6.209 -2.166) 7.112 9.662 ( 3.182 4.693 2.231) 6.093 10.323 ( -5.048 1.754 1.489) 5.548 10.386 ( -4.143 2.619 2.459) 5.483 10.692 ( 2.830 -0.622 -0.972) 3.056 10.751 ( 3.486 -1.199 -2.977) 4.738 11.676 ( -0.389 0.681 5.212) 5.270 11.760 ( -1.192 1.033 -4.924) 5.171 11.974 ( 0.591 0.299 4.020) 4.074 12.022 ( -0.850 -0.315 -4.561) 4.650 13.400 ( 0.123 -7.922 1.735) 8.110 13.471 ( 1.164 -5.462 -3.901) 6.812 13.924 ( -2.292 2.612 4.155) 5.417 14.064 ( 1.698 5.952 -3.819) 7.273 15.931 ( -0.189 1.397 0.566) 1.519 15.952 ( 0.130 2.063 -1.499) 2.554 16.263 ( -1.872 0.801 1.746) 2.682 16.307 ( -0.149 0.560 -0.614) 0.844 16.602 ( -2.473 -1.772 -0.711) 3.124 16.655 ( 1.355 -1.041 2.047) 2.666 16.796 ( -0.484 -2.222 -1.980) 3.015 16.872 ( 3.542 -0.232 -1.140) 3.729 17.279 ( -3.598 -0.005 1.399) 3.860 17.328 ( 0.532 0.037 2.837) 2.887 17.627 ( 0.021 -1.202 0.936) 1.524 17.649 ( 0.710 -1.130 0.340) 1.377 27.643 ( -1.248 -2.772 -0.261) 3.051 27.675 ( 0.711 -2.047 -0.067) 2.168 27.826 ( 0.241 1.086 1.659) 1.998 27.863 ( 0.968 0.616 -0.976) 1.506 28.854 ( -2.565 3.382 -2.559) 4.956 28.921 ( 4.253 1.461 0.532) 4.529 29.011 ( -0.146 -0.636 1.457) 1.597 29.097 ( 0.920 -1.640 -6.830) 7.084 29.536 ( -4.968 0.765 4.897) 7.017 29.769 ( 2.082 0.115 -4.154) 4.648 29.979 ( -5.012 -3.854 7.306) 9.662 30.308 ( 7.768 -7.922 -3.264) 11.565 31.029 ( -6.440 1.573 1.778) 6.863 31.283 ( 5.616 7.691 1.693) 9.672 31.482 ( -8.676 -1.149 -2.187) 9.021 31.786 ( 5.416 5.526 -0.368) 7.747 ======================= Grid point 210 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -11.608 -0.789 2.304) 11.860 1.798 ( -0.831 -2.068 1.520) 2.698 1.920 ( -9.594 -5.553 -3.924) 11.759 1.985 ( -0.595 -4.451 -3.529) 5.712 1.999 ( -0.479 3.351 0.949) 3.516 2.142 ( 5.838 1.610 2.071) 6.400 2.176 ( 2.321 1.905 1.590) 3.397 2.273 ( -1.737 0.562 -0.812) 1.998 2.458 ( 2.434 2.529 4.433) 5.654 2.483 ( 0.140 -1.289 4.111) 4.311 2.629 ( 5.481 -4.354 3.540) 7.844 2.686 ( 4.895 -4.283 -3.849) 7.558 2.918 ( -3.412 1.300 -0.640) 3.707 3.099 ( 2.968 -1.258 -3.697) 4.905 3.164 ( 1.205 -2.391 3.679) 4.550 3.231 ( 0.192 0.388 -0.854) 0.958 3.427 ( -3.390 -2.133 3.728) 5.472 3.572 ( 3.168 -6.484 -2.080) 7.511 3.653 ( -7.250 -5.505 -3.281) 9.676 3.762 ( 2.322 -2.488 0.564) 3.450 3.804 ( -6.748 -4.877 2.762) 8.772 3.955 ( 0.569 -0.631 7.410) 7.458 4.076 ( 0.239 -4.873 -5.210) 7.138 4.256 ( 3.754 2.699 -3.212) 5.630 4.323 ( 3.157 -6.488 -1.400) 7.350 4.466 ( -2.915 -1.059 -3.912) 4.992 4.545 ( 5.646 4.033 1.283) 7.056 4.626 ( -1.180 -1.609 6.446) 6.748 4.792 ( -0.884 -1.857 3.489) 4.051 4.893 ( -1.927 -3.442 3.157) 5.052 4.952 ( 0.027 1.219 -2.271) 2.578 5.114 ( -5.223 -3.256 -1.307) 6.292 5.143 ( 6.565 -3.790 -1.647) 7.758 5.223 ( -0.936 0.211 -2.960) 3.111 5.366 ( 3.076 0.466 -2.444) 3.956 5.491 ( 5.503 -2.362 2.073) 6.337 5.583 ( -5.090 1.465 1.903) 5.628 5.783 ( -9.794 3.474 0.487) 10.403 6.187 ( 8.443 -3.084 -1.942) 9.196 6.214 ( 2.285 5.735 -6.508) 8.970 6.374 ( -3.168 4.611 0.431) 5.611 6.565 ( -0.471 -0.304 2.848) 2.903 6.617 ( 3.580 8.404 -1.742) 9.299 6.781 ( -9.706 -0.484 -2.175) 9.958 6.861 ( 10.529 5.974 -3.341) 12.558 7.080 ( -3.278 2.593 1.975) 4.623 7.192 ( 0.697 0.244 6.219) 6.263 7.396 ( 0.150 -2.625 -0.575) 2.691 8.227 ( -6.291 -2.582 -0.162) 6.803 8.430 ( 3.216 9.200 -0.518) 9.759 8.724 ( -0.417 5.610 -4.877) 7.446 8.849 ( 4.295 -1.504 -1.740) 4.872 8.966 ( -2.043 2.064 1.295) 3.180 9.120 ( 5.269 -1.668 4.726) 7.271 9.470 ( -3.003 3.474 -2.859) 5.410 9.657 ( 2.247 0.592 3.405) 4.123 10.243 ( -4.564 2.258 -0.156) 5.095 10.348 ( -3.231 0.691 5.010) 6.001 10.696 ( 0.907 0.010 -4.179) 4.276 10.785 ( 3.816 -0.241 -1.168) 3.998 11.674 ( -1.557 1.151 3.147) 3.695 11.714 ( -0.387 1.151 -2.520) 2.797 11.998 ( -0.559 -0.977 -4.500) 4.639 12.002 ( 0.859 0.210 3.417) 3.530 13.523 ( 0.170 -4.182 1.218) 4.359 13.535 ( 0.197 -3.316 -1.390) 3.601 13.896 ( -0.651 0.631 0.933) 1.301 13.966 ( 1.134 4.599 -2.519) 5.365 15.908 ( -0.678 0.302 -0.915) 1.178 15.936 ( 1.189 0.930 0.569) 1.613 16.246 ( -1.383 0.942 2.360) 2.893 16.300 ( 0.022 -0.115 -0.520) 0.533 16.606 ( -2.436 -1.458 -0.738) 2.933 16.688 ( 0.564 -0.633 2.563) 2.700 16.816 ( 0.788 -1.345 -3.202) 3.561 16.891 ( 3.058 0.440 -1.241) 3.329 17.260 ( -3.484 -0.374 0.985) 3.640 17.343 ( -0.061 0.386 3.787) 3.807 17.623 ( -0.567 0.345 -1.442) 1.587 17.670 ( 1.168 0.438 1.204) 1.734 27.680 ( -0.758 -2.407 0.355) 2.548 27.705 ( 0.228 -0.993 0.261) 1.052 27.820 ( 0.397 0.907 1.447) 1.753 27.849 ( 1.000 1.323 -1.397) 2.168 28.761 ( -4.299 1.290 -4.672) 6.479 28.974 ( 5.326 -0.471 2.972) 6.117 29.054 ( 0.746 -3.304 0.341) 3.405 29.106 ( 1.321 -1.536 -2.269) 3.042 29.541 ( -2.021 -1.251 7.994) 8.340 29.750 ( -0.350 -0.275 -5.049) 5.069 30.021 ( -4.243 -0.929 8.456) 9.507 30.405 ( 3.160 -0.518 -13.278) 13.658 30.957 ( -2.089 0.924 6.486) 6.876 31.224 ( 5.037 4.773 -0.819) 6.988 31.379 ( -9.505 1.983 -6.419) 11.639 31.803 ( 5.585 0.832 4.811) 7.418 ======================= Grid point 216 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -13.585 0.000 -5.054) 14.494 1.390 ( 8.410 -0.000 -4.781) 9.674 1.576 ( -20.673 0.000 -10.349) 23.118 1.601 ( 16.447 -0.000 5.501) 17.342 1.935 ( 2.229 -0.000 -0.494) 2.283 2.019 ( 1.240 -0.000 -1.867) 2.241 2.133 ( 0.776 -0.000 2.892) 2.994 2.207 ( -4.976 0.000 0.619) 5.015 2.286 ( -3.023 0.000 -0.916) 3.159 2.313 ( 2.515 -0.000 -8.266) 8.640 2.502 ( 3.305 -0.000 0.758) 3.391 2.607 ( 5.157 -0.000 -0.951) 5.244 2.684 ( -16.606 0.000 -2.034) 16.731 2.718 ( -2.281 0.000 6.266) 6.669 2.813 ( 4.276 -0.000 6.775) 8.012 3.070 ( 5.036 -0.000 -3.221) 5.978 3.274 ( -0.408 0.000 -2.676) 2.707 3.334 ( 0.062 -0.000 -2.177) 2.178 3.496 ( -9.196 0.000 1.004) 9.251 3.540 ( -6.795 0.000 5.480) 8.729 3.607 ( -0.986 0.000 10.121) 10.168 3.802 ( -2.172 0.000 1.596) 2.696 3.873 ( 2.939 -0.000 -2.552) 3.893 3.889 ( 4.091 -0.000 -5.531) 6.880 4.132 ( -4.382 0.000 2.202) 4.905 4.319 ( 15.923 -0.000 11.178) 19.455 4.338 ( -4.151 0.000 0.374) 4.168 4.559 ( 7.032 -0.000 -13.790) 15.479 4.722 ( 4.437 -0.000 -1.970) 4.855 4.772 ( -12.178 0.000 -1.122) 12.230 5.004 ( -0.703 0.000 4.299) 4.356 5.011 ( -2.480 0.000 -8.990) 9.326 5.118 ( 5.447 -0.000 1.989) 5.799 5.172 ( 3.367 -0.000 -4.683) 5.767 5.345 ( 3.791 -0.000 7.086) 8.036 5.551 ( 5.726 -0.000 2.258) 6.155 5.649 ( -2.216 0.000 -0.033) 2.216 5.755 ( -0.468 0.000 -13.397) 13.405 6.240 ( -9.197 0.000 3.157) 9.723 6.343 ( 0.563 -0.000 0.516) 0.764 6.779 ( 4.264 -0.000 4.138) 5.942 6.873 ( -2.068 0.000 -2.167) 2.995 6.891 ( -7.327 0.000 1.368) 7.454 6.914 ( -5.585 0.000 -1.583) 5.805 7.127 ( 7.597 -0.000 1.909) 7.834 7.130 ( 1.685 -0.000 -3.101) 3.529 7.525 ( 2.322 -0.000 3.434) 4.146 7.554 ( -4.052 0.000 -3.020) 5.054 8.507 ( 9.197 -0.000 6.152) 11.065 8.534 ( -5.447 0.000 -4.347) 6.968 8.772 ( 7.377 -0.000 17.864) 19.328 9.080 ( -12.030 0.000 -13.375) 17.989 9.350 ( -1.593 0.000 1.017) 1.890 9.487 ( 4.287 -0.000 -3.163) 5.328 9.915 ( 2.233 -0.000 2.436) 3.304 9.954 ( -0.056 0.000 -1.092) 1.093 10.305 ( -1.823 0.000 3.937) 4.339 10.466 ( 2.819 -0.000 -3.354) 4.381 10.525 ( -1.248 0.000 3.076) 3.320 10.673 ( 3.194 -0.000 -3.673) 4.867 11.645 ( -1.392 0.000 5.055) 5.243 11.781 ( 1.328 -0.000 -1.063) 1.701 12.017 ( 2.943 -0.000 -1.522) 3.313 12.018 ( -3.344 0.000 -3.837) 5.090 13.134 ( -0.837 0.000 4.077) 4.162 13.322 ( 1.721 -0.000 -7.656) 7.847 14.012 ( -3.572 0.000 7.680) 8.470 14.248 ( 2.235 -0.000 -5.514) 5.950 15.995 ( 0.542 -0.000 3.006) 3.054 16.122 ( 1.251 -0.000 -6.002) 6.131 16.306 ( -2.165 0.000 0.605) 2.248 16.345 ( -0.189 0.000 -0.400) 0.442 16.578 ( 0.120 -0.000 -0.547) 0.560 16.592 ( 1.973 -0.000 -0.379) 2.009 16.726 ( -1.187 0.000 2.895) 3.129 16.813 ( 0.938 -0.000 -1.469) 1.743 17.320 ( -1.447 0.000 1.305) 1.949 17.372 ( 1.053 -0.000 -1.062) 1.496 17.414 ( -3.753 0.000 8.668) 9.446 17.571 ( 1.507 -0.000 -0.349) 1.547 27.577 ( -1.975 0.000 -1.934) 2.764 27.589 ( 1.213 -0.000 -1.163) 1.681 27.851 ( -0.318 0.000 1.733) 1.762 27.867 ( 1.279 -0.000 1.306) 1.828 29.017 ( -0.273 0.000 -6.145) 6.151 29.048 ( -3.278 0.000 -7.972) 8.620 29.178 ( -0.224 0.000 0.618) 0.657 29.221 ( 1.061 -0.000 -1.578) 1.901 29.380 ( 0.722 -0.000 3.253) 3.332 29.476 ( -1.868 0.000 -4.666) 5.026 29.919 ( -1.574 0.000 4.267) 4.548 30.018 ( 1.815 -0.000 -0.106) 1.818 30.944 ( -6.857 0.000 14.803) 16.314 31.350 ( 10.292 -0.000 -5.087) 11.481 31.594 ( -11.027 0.000 12.691) 16.812 32.147 ( 9.367 -0.000 -13.011) 16.032 ======================= Grid point 217 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -11.320 -16.946 -1.267) 20.418 1.400 ( -20.511 -8.773 -12.015) 25.338 1.560 ( 5.591 -10.212 -1.288) 11.713 1.814 ( 13.475 -5.741 9.528) 17.473 1.975 ( 0.641 -2.344 -1.266) 2.740 2.006 ( -0.938 -0.107 0.196) 0.964 2.116 ( -7.339 2.094 -1.922) 7.871 2.191 ( -0.243 -4.740 -0.162) 4.749 2.293 ( -3.911 -6.969 0.757) 8.027 2.366 ( 6.723 -3.307 -5.206) 9.123 2.513 ( -5.182 3.194 2.674) 6.648 2.529 ( 3.670 2.397 -2.909) 5.260 2.697 ( -6.500 -11.458 1.030) 13.214 2.858 ( -0.219 -2.534 5.598) 6.148 2.894 ( 2.508 -9.292 3.672) 10.301 3.098 ( 6.992 -0.055 -2.127) 7.309 3.272 ( -1.925 2.012 -3.718) 4.645 3.329 ( -1.287 -5.663 -0.014) 5.808 3.496 ( -7.764 -3.525 7.443) 11.318 3.526 ( -3.605 -3.057 2.604) 5.397 3.652 ( -2.592 -0.929 6.144) 6.733 3.768 ( -3.847 1.765 1.816) 4.606 3.893 ( 2.722 -1.689 -2.989) 4.381 3.945 ( 2.818 -5.536 -4.627) 7.745 4.130 ( 1.928 -0.953 -0.103) 2.154 4.302 ( -1.169 0.640 -0.579) 1.453 4.506 ( 8.548 -2.387 3.560) 9.563 4.569 ( 6.326 -1.265 -4.412) 7.816 4.682 ( -6.580 -1.949 -4.567) 8.244 4.741 ( 1.167 0.324 1.552) 1.969 4.897 ( -3.376 4.815 -7.787) 9.758 5.034 ( -0.769 -2.129 1.256) 2.588 5.130 ( 2.812 2.784 0.719) 4.022 5.173 ( 3.646 0.816 -2.300) 4.387 5.395 ( 4.138 0.608 4.294) 5.994 5.493 ( 2.668 7.370 -0.736) 7.872 5.658 ( 0.256 1.147 2.088) 2.396 5.805 ( 5.064 -7.939 -8.702) 12.822 6.170 ( -7.867 2.415 4.937) 9.597 6.371 ( -0.008 -2.320 0.320) 2.342 6.725 ( -9.470 3.473 1.516) 10.200 6.814 ( -6.872 2.812 1.481) 7.571 6.836 ( -3.249 4.152 -3.135) 6.133 6.945 ( 4.997 -4.277 2.354) 6.986 7.102 ( 4.346 3.778 -2.661) 6.344 7.175 ( 8.690 3.598 2.546) 9.744 7.468 ( -3.987 4.284 -2.737) 6.461 7.529 ( 0.514 3.393 3.730) 5.068 8.413 ( -6.816 4.453 -2.438) 8.499 8.636 ( 8.589 -2.811 0.473) 9.049 8.885 ( -2.013 2.477 1.375) 3.475 8.931 ( -0.265 0.447 2.087) 2.150 9.254 ( -1.981 9.740 2.874) 10.347 9.448 ( 3.759 6.298 -4.186) 8.445 9.872 ( -0.023 8.220 -1.269) 8.317 9.888 ( 2.489 6.269 1.405) 6.890 10.322 ( -2.712 -1.241 3.102) 4.303 10.450 ( -0.922 1.041 -0.878) 1.644 10.596 ( 1.990 -5.372 0.351) 5.739 10.695 ( 3.079 -1.518 -3.960) 5.241 11.666 ( -1.237 -0.901 4.993) 5.222 11.779 ( 0.309 0.150 -3.217) 3.235 11.976 ( -3.159 -0.390 -2.982) 4.362 12.031 ( 2.230 0.708 -0.050) 2.340 13.180 ( -0.637 -3.645 4.047) 5.484 13.323 ( 2.393 -2.503 -6.633) 7.482 14.005 ( -3.861 1.551 7.111) 8.239 14.215 ( 1.970 2.604 -5.422) 6.330 15.995 ( 0.004 1.744 2.409) 2.974 16.063 ( -0.040 3.639 -5.642) 6.713 16.285 ( -2.636 0.487 0.693) 2.769 16.333 ( -0.701 0.615 -0.440) 1.031 16.572 ( -0.129 0.302 -0.694) 0.767 16.617 ( 2.104 -1.044 0.092) 2.351 16.737 ( -1.400 -0.737 1.893) 2.467 16.834 ( 2.344 -1.807 -1.099) 3.157 17.304 ( -3.012 1.562 1.400) 3.671 17.337 ( 0.208 1.322 2.311) 2.670 17.506 ( -0.050 -5.826 4.942) 7.640 17.592 ( 0.686 -1.595 -1.323) 2.183 27.566 ( -1.793 -1.369 -1.032) 2.481 27.609 ( 1.336 -1.415 -0.303) 1.970 27.852 ( -0.206 0.429 0.987) 1.095 27.880 ( 1.318 0.283 0.483) 1.432 28.971 ( -2.206 1.816 -2.398) 3.731 29.009 ( -0.976 -0.400 -4.011) 4.148 29.073 ( 0.869 7.810 1.564) 8.012 29.144 ( 1.902 6.138 -3.098) 7.134 29.480 ( -4.445 -5.376 -0.959) 7.041 29.585 ( 3.098 -12.778 0.899) 13.179 29.903 ( -3.707 1.863 3.623) 5.508 30.071 ( 3.846 -4.568 -1.001) 6.055 30.971 ( -7.345 -2.538 9.908) 12.592 31.378 ( 2.512 -1.483 -8.952) 9.415 31.562 ( -4.610 4.469 13.624) 15.061 32.083 ( 7.792 8.467 -11.318) 16.140 ======================= Grid point 218 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -17.286 -13.570 -6.397) 22.888 1.485 ( -13.384 -14.313 0.979) 19.620 1.749 ( 1.246 -7.963 1.111) 8.136 1.927 ( -5.962 -0.761 -1.528) 6.202 1.988 ( 1.607 -2.685 0.678) 3.201 2.062 ( 3.189 -1.447 2.816) 4.494 2.163 ( 7.899 -6.745 0.732) 10.413 2.272 ( 0.280 -4.175 -1.405) 4.414 2.392 ( 0.012 -2.042 7.509) 7.781 2.448 ( 3.455 -3.250 -0.263) 4.751 2.507 ( -0.774 -5.246 0.439) 5.321 2.531 ( 3.265 -3.313 -5.491) 7.197 2.840 ( -4.049 -8.095 -1.012) 9.108 2.930 ( 1.166 -5.830 4.424) 7.411 3.089 ( 2.640 -6.367 2.356) 7.284 3.160 ( -3.641 -4.171 4.939) 7.419 3.256 ( 2.536 -5.231 -2.710) 6.414 3.427 ( 1.640 -3.771 -1.828) 4.501 3.498 ( -9.778 -2.437 8.964) 13.487 3.602 ( -3.349 -3.523 3.148) 5.791 3.655 ( -1.157 -2.356 -1.701) 3.128 3.780 ( -0.894 -5.677 4.848) 7.519 3.935 ( 4.415 -1.697 -4.814) 6.749 4.015 ( -5.000 -6.515 -5.667) 9.978 4.202 ( 7.215 -3.837 -3.769) 8.999 4.324 ( -0.122 -4.165 1.304) 4.366 4.551 ( -3.170 -4.715 -2.377) 6.159 4.621 ( 1.599 -1.138 3.010) 3.593 4.713 ( 0.524 0.077 -4.017) 4.051 4.759 ( 0.444 0.373 2.290) 2.362 4.799 ( 2.036 -2.207 -0.172) 3.008 5.075 ( 0.652 -2.382 -0.433) 2.508 5.103 ( -1.634 0.128 -3.177) 3.575 5.179 ( 4.626 1.643 -0.490) 4.934 5.405 ( 4.937 2.606 -1.540) 5.791 5.464 ( 5.628 1.838 5.080) 7.801 5.619 ( -1.607 1.830 -2.784) 3.699 5.896 ( 0.485 -1.075 -5.574) 5.697 6.110 ( -2.179 0.853 6.105) 6.538 6.386 ( 1.134 2.077 -2.044) 3.127 6.612 ( -8.876 1.618 1.484) 9.143 6.659 ( -8.392 7.499 -2.432) 11.514 6.753 ( -3.961 1.220 1.358) 4.362 6.924 ( 2.115 8.561 -0.984) 8.873 7.149 ( 5.303 4.634 1.928) 7.302 7.187 ( 10.857 -1.475 1.146) 11.016 7.328 ( -3.203 7.200 -2.621) 8.305 7.464 ( -0.526 7.223 5.952) 9.374 8.269 ( -8.392 4.041 -1.555) 9.443 8.695 ( 3.473 3.013 -5.292) 7.010 8.796 ( 1.550 -1.961 -8.716) 9.068 9.004 ( 7.323 3.576 10.980) 13.674 9.075 ( -2.514 10.907 5.713) 12.567 9.312 ( 2.837 9.901 -4.320) 11.169 9.701 ( -0.703 10.152 -1.925) 10.356 9.796 ( 2.685 7.158 1.434) 7.779 10.308 ( -4.727 0.786 0.607) 4.830 10.411 ( -3.183 2.261 3.293) 5.107 10.682 ( 2.052 -2.016 -2.416) 3.757 10.733 ( 3.257 -2.732 -2.861) 5.124 11.691 ( -1.745 -0.495 2.402) 3.010 11.752 ( -0.165 0.915 -1.955) 2.165 11.954 ( -2.563 -1.417 -3.264) 4.386 12.027 ( 0.734 1.464 1.779) 2.418 13.281 ( -0.358 -6.967 2.835) 7.530 13.377 ( 2.505 -4.803 -4.905) 7.307 13.971 ( -3.682 2.671 5.857) 7.416 14.145 ( 1.799 4.535 -4.889) 6.907 15.954 ( -1.379 2.774 -1.631) 3.501 15.991 ( 0.374 2.279 -0.390) 2.342 16.261 ( -2.679 0.259 1.287) 2.984 16.313 ( -0.709 0.722 -0.389) 1.085 16.566 ( -0.362 -0.374 -0.761) 0.922 16.654 ( 1.128 -1.285 1.341) 2.173 16.750 ( -0.868 -1.685 -0.134) 1.900 16.881 ( 3.170 -1.361 -1.231) 3.663 17.259 ( -3.703 0.848 1.457) 4.068 17.348 ( 0.506 -0.082 2.933) 2.978 17.599 ( -0.019 -2.145 -0.652) 2.241 17.630 ( 1.475 -3.017 1.637) 3.736 27.585 ( -1.388 -2.725 0.120) 3.061 27.649 ( 1.254 -1.979 0.356) 2.370 27.844 ( -0.124 0.601 0.148) 0.632 27.883 ( 1.424 0.667 -0.234) 1.589 28.878 ( -3.091 5.086 -3.814) 7.069 28.984 ( -1.634 -0.999 -2.616) 3.242 29.019 ( 4.749 4.023 3.873) 7.331 29.101 ( 3.698 1.113 1.009) 3.992 29.508 ( -4.751 -2.443 3.018) 6.136 29.764 ( 2.601 -1.923 -3.060) 4.453 29.886 ( -4.426 -5.208 4.857) 8.385 30.213 ( 5.920 -8.071 -2.758) 10.382 30.981 ( -7.737 -1.420 2.313) 8.199 31.358 ( -4.165 -2.146 -8.767) 9.941 31.493 ( 0.689 8.738 9.063) 12.608 31.932 ( 4.302 8.501 -4.458) 10.519 ======================= Grid point 219 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -13.846 -12.203 -1.405) 18.509 1.562 ( -13.530 -10.733 1.519) 17.337 1.856 ( -2.058 -5.515 1.329) 6.035 1.908 ( 1.795 1.184 -2.057) 2.976 2.034 ( -0.142 0.025 0.181) 0.231 2.130 ( 0.743 -5.442 1.022) 5.587 2.242 ( 3.020 1.181 0.715) 3.321 2.304 ( 1.460 2.082 -3.311) 4.175 2.478 ( 0.698 -1.234 3.921) 4.169 2.502 ( 3.035 -3.918 -0.157) 4.958 2.613 ( 5.356 -4.263 2.052) 7.146 2.650 ( 4.336 -4.779 2.933) 7.088 2.894 ( -1.639 -1.462 -0.070) 2.198 3.075 ( 5.357 -5.198 -1.581) 7.630 3.163 ( -2.223 -2.579 9.401) 9.999 3.205 ( -3.095 -1.256 0.453) 3.371 3.375 ( 0.088 -4.974 -1.216) 5.121 3.492 ( 0.915 -2.620 0.766) 2.879 3.508 ( -7.333 -5.350 5.163) 10.443 3.650 ( -4.075 -7.764 0.534) 8.785 3.743 ( 4.404 -4.470 -0.803) 6.327 3.930 ( 2.027 -6.636 5.511) 8.861 3.975 ( 0.091 -4.066 -5.306) 6.685 4.088 ( -3.649 -11.874 -4.577) 13.239 4.280 ( 6.032 -1.531 -6.579) 9.056 4.412 ( -3.225 -4.274 2.540) 5.926 4.592 ( -0.613 -2.298 -0.769) 2.499 4.656 ( -0.343 -0.517 7.951) 7.975 4.756 ( 3.036 -6.237 -3.059) 7.581 4.809 ( 0.329 -4.177 4.511) 6.157 4.874 ( -0.477 -4.356 -1.555) 4.650 5.036 ( -4.399 0.744 -3.370) 5.591 5.158 ( 4.274 -3.105 -1.983) 5.643 5.183 ( 2.329 -0.474 -1.428) 2.773 5.404 ( 0.564 2.965 0.496) 3.059 5.504 ( 6.540 -1.076 -0.490) 6.646 5.587 ( 1.870 0.688 -1.988) 2.815 5.785 ( -9.228 5.407 -0.046) 10.695 6.178 ( 4.893 -3.564 -0.811) 6.108 6.283 ( 0.706 7.049 -7.986) 10.675 6.454 ( -5.516 6.622 1.539) 8.755 6.569 ( -7.775 -0.513 4.536) 9.016 6.719 ( -3.058 1.617 -0.595) 3.510 6.790 ( 3.949 8.542 -2.051) 9.632 7.061 ( 6.367 9.931 -0.733) 11.820 7.152 ( -4.555 7.889 -0.001) 9.110 7.299 ( 7.513 3.101 4.323) 9.206 7.371 ( -2.221 2.716 4.020) 5.336 8.155 ( -7.404 0.869 0.121) 7.456 8.597 ( 3.311 7.527 -5.150) 9.703 8.794 ( 3.877 3.411 -9.284) 10.623 8.938 ( 2.555 7.357 6.576) 10.193 9.016 ( 1.310 4.415 1.004) 4.714 9.194 ( 3.618 3.857 2.605) 5.895 9.530 ( -1.303 7.663 -2.686) 8.224 9.726 ( 1.274 4.347 2.534) 5.190 10.241 ( -4.292 1.932 -0.360) 4.720 10.368 ( -4.094 1.977 5.977) 7.510 10.680 ( 0.446 0.178 -4.765) 4.789 10.792 ( 3.088 -1.727 -1.435) 3.818 11.667 ( -2.763 0.438 -2.024) 3.453 11.742 ( 0.014 1.268 3.520) 3.741 11.943 ( -1.569 -1.601 -5.228) 5.688 12.025 ( -0.010 0.319 3.072) 3.089 13.420 ( 0.122 -8.093 1.731) 8.277 13.460 ( 1.689 -5.021 -2.905) 6.042 13.923 ( -2.665 2.555 3.782) 5.285 14.051 ( 1.539 5.617 -4.038) 7.087 15.907 ( -0.577 0.870 -1.161) 1.561 15.967 ( 0.537 1.414 0.412) 1.568 16.249 ( -2.223 -0.214 2.107) 3.070 16.297 ( -0.508 0.356 -0.448) 0.765 16.572 ( -0.297 -0.841 -0.539) 1.042 16.687 ( 0.012 -1.093 2.058) 2.330 16.778 ( 0.535 -2.182 -1.647) 2.786 16.910 ( 2.792 -0.163 -1.802) 3.327 17.233 ( -3.388 -0.072 1.568) 3.734 17.367 ( 0.070 0.125 3.371) 3.374 17.608 ( -0.286 -0.717 -2.144) 2.279 17.684 ( 1.238 -0.791 1.191) 1.891 27.628 ( -1.014 -3.126 0.856) 3.396 27.689 ( 0.715 -1.487 0.625) 1.764 27.833 ( -0.012 0.522 -0.881) 1.024 27.879 ( 1.430 1.056 -0.153) 1.784 28.756 ( -2.723 4.033 -3.480) 5.982 28.994 ( -0.514 -1.999 -2.188) 3.008 29.028 ( 4.331 0.831 1.300) 4.597 29.137 ( 4.034 0.822 5.207) 6.638 29.545 ( -0.878 -2.102 8.195) 8.506 29.720 ( -3.510 1.293 -3.478) 5.108 29.993 ( -0.071 -4.276 4.122) 5.940 30.341 ( 3.446 -3.585 -9.786) 10.977 30.937 ( -5.806 -1.639 1.672) 6.260 31.293 ( -6.348 -0.252 -8.189) 10.364 31.385 ( 2.352 9.258 4.044) 10.373 31.873 ( 2.679 1.731 1.875) 3.700 ======================= Grid point 226 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -14.436 0.000 1.001) 14.471 1.086 ( -23.407 0.000 -11.451) 26.058 1.520 ( 8.273 -0.000 0.009) 8.273 1.885 ( 0.734 -0.000 3.698) 3.770 1.970 ( -2.266 0.000 2.561) 3.420 1.996 ( 2.478 -0.000 1.187) 2.748 2.096 ( 5.664 -0.000 -3.632) 6.728 2.120 ( -18.015 0.000 5.566) 18.855 2.158 ( -0.766 0.000 -0.428) 0.877 2.369 ( 9.061 -0.000 -6.755) 11.302 2.388 ( -16.097 0.000 0.463) 16.103 2.624 ( 7.683 -0.000 1.167) 7.771 2.675 ( 2.859 -0.000 -0.383) 2.884 2.766 ( -2.434 0.000 9.794) 10.092 2.900 ( 2.015 -0.000 1.273) 2.384 3.160 ( 10.026 -0.000 -2.771) 10.402 3.258 ( -0.133 0.000 -0.419) 0.439 3.299 ( -0.953 0.000 -1.745) 1.989 3.392 ( -5.273 0.000 3.670) 6.424 3.543 ( 0.455 -0.000 7.048) 7.062 3.654 ( -3.388 0.000 7.260) 8.012 3.764 ( -8.714 0.000 6.702) 10.993 3.860 ( -0.600 0.000 -4.269) 4.311 3.907 ( 4.514 -0.000 -4.863) 6.635 4.144 ( 4.055 -0.000 -0.894) 4.153 4.281 ( -2.036 0.000 -4.446) 4.890 4.504 ( 1.464 -0.000 -7.319) 7.464 4.572 ( -7.592 0.000 -1.953) 7.840 4.668 ( 14.900 -0.000 0.890) 14.927 4.778 ( 0.572 -0.000 7.101) 7.124 4.864 ( -5.391 0.000 -8.588) 10.140 5.026 ( 0.052 -0.000 2.273) 2.274 5.135 ( -1.513 0.000 -5.693) 5.891 5.212 ( 2.722 -0.000 0.545) 2.776 5.440 ( 3.912 -0.000 0.933) 4.022 5.629 ( 7.338 -0.000 -18.406) 19.815 5.692 ( 3.527 -0.000 7.695) 8.465 5.728 ( 5.652 -0.000 8.746) 10.413 6.155 ( -5.881 0.000 3.731) 6.964 6.337 ( -2.597 0.000 1.582) 3.041 6.709 ( -12.489 0.000 3.255) 12.906 6.743 ( -11.669 0.000 1.651) 11.786 6.857 ( 2.843 -0.000 -7.498) 8.018 6.933 ( 3.676 -0.000 2.838) 4.644 7.198 ( 6.405 -0.000 1.440) 6.564 7.274 ( 7.346 -0.000 3.222) 8.021 7.452 ( -3.325 0.000 -3.942) 5.157 7.587 ( 0.385 -0.000 5.725) 5.738 8.387 ( -6.010 0.000 -5.595) 8.211 8.661 ( 5.745 -0.000 -0.322) 5.754 8.773 ( -9.229 0.000 -12.051) 15.179 9.068 ( 6.226 -0.000 17.952) 19.001 9.338 ( -0.980 0.000 0.763) 1.242 9.504 ( 2.128 -0.000 -4.807) 5.258 9.948 ( 1.283 -0.000 -1.957) 2.340 9.966 ( 1.708 -0.000 1.211) 2.094 10.308 ( -1.780 0.000 2.257) 2.875 10.473 ( 3.034 -0.000 -4.010) 5.028 10.531 ( -1.478 0.000 2.776) 3.145 10.688 ( 3.653 -0.000 -4.789) 6.023 11.664 ( -2.053 0.000 4.128) 4.610 11.766 ( 0.282 -0.000 -4.241) 4.251 11.926 ( -3.768 0.000 -2.807) 4.699 12.064 ( 2.599 -0.000 1.269) 2.892 13.171 ( -0.511 0.000 5.492) 5.516 13.291 ( 3.144 -0.000 -6.507) 7.227 14.020 ( -4.516 0.000 7.247) 8.539 14.225 ( 1.934 -0.000 -5.751) 6.068 16.019 ( -0.851 0.000 2.263) 2.417 16.062 ( -0.418 0.000 -7.542) 7.554 16.270 ( -3.088 0.000 0.992) 3.243 16.324 ( -1.691 0.000 -0.542) 1.776 16.586 ( 1.211 -0.000 -0.019) 1.211 16.619 ( 2.061 -0.000 -0.852) 2.230 16.746 ( -0.097 0.000 3.244) 3.246 16.818 ( 1.621 -0.000 -1.802) 2.424 17.315 ( -1.036 0.000 2.206) 2.437 17.382 ( 1.444 -0.000 -0.982) 1.746 17.441 ( -2.865 0.000 7.608) 8.130 17.576 ( 0.773 -0.000 -2.376) 2.499 27.537 ( -1.642 0.000 -0.314) 1.672 27.608 ( 1.388 -0.000 0.552) 1.494 27.856 ( -0.254 0.000 0.059) 0.260 27.894 ( 1.324 -0.000 -0.155) 1.333 28.959 ( -1.927 0.000 -1.489) 2.435 29.000 ( 0.357 -0.000 3.973) 3.988 29.183 ( -0.022 0.000 0.629) 0.630 29.223 ( 1.147 -0.000 -1.506) 1.892 29.404 ( -1.948 0.000 -3.403) 3.921 29.424 ( 0.257 -0.000 4.081) 4.089 29.932 ( -1.435 0.000 3.011) 3.336 30.034 ( 1.582 -0.000 -2.014) 2.562 30.926 ( -8.449 0.000 6.644) 10.748 31.307 ( -4.519 0.000 -7.808) 9.021 31.659 ( 1.531 -0.000 11.065) 11.171 32.167 ( 8.605 -0.000 -13.930) 16.374 ======================= Grid point 227 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -20.677 -11.234 -6.017) 24.289 1.103 ( -12.013 -21.135 6.016) 25.044 1.658 ( 5.380 -6.821 1.371) 8.795 1.813 ( -8.636 -1.565 -2.746) 9.196 1.964 ( -8.396 -1.923 0.741) 8.645 2.065 ( 1.434 -7.493 3.133) 8.247 2.116 ( 2.245 0.427 0.937) 2.470 2.171 ( -12.092 -10.944 8.054) 18.190 2.226 ( 5.369 -4.885 2.830) 7.791 2.353 ( -6.249 -6.780 -2.080) 9.453 2.443 ( 8.758 -3.791 -6.501) 11.547 2.560 ( 2.219 6.748 -0.681) 7.136 2.738 ( 2.825 -4.555 2.738) 6.019 2.864 ( -2.691 -4.996 1.880) 5.978 3.016 ( 6.597 -8.082 4.818) 11.492 3.194 ( -0.239 1.090 -5.859) 5.965 3.202 ( 5.861 3.446 2.162) 7.134 3.351 ( 2.196 -5.401 2.501) 6.344 3.481 ( -2.145 -7.041 5.568) 9.229 3.550 ( -2.819 4.130 11.576) 12.609 3.649 ( -1.865 1.504 1.012) 2.601 3.728 ( -3.876 -1.661 4.951) 6.503 3.859 ( -4.418 -3.862 -3.710) 6.943 3.939 ( 5.947 -1.152 -5.618) 8.262 4.176 ( 2.157 -2.199 -3.434) 4.613 4.262 ( -0.834 -2.556 -3.299) 4.256 4.468 ( -3.719 -0.421 -3.255) 4.960 4.561 ( 0.179 -2.888 0.011) 2.894 4.738 ( -2.607 2.295 -3.585) 4.992 4.774 ( -0.713 -1.257 0.231) 1.464 4.829 ( 5.907 0.920 4.949) 7.761 5.054 ( 2.877 -1.074 1.041) 3.243 5.080 ( -2.592 0.908 -5.070) 5.766 5.211 ( -0.164 0.643 -2.399) 2.489 5.470 ( 5.928 0.826 -1.288) 6.122 5.596 ( 9.641 2.375 -6.847) 12.061 5.649 ( 1.946 6.595 0.925) 6.938 5.881 ( 2.967 -1.851 3.473) 4.928 6.121 ( -3.580 0.393 3.569) 5.070 6.361 ( -2.345 -3.645 0.774) 4.403 6.572 ( -11.766 3.220 2.777) 12.511 6.685 ( -8.981 -0.138 0.801) 9.018 6.754 ( -2.698 6.863 -6.025) 9.523 7.013 ( -1.180 -1.480 2.588) 3.207 7.182 ( 6.044 4.042 0.409) 7.283 7.361 ( 9.361 0.623 1.072) 9.443 7.385 ( -0.119 5.023 -0.621) 5.062 7.601 ( 2.028 3.472 8.848) 9.719 8.272 ( -5.715 4.616 -3.111) 7.978 8.664 ( -4.024 -0.576 -8.251) 9.198 8.734 ( 3.943 -4.594 -5.628) 8.266 9.161 ( 3.234 3.433 12.954) 13.786 9.263 ( 0.618 7.882 2.550) 8.307 9.439 ( 1.137 5.818 -5.672) 8.205 9.867 ( 1.235 9.254 -1.680) 9.486 9.932 ( 1.746 5.596 0.506) 5.884 10.291 ( -2.782 1.036 -0.084) 2.970 10.443 ( -0.337 2.013 1.785) 2.711 10.621 ( 1.662 -6.128 -1.286) 6.479 10.701 ( 3.075 -1.252 -4.696) 5.751 11.668 ( -2.551 -0.445 0.686) 2.679 11.750 ( 0.129 -0.533 -2.288) 2.352 11.895 ( -3.098 -0.913 -1.884) 3.739 12.071 ( 0.670 1.819 1.786) 2.636 13.213 ( -0.913 -2.671 4.915) 5.668 13.312 ( 3.621 -2.749 -5.535) 7.163 14.004 ( -4.747 1.560 6.727) 8.380 14.192 ( 1.980 2.410 -5.566) 6.380 15.981 ( -1.757 3.110 -3.824) 5.233 16.016 ( -0.910 1.053 -0.341) 1.433 16.247 ( -3.100 0.283 1.264) 3.360 16.309 ( -1.534 -0.067 -0.535) 1.626 16.579 ( 1.534 1.480 -0.439) 2.176 16.645 ( 1.191 -1.284 0.293) 1.776 16.738 ( -0.706 0.897 1.758) 2.096 16.862 ( 2.456 -2.883 -1.640) 4.127 17.279 ( -2.174 3.615 2.403) 4.855 17.361 ( -0.200 0.211 2.351) 2.369 17.548 ( 0.885 -4.987 0.619) 5.103 17.587 ( 1.008 -3.057 -1.019) 3.377 27.539 ( -1.294 -1.648 0.784) 2.237 27.635 ( 1.424 -1.328 1.092) 2.233 27.848 ( -0.339 0.350 -0.948) 1.066 27.899 ( 1.283 0.251 -0.862) 1.566 28.949 ( -0.158 1.056 2.360) 2.591 28.963 ( -1.943 6.050 1.692) 6.576 29.157 ( 2.963 6.774 2.235) 7.724 29.170 ( 4.675 1.079 4.351) 6.477 29.403 ( -4.254 -6.134 0.276) 7.470 29.641 ( 2.870 -14.079 0.726) 14.387 29.868 ( -3.791 4.623 1.761) 6.233 30.114 ( 3.520 -6.974 -2.339) 8.155 30.896 ( -8.555 -1.662 1.570) 8.855 31.243 ( -6.176 -1.686 -6.813) 9.349 31.673 ( 2.420 5.810 6.978) 9.397 32.071 ( 3.330 8.321 -12.038) 15.008 ======================= Grid point 228 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -13.153 -17.866 0.470) 22.191 1.311 ( -15.041 -11.284 9.329) 20.991 1.759 ( -1.728 -4.760 1.108) 5.184 1.878 ( 2.630 -6.364 -4.788) 8.387 1.983 ( -1.913 -4.497 0.191) 4.891 2.094 ( -0.640 0.505 0.678) 1.060 2.256 ( 1.051 -7.858 -0.694) 7.959 2.276 ( 0.072 -2.167 3.470) 4.092 2.358 ( -9.808 -10.848 4.253) 15.231 2.445 ( 0.326 -6.676 0.921) 6.747 2.550 ( 5.692 -6.531 -0.666) 8.689 2.603 ( 6.195 -7.144 -2.178) 9.704 2.823 ( 2.391 -3.809 -0.547) 4.530 3.001 ( 0.252 -9.855 5.538) 11.307 3.128 ( -1.433 -3.099 -0.765) 3.499 3.185 ( 1.967 4.055 3.113) 5.478 3.284 ( 5.432 -7.771 2.599) 9.831 3.445 ( -4.417 0.462 5.536) 7.097 3.486 ( -3.430 -0.517 8.220) 8.922 3.585 ( 0.399 1.974 0.804) 2.169 3.650 ( 1.125 -9.278 2.557) 9.690 3.846 ( 1.974 -8.120 0.317) 8.363 3.869 ( -2.878 -4.368 -2.981) 6.020 3.967 ( 4.921 -0.469 -4.594) 6.748 4.225 ( 1.572 -4.458 -5.898) 7.559 4.325 ( 0.065 -5.879 0.255) 5.885 4.477 ( -3.488 -5.615 -0.650) 6.643 4.638 ( -3.506 0.101 -0.176) 3.512 4.662 ( -0.190 -4.963 4.319) 6.582 4.812 ( -2.102 -1.251 6.458) 6.906 4.873 ( 5.048 0.468 -1.966) 5.437 5.005 ( -3.122 1.536 -6.131) 7.050 5.126 ( 5.263 -2.374 -0.945) 5.851 5.177 ( -1.165 0.116 -4.089) 4.253 5.482 ( 2.318 4.316 -0.285) 4.907 5.562 ( 5.122 2.856 -0.722) 5.909 5.628 ( 9.932 0.785 -6.074) 11.669 5.819 ( -7.327 6.401 1.953) 9.923 6.145 ( 1.012 -2.432 -1.673) 3.120 6.357 ( -2.317 3.623 -4.416) 6.164 6.468 ( -10.577 1.699 0.985) 10.758 6.540 ( -3.947 4.689 0.744) 6.174 6.689 ( -4.742 -2.678 0.889) 5.518 6.941 ( -0.201 7.000 0.256) 7.008 7.188 ( -1.244 2.348 0.615) 2.727 7.282 ( 2.373 8.824 2.503) 9.474 7.378 ( 5.130 3.407 -1.262) 6.286 7.578 ( 7.519 10.056 9.588) 15.798 8.146 ( -4.656 3.982 0.398) 6.139 8.640 ( 2.156 -0.585 -6.467) 6.842 8.794 ( 2.483 -2.542 -9.282) 9.939 9.092 ( -0.104 8.818 5.152) 10.214 9.194 ( 4.684 7.503 5.296) 10.310 9.306 ( 1.393 7.050 -2.799) 7.712 9.680 ( 0.220 11.876 -1.788) 12.012 9.840 ( 1.193 6.760 0.799) 6.911 10.237 ( -3.279 1.657 -0.825) 3.766 10.407 ( -3.688 2.962 5.996) 7.637 10.661 ( 0.296 -0.351 -4.369) 4.393 10.760 ( 2.891 -3.729 -2.332) 5.264 11.639 ( -2.862 0.280 -1.917) 3.456 11.763 ( -0.273 -0.703 1.275) 1.481 11.882 ( -1.996 -1.050 -2.458) 3.336 12.045 ( -1.459 1.262 2.299) 3.001 13.302 ( -0.678 -6.617 2.938) 7.272 13.380 ( 3.233 -4.694 -3.938) 6.927 13.962 ( -4.308 2.550 5.528) 7.458 14.127 ( 2.026 4.279 -4.957) 6.855 15.916 ( -0.568 1.451 -1.550) 2.198 15.990 ( -0.680 1.280 0.052) 1.451 16.230 ( -2.826 -0.447 1.563) 3.261 16.296 ( -0.950 0.203 -0.358) 1.036 16.572 ( 1.629 0.507 -0.433) 1.760 16.675 ( -0.055 -1.203 1.491) 1.917 16.744 ( 0.013 -1.397 0.157) 1.406 16.908 ( 2.247 -1.446 -2.353) 3.560 17.228 ( -2.790 1.512 3.020) 4.381 17.377 ( -0.373 -0.510 2.646) 2.720 17.577 ( 0.269 -1.479 -2.924) 3.288 17.670 ( 1.482 -2.783 -0.078) 3.154 27.575 ( -0.938 -2.884 1.566) 3.413 27.676 ( 1.081 -1.476 1.196) 2.186 27.832 ( -0.379 0.392 -1.858) 1.936 27.898 ( 1.161 0.421 -1.187) 1.713 28.825 ( -0.974 7.335 -0.003) 7.400 28.968 ( 0.779 -0.595 1.252) 1.590 29.098 ( 2.354 3.463 1.808) 4.561 29.227 ( 4.832 2.004 5.882) 7.872 29.514 ( 0.107 -6.532 8.447) 10.679 29.722 ( -2.805 4.194 -2.776) 5.759 29.909 ( 2.644 -8.940 1.710) 9.478 30.250 ( 3.902 -6.284 -5.790) 9.393 30.850 ( -8.222 -1.585 -1.191) 8.458 31.190 ( -5.848 -1.665 -6.891) 9.190 31.580 ( 1.399 9.469 3.683) 10.256 31.919 ( -1.852 3.821 -4.440) 6.144 ======================= Grid point 236 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -18.149 0.000 8.760) 20.152 0.797 ( -13.730 0.000 11.161) 17.694 1.648 ( 6.467 -0.000 0.724) 6.508 1.732 ( -6.846 0.000 -5.357) 8.693 1.748 ( -31.097 0.000 15.847) 34.902 2.013 ( 0.984 -0.000 0.234) 1.012 2.086 ( -2.505 0.000 2.312) 3.409 2.148 ( -1.241 0.000 0.277) 1.271 2.217 ( -3.411 0.000 -0.898) 3.528 2.271 ( 9.228 -0.000 1.672) 9.378 2.437 ( 8.842 -0.000 -9.289) 12.825 2.682 ( -3.050 0.000 -1.870) 3.578 2.685 ( 1.385 -0.000 -5.030) 5.217 2.800 ( -1.371 0.000 8.378) 8.489 2.998 ( 8.779 -0.000 3.178) 9.337 3.236 ( 3.827 -0.000 -4.118) 5.622 3.301 ( 1.953 -0.000 0.801) 2.111 3.320 ( 4.566 -0.000 4.632) 6.504 3.430 ( 1.247 -0.000 9.181) 9.265 3.666 ( -0.781 0.000 2.418) 2.541 3.677 ( 6.907 -0.000 5.140) 8.610 3.698 ( -7.894 0.000 11.928) 14.304 3.779 ( -4.215 0.000 -1.753) 4.565 3.943 ( 5.250 -0.000 -4.203) 6.725 4.105 ( -3.709 0.000 -7.578) 8.437 4.236 ( 0.438 -0.000 2.430) 2.469 4.416 ( -5.819 0.000 -3.607) 6.847 4.561 ( -2.688 0.000 7.732) 8.186 4.691 ( -1.195 0.000 -9.191) 9.268 4.751 ( -1.879 0.000 0.520) 1.950 4.901 ( 4.260 -0.000 0.948) 4.364 5.038 ( -2.979 0.000 -5.872) 6.584 5.097 ( 6.496 -0.000 3.702) 7.477 5.190 ( -1.876 0.000 -3.468) 3.943 5.517 ( 6.402 -0.000 -1.995) 6.706 5.627 ( 12.229 -0.000 -14.782) 19.185 5.792 ( 0.268 -0.000 2.546) 2.560 5.916 ( 5.396 -0.000 8.413) 9.995 6.103 ( -4.985 0.000 1.641) 5.248 6.289 ( -5.068 0.000 0.719) 5.119 6.525 ( -12.865 0.000 1.579) 12.961 6.579 ( -10.351 0.000 1.273) 10.428 6.806 ( -0.376 0.000 -9.345) 9.353 6.958 ( -3.898 0.000 1.727) 4.263 7.334 ( 0.807 -0.000 -1.849) 2.017 7.335 ( 7.480 -0.000 1.041) 7.552 7.485 ( 5.161 -0.000 5.341) 7.428 7.703 ( 6.433 -0.000 12.318) 13.897 8.289 ( -0.385 0.000 -0.129) 0.406 8.590 ( -2.359 0.000 -5.743) 6.208 8.662 ( -1.135 0.000 -6.819) 6.912 9.266 ( -0.407 0.000 10.286) 10.294 9.338 ( 0.413 -0.000 0.157) 0.441 9.460 ( -0.405 0.000 -5.494) 5.509 9.960 ( 2.307 -0.000 -1.549) 2.779 9.990 ( 0.510 -0.000 0.069) 0.514 10.293 ( -1.174 0.000 -0.278) 1.206 10.493 ( 4.389 -0.000 -4.832) 6.527 10.536 ( -1.415 0.000 3.230) 3.527 10.694 ( 3.528 -0.000 -5.302) 6.368 11.649 ( -3.054 0.000 0.822) 3.163 11.720 ( -0.011 0.000 -4.996) 4.996 11.863 ( -2.537 0.000 1.241) 2.824 12.099 ( -0.308 0.000 0.467) 0.559 13.215 ( -1.374 0.000 5.703) 5.866 13.294 ( 4.433 -0.000 -5.542) 7.097 14.010 ( -5.404 0.000 6.901) 8.765 14.202 ( 2.294 -0.000 -5.780) 6.219 15.969 ( -2.234 0.000 -5.824) 6.238 16.014 ( -1.786 0.000 1.318) 2.219 16.233 ( -3.083 0.000 1.746) 3.543 16.288 ( -1.804 0.000 -0.805) 1.975 16.612 ( 1.575 -0.000 0.545) 1.666 16.641 ( 1.834 -0.000 -0.901) 2.043 16.776 ( -0.215 0.000 2.719) 2.728 16.821 ( 1.455 -0.000 -3.040) 3.371 17.335 ( 0.303 -0.000 2.835) 2.851 17.398 ( 1.653 -0.000 -0.842) 1.855 17.465 ( -1.184 0.000 3.351) 3.554 17.555 ( 0.555 -0.000 -3.498) 3.541 27.522 ( -1.034 0.000 1.622) 1.923 27.641 ( 1.236 -0.000 1.913) 2.277 27.841 ( -0.581 0.000 -1.995) 2.077 27.904 ( 1.091 -0.000 -1.623) 1.955 28.960 ( -0.380 0.000 5.367) 5.380 29.153 ( 6.638 -0.000 13.250) 14.820 29.192 ( 0.272 -0.000 1.115) 1.148 29.247 ( 4.123 -0.000 4.801) 6.328 29.353 ( -1.254 0.000 -1.840) 2.227 29.464 ( -0.430 0.000 4.688) 4.707 29.926 ( -1.702 0.000 0.681) 1.833 30.033 ( 1.431 -0.000 -3.151) 3.461 30.818 ( -8.360 0.000 -0.088) 8.360 31.149 ( -5.826 0.000 -5.876) 8.274 31.771 ( 1.983 -0.000 4.693) 5.095 32.085 ( -1.070 0.000 -19.989) 20.018 ======================= Grid point 237 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -9.794 -11.591 15.860) 21.951 1.012 ( -12.207 -18.383 15.171) 26.779 1.667 ( -3.898 -4.686 -0.406) 6.108 1.752 ( -20.939 -14.560 14.217) 29.199 1.769 ( 5.531 -6.478 -2.073) 8.767 2.061 ( -2.260 -5.172 2.073) 6.013 2.105 ( -2.924 -4.391 -3.586) 6.379 2.137 ( -0.526 -3.233 0.869) 3.389 2.285 ( -1.311 -7.217 4.225) 8.465 2.344 ( 4.640 -0.961 -1.811) 5.073 2.506 ( 8.524 -5.263 -9.507) 13.811 2.556 ( -2.429 2.784 -3.536) 5.114 2.752 ( 0.535 -6.469 -3.383) 7.320 2.889 ( 0.863 -5.957 6.523) 8.876 3.129 ( 4.850 0.918 -0.959) 5.028 3.221 ( 5.752 -2.314 0.780) 6.249 3.323 ( 2.778 2.202 6.177) 7.121 3.418 ( 1.371 -4.289 4.864) 6.628 3.526 ( -0.274 -5.854 5.396) 7.966 3.571 ( -8.540 8.569 11.314) 16.564 3.657 ( 4.113 2.065 1.120) 4.736 3.769 ( 3.488 -2.257 -0.291) 4.165 3.815 ( 2.157 -1.745 4.104) 4.954 3.965 ( 3.177 -2.345 -7.232) 8.240 4.135 ( 1.852 -3.937 -2.535) 5.036 4.251 ( -0.544 -1.605 0.197) 1.706 4.376 ( -5.564 -3.685 3.307) 7.448 4.563 ( -12.164 -3.911 6.262) 14.229 4.678 ( 7.902 2.186 -2.520) 8.577 4.761 ( -2.059 -3.008 -0.175) 3.649 4.914 ( 3.200 0.746 -1.901) 3.796 4.974 ( -3.190 1.221 -5.733) 6.673 5.152 ( -0.088 1.164 -4.315) 4.470 5.169 ( 5.629 0.148 2.335) 6.096 5.550 ( 5.186 1.495 -3.294) 6.323 5.637 ( 4.990 2.125 -7.055) 8.898 5.725 ( 6.928 4.732 -2.319) 8.704 5.898 ( -5.070 7.270 3.843) 9.660 6.099 ( -0.889 -1.979 -1.676) 2.742 6.292 ( -6.923 -3.166 -1.773) 7.816 6.420 ( -8.655 0.734 0.830) 8.726 6.557 ( -7.054 -3.865 -0.253) 8.047 6.642 ( -4.504 7.543 -4.711) 9.968 6.954 ( -6.800 -1.674 -0.317) 7.010 7.276 ( 4.480 5.708 0.784) 7.298 7.402 ( 3.190 0.538 1.555) 3.589 7.484 ( 1.832 6.214 2.739) 7.034 7.835 ( 13.292 3.975 9.082) 16.582 8.233 ( 1.227 7.270 4.355) 8.563 8.595 ( 2.647 -2.753 -4.711) 6.064 8.679 ( -1.130 -5.752 -5.879) 8.302 9.242 ( -1.854 4.529 3.930) 6.277 9.303 ( -0.104 3.898 0.009) 3.899 9.412 ( 2.115 3.680 -1.866) 4.637 9.874 ( 1.289 10.357 -1.379) 10.528 9.953 ( 0.825 4.857 -0.127) 4.929 10.245 ( -1.286 2.780 -2.007) 3.662 10.456 ( -2.467 2.769 2.732) 4.607 10.613 ( -0.410 -4.006 -2.651) 4.821 10.714 ( 3.817 -2.377 -3.719) 5.835 11.616 ( -2.883 0.579 -0.893) 3.073 11.721 ( -0.325 -2.402 -3.945) 4.630 11.862 ( -1.388 -0.241 2.488) 2.859 12.063 ( -3.593 1.971 0.812) 4.178 13.236 ( -2.205 -2.090 4.519) 5.445 13.327 ( 4.533 -2.652 -4.838) 7.140 13.986 ( -5.462 1.437 6.449) 8.572 14.174 ( 2.597 2.280 -5.481) 6.479 15.924 ( -0.469 0.894 -1.506) 1.813 15.999 ( -1.534 0.725 0.546) 1.782 16.213 ( -2.827 0.299 1.493) 3.211 16.279 ( -1.226 -0.713 -0.819) 1.638 16.606 ( 2.116 1.743 -0.228) 2.752 16.664 ( 0.663 -1.024 0.684) 1.398 16.743 ( -0.686 1.379 1.125) 1.907 16.870 ( 1.124 -3.353 -2.821) 4.524 17.283 ( -1.046 5.556 3.481) 6.639 17.373 ( -1.076 -0.464 2.182) 2.477 17.540 ( 1.001 -1.783 -3.397) 3.965 17.602 ( 1.321 -6.258 -2.428) 6.841 27.539 ( -0.709 -1.711 2.271) 2.931 27.671 ( 1.082 -1.045 1.968) 2.477 27.821 ( -0.736 0.202 -2.789) 2.892 27.902 ( 0.892 0.125 -2.071) 2.259 28.965 ( -0.939 5.661 5.103) 7.679 29.028 ( 3.760 6.978 4.597) 9.164 29.203 ( 0.882 6.886 2.113) 7.257 29.303 ( 0.037 -0.249 1.943) 1.959 29.450 ( 6.454 -6.949 10.848) 14.409 29.721 ( 9.824 -12.542 1.780) 16.031 29.825 ( -3.011 4.099 1.284) 5.246 30.135 ( 3.005 -8.326 -4.065) 9.741 30.759 ( -7.230 -0.764 -1.228) 7.374 31.090 ( -4.856 -1.191 -5.605) 7.510 31.734 ( -0.957 6.871 1.211) 7.042 31.900 ( -9.364 3.044 -13.194) 16.463 ======================= Grid point 246 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -4.040 0.000 28.965) 29.246 0.775 ( -8.359 0.000 21.329) 22.908 1.512 ( -22.469 0.000 31.581) 38.758 1.612 ( 0.061 -0.000 -7.938) 7.938 1.754 ( 5.476 -0.000 0.058) 5.476 1.947 ( -5.782 0.000 -10.615) 12.088 2.019 ( -0.031 0.000 -0.758) 0.759 2.134 ( -0.889 0.000 1.754) 1.966 2.288 ( 2.557 -0.000 10.551) 10.856 2.338 ( 0.474 -0.000 -3.801) 3.830 2.450 ( 5.574 -0.000 -12.328) 13.530 2.593 ( -1.179 0.000 -3.967) 4.138 2.619 ( -0.095 0.000 -8.180) 8.181 2.877 ( -0.792 0.000 8.469) 8.506 3.179 ( 8.478 -0.000 2.789) 8.925 3.313 ( 4.302 -0.000 2.109) 4.791 3.375 ( 3.403 -0.000 5.467) 6.439 3.383 ( -2.699 0.000 7.689) 8.149 3.508 ( -1.277 0.000 4.041) 4.238 3.667 ( -2.740 0.000 -3.758) 4.651 3.707 ( -2.980 0.000 4.457) 5.361 3.727 ( 7.738 -0.000 -1.560) 7.894 3.852 ( 4.041 -0.000 4.040) 5.714 3.988 ( 5.951 -0.000 -4.702) 7.584 4.125 ( 4.857 -0.000 6.152) 7.838 4.243 ( -12.805 0.000 -1.864) 12.940 4.294 ( 3.691 -0.000 1.811) 4.112 4.479 ( -5.247 0.000 12.159) 13.243 4.698 ( -2.006 0.000 -0.809) 2.163 4.793 ( 11.425 -0.000 -2.824) 11.769 4.911 ( 0.050 -0.000 -4.197) 4.198 4.944 ( -1.777 0.000 -1.767) 2.506 5.135 ( -1.654 0.000 -2.706) 3.172 5.233 ( 5.182 -0.000 -1.826) 5.494 5.601 ( 7.575 -0.000 -3.642) 8.405 5.625 ( -4.476 0.000 -3.925) 5.953 5.808 ( 10.668 -0.000 -7.777) 13.202 6.018 ( -5.906 0.000 -0.273) 5.912 6.019 ( -1.683 0.000 4.847) 5.130 6.185 ( -6.595 0.000 -2.281) 6.979 6.357 ( -7.705 0.000 -0.961) 7.765 6.446 ( -7.098 0.000 -1.196) 7.198 6.639 ( -7.932 0.000 -7.724) 11.072 6.854 ( -7.762 0.000 -2.114) 8.044 7.372 ( 2.686 -0.000 2.591) 3.732 7.418 ( 4.020 -0.000 -1.316) 4.230 7.590 ( 2.020 -0.000 4.970) 5.365 7.997 ( 9.810 -0.000 2.317) 10.080 8.391 ( 4.613 -0.000 9.836) 10.864 8.591 ( 4.675 -0.000 2.470) 5.288 8.616 ( 9.430 -0.000 0.432) 9.440 9.221 ( -8.610 0.000 -2.120) 8.867 9.355 ( 1.462 -0.000 0.132) 1.468 9.430 ( 0.221 -0.000 -1.061) 1.083 9.983 ( 1.653 -0.000 -0.527) 1.735 9.989 ( 0.134 -0.000 -0.735) 0.747 10.271 ( 0.389 -0.000 -2.518) 2.548 10.442 ( -7.021 0.000 -6.228) 9.385 10.550 ( -1.328 0.000 3.861) 4.083 10.708 ( 3.848 -0.000 -3.973) 5.532 11.595 ( -3.147 0.000 -0.744) 3.234 11.675 ( 0.325 -0.000 -4.606) 4.617 11.869 ( -0.267 0.000 3.841) 3.850 12.042 ( -5.901 0.000 -0.118) 5.903 13.222 ( -3.663 0.000 4.082) 5.484 13.320 ( 5.313 -0.000 -5.087) 7.356 13.984 ( -6.024 0.000 6.718) 9.023 14.189 ( 3.136 -0.000 -5.609) 6.426 15.934 ( 2.353 -0.000 0.643) 2.439 15.997 ( -1.540 0.000 0.958) 1.813 16.204 ( -2.734 0.000 1.644) 3.190 16.256 ( -0.882 0.000 -1.058) 1.377 16.640 ( 0.979 -0.000 0.679) 1.192 16.664 ( 2.012 -0.000 -0.563) 2.089 16.779 ( -2.175 0.000 1.336) 2.552 16.800 ( 0.257 -0.000 -4.020) 4.028 17.364 ( -0.585 0.000 2.574) 2.640 17.418 ( 1.623 -0.000 -0.645) 1.747 17.453 ( -2.210 0.000 -0.637) 2.300 17.533 ( 1.073 -0.000 -3.484) 3.646 27.532 ( -0.416 0.000 2.831) 2.861 27.681 ( 0.873 -0.000 2.582) 2.725 27.801 ( -0.959 0.000 -3.375) 3.509 27.899 ( 0.747 -0.000 -2.492) 2.602 29.039 ( 0.745 -0.000 9.303) 9.333 29.219 ( 1.251 -0.000 -0.755) 1.462 29.224 ( 0.952 -0.000 3.625) 3.748 29.332 ( 0.301 -0.000 -0.280) 0.411 29.437 ( -0.875 0.000 1.285) 1.554 29.759 ( 27.014 -0.000 13.397) 30.154 29.887 ( -2.190 0.000 -1.122) 2.461 30.021 ( 1.260 -0.000 -3.646) 3.857 30.713 ( -2.275 0.000 1.527) 2.739 31.025 ( -3.203 0.000 -4.465) 5.495 31.707 ( -21.688 0.000 -13.096) 25.335 31.802 ( -0.568 0.000 -0.766) 0.954 ======================= Grid point 247 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.964 -0.000 -8.609) 9.477 1.315 ( -3.964 0.000 8.609) 9.477 1.380 ( -4.427 0.000 -12.294) 13.067 1.380 ( 4.427 -0.000 12.294) 13.067 1.874 ( -4.431 0.000 -5.170) 6.809 1.874 ( 4.431 -0.000 5.170) 6.809 2.130 ( 2.846 -0.000 -14.084) 14.368 2.130 ( -2.846 0.000 14.084) 14.368 2.295 ( -0.311 0.000 -0.679) 0.747 2.295 ( 0.311 -0.000 0.679) 0.747 2.416 ( 0.584 -0.000 -5.808) 5.837 2.416 ( -0.584 0.000 5.808) 5.837 2.851 ( -7.520 0.000 -11.988) 14.152 2.851 ( 7.520 -0.000 11.988) 14.152 3.321 ( -8.134 0.000 0.917) 8.186 3.321 ( 8.134 -0.000 -0.917) 8.186 3.519 ( 1.614 -0.000 -5.285) 5.526 3.519 ( -1.614 0.000 5.285) 5.526 3.602 ( 1.956 -0.000 -1.365) 2.385 3.602 ( -1.956 0.000 1.365) 2.385 3.769 ( 0.483 -0.000 -6.646) 6.663 3.769 ( -0.483 0.000 6.646) 6.663 3.948 ( -15.247 0.000 1.603) 15.331 3.948 ( 15.247 -0.000 -1.603) 15.331 4.019 ( -5.376 0.000 -2.037) 5.749 4.019 ( 5.376 -0.000 2.037) 5.749 4.504 ( -1.475 0.000 -13.566) 13.646 4.504 ( 1.475 -0.000 13.566) 13.646 4.784 ( 0.408 -0.000 -0.488) 0.637 4.784 ( -0.408 0.000 0.488) 0.637 4.891 ( -2.345 0.000 -9.660) 9.940 4.891 ( 2.345 -0.000 9.660) 9.940 5.106 ( -13.770 0.000 2.232) 13.950 5.106 ( 13.770 -0.000 -2.232) 13.950 5.617 ( -6.878 0.000 2.243) 7.235 5.617 ( 6.878 -0.000 -2.243) 7.235 5.924 ( -14.495 0.000 -2.197) 14.660 5.924 ( 14.495 -0.000 2.197) 14.660 6.011 ( -4.639 0.000 -1.396) 4.845 6.011 ( 4.639 -0.000 1.396) 4.845 6.276 ( 0.030 -0.000 -0.830) 0.830 6.276 ( -0.030 0.000 0.830) 0.830 6.620 ( -4.627 0.000 -4.389) 6.378 6.620 ( 4.627 -0.000 4.389) 6.378 7.438 ( 2.862 -0.000 -1.584) 3.271 7.438 ( -2.862 0.000 1.584) 3.271 7.830 ( -5.514 0.000 -6.697) 8.675 7.830 ( 5.514 -0.000 6.697) 8.675 8.697 ( 0.635 -0.000 -8.986) 9.009 8.697 ( -0.635 0.000 8.986) 9.009 8.949 ( -2.402 0.000 -9.616) 9.912 8.949 ( 2.402 -0.000 9.616) 9.912 9.396 ( -1.071 0.000 -1.097) 1.533 9.396 ( 1.071 -0.000 1.097) 1.533 9.983 ( -1.588 0.000 0.108) 1.591 9.983 ( 1.588 -0.000 -0.108) 1.591 10.231 ( -7.908 0.000 2.449) 8.278 10.231 ( 7.908 -0.000 -2.449) 8.278 10.642 ( 2.634 -0.000 -4.474) 5.192 10.642 ( -2.634 0.000 4.474) 5.192 11.580 ( 1.448 -0.000 -2.627) 2.999 11.580 ( -1.448 0.000 2.627) 2.999 11.971 ( -1.902 0.000 -1.669) 2.531 11.971 ( 1.902 -0.000 1.669) 2.531 13.271 ( 5.089 -0.000 -4.558) 6.832 13.271 ( -5.089 0.000 4.558) 6.832 14.081 ( 5.398 -0.000 -6.721) 8.621 14.081 ( -5.398 0.000 6.721) 8.621 15.999 ( 2.923 -0.000 -1.083) 3.117 15.999 ( -2.923 0.000 1.083) 3.117 16.216 ( 0.933 -0.000 -1.632) 1.879 16.216 ( -0.933 0.000 1.632) 1.879 16.677 ( 1.208 -0.000 -1.641) 2.038 16.677 ( -1.208 0.000 1.641) 2.038 16.738 ( -2.393 0.000 0.146) 2.398 16.738 ( 2.393 -0.000 -0.146) 2.398 17.409 ( 1.807 -0.000 -2.325) 2.945 17.409 ( -1.807 0.000 2.325) 2.945 17.463 ( 2.067 -0.000 -2.947) 3.600 17.463 ( -2.067 0.000 2.947) 3.600 27.642 ( -0.331 0.000 -4.610) 4.622 27.642 ( 0.331 -0.000 4.610) 4.622 27.810 ( 0.133 -0.000 -3.895) 3.897 27.810 ( -0.133 0.000 3.895) 3.897 29.212 ( 0.082 -0.000 -1.353) 1.355 29.212 ( -0.082 0.000 1.353) 1.355 29.340 ( -2.111 0.000 -3.741) 4.296 29.340 ( 2.111 -0.000 3.741) 4.296 29.612 ( -2.870 0.000 -14.388) 14.672 29.612 ( 2.870 -0.000 14.388) 14.672 29.947 ( 0.763 -0.000 -1.367) 1.566 29.947 ( -0.763 0.000 1.367) 1.566 30.868 ( 1.001 -0.000 -5.602) 5.691 30.868 ( -1.001 0.000 5.602) 5.691 31.639 ( -4.334 0.000 -6.647) 7.935 31.639 ( 4.334 -0.000 6.647) 7.935 ======================= Grid point 249 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 4.249 -5.354 -20.003) 21.139 1.366 ( 3.674 -6.979 -9.929) 12.680 1.426 ( -2.066 -7.815 6.533) 10.393 1.585 ( 3.333 -9.139 16.084) 18.797 1.879 ( -5.338 -7.348 -3.301) 9.663 1.999 ( 3.378 -7.554 5.105) 9.723 2.108 ( 2.047 -1.925 -8.312) 8.774 2.170 ( -0.251 -0.584 6.488) 6.519 2.324 ( 1.753 -3.930 -4.160) 5.985 2.346 ( -1.520 -5.617 4.268) 7.216 2.427 ( 0.897 -4.143 -8.220) 9.249 2.522 ( 0.311 -7.873 9.871) 12.630 2.762 ( -6.550 -5.378 -14.905) 17.146 2.979 ( 5.212 -3.830 6.001) 8.823 3.162 ( -11.134 7.365 3.344) 13.762 3.287 ( 6.453 6.734 -3.555) 9.981 3.523 ( -0.498 -1.496 -4.837) 5.087 3.564 ( -1.304 -3.633 3.376) 5.128 3.667 ( -3.480 -9.308 -1.487) 10.048 3.688 ( -1.993 -7.514 2.142) 8.064 3.742 ( 3.482 0.945 -7.630) 8.440 3.786 ( -1.909 1.572 4.249) 4.916 3.896 ( -3.551 -0.916 -0.028) 3.667 3.958 ( -8.619 -4.835 -2.619) 10.224 4.001 ( 5.227 4.000 2.459) 7.026 4.167 ( 10.944 -5.395 3.249) 12.626 4.411 ( -0.058 2.159 -8.458) 8.730 4.533 ( 0.774 4.754 12.602) 13.491 4.761 ( -2.458 1.531 0.090) 2.898 4.770 ( -2.063 -0.702 -3.089) 3.780 4.845 ( 0.492 -0.796 -6.733) 6.798 4.941 ( -0.745 -0.173 9.936) 9.965 5.054 ( -6.363 -3.208 -0.350) 7.134 5.165 ( 7.597 2.916 -4.664) 9.379 5.554 ( -6.384 2.340 4.820) 8.335 5.620 ( 4.301 3.588 -0.806) 5.659 5.801 ( -15.868 -1.213 -1.626) 15.997 5.930 ( 1.802 5.738 -4.829) 7.713 6.020 ( 2.718 0.177 3.978) 4.821 6.073 ( 14.350 1.238 -0.502) 14.412 6.313 ( 4.322 -1.535 0.426) 4.606 6.317 ( 4.650 -1.018 3.562) 5.945 6.620 ( -2.565 -5.171 -3.289) 6.643 6.738 ( 6.649 -5.014 5.263) 9.852 7.353 ( -4.470 7.192 0.401) 8.478 7.409 ( 2.651 4.790 -0.205) 5.478 7.718 ( -5.579 4.316 -6.982) 9.924 7.863 ( 3.147 4.841 6.990) 9.067 8.539 ( -6.374 8.901 -6.484) 12.724 8.633 ( -1.362 8.080 2.741) 8.640 8.792 ( -10.012 4.485 -7.635) 13.366 9.025 ( 10.679 1.070 6.451) 12.523 9.386 ( -5.851 0.752 -0.751) 5.947 9.454 ( 1.499 -2.342 -1.478) 3.149 9.870 ( -3.573 9.647 0.460) 10.297 9.932 ( 2.062 6.766 1.158) 7.168 10.202 ( -5.514 -0.729 1.841) 5.859 10.338 ( 9.811 -2.520 1.059) 10.184 10.642 ( -0.806 -0.817 -1.329) 1.755 10.660 ( -0.115 -2.055 1.253) 2.410 11.592 ( 0.955 -1.166 -1.193) 1.922 11.602 ( 0.009 -1.879 2.531) 3.152 11.953 ( -0.180 -0.083 -2.904) 2.911 11.999 ( 3.149 -0.011 1.322) 3.416 13.278 ( -4.305 -3.099 3.930) 6.602 13.308 ( 4.582 -2.425 -4.611) 6.938 14.058 ( -4.817 1.706 6.714) 8.438 14.077 ( 5.331 1.867 -6.237) 8.414 15.962 ( -2.582 1.596 -0.145) 3.039 15.995 ( 2.256 1.980 -1.173) 3.223 16.212 ( -0.511 0.092 0.255) 0.579 16.234 ( 2.268 -0.874 -0.075) 2.431 16.650 ( -2.511 0.767 -0.726) 2.724 16.689 ( 1.368 -0.502 0.313) 1.490 16.737 ( -1.514 -1.339 -0.734) 2.150 16.784 ( 2.063 -2.100 2.209) 3.681 17.368 ( -1.075 2.643 -1.963) 3.463 17.394 ( 0.249 1.169 1.102) 1.626 17.486 ( -2.118 -2.953 0.948) 3.755 17.517 ( 1.422 -3.827 1.131) 4.236 27.628 ( -0.034 -1.190 -4.234) 4.398 27.675 ( 0.515 -0.966 4.221) 4.361 27.790 ( -0.101 0.205 -3.557) 3.564 27.826 ( -0.365 0.163 3.820) 3.840 29.084 ( -3.788 8.894 -1.453) 9.776 29.163 ( 4.107 7.804 0.841) 8.858 29.268 ( -2.120 2.223 -7.082) 7.719 29.372 ( 2.162 2.243 5.598) 6.406 29.596 ( -0.741 -5.693 -12.224) 13.505 29.729 ( 0.474 -2.967 10.520) 10.941 29.962 ( -2.140 -3.010 -4.262) 5.639 30.011 ( -1.985 -6.604 6.611) 9.553 30.850 ( -3.495 -1.498 -5.398) 6.603 30.909 ( -2.209 -3.300 5.607) 6.871 31.593 ( 4.482 0.074 -4.416) 6.293 31.667 ( 5.996 5.487 4.135) 9.119 ======================= Grid point 250 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 1.605 -9.037 -19.529) 21.578 1.468 ( 5.209 -5.788 -8.238) 11.335 1.615 ( 4.260 -9.931 3.543) 11.372 1.796 ( 3.017 -5.979 6.358) 9.235 1.969 ( -4.125 -7.167 2.665) 8.688 2.092 ( -0.306 0.322 -3.476) 3.504 2.160 ( 1.666 -2.123 3.211) 4.195 2.249 ( 1.493 -5.038 8.038) 9.603 2.408 ( -0.998 -6.045 -3.485) 7.048 2.460 ( -4.264 -7.506 4.604) 9.784 2.501 ( 1.377 -7.552 -6.678) 10.175 2.711 ( 0.775 -5.590 8.551) 10.245 2.822 ( -4.206 -12.252 -9.535) 16.085 3.001 ( -1.446 -0.200 5.854) 6.033 3.139 ( -0.255 -6.271 -0.935) 6.345 3.228 ( 1.829 2.175 -2.847) 4.023 3.522 ( -0.084 -4.397 -5.653) 7.162 3.622 ( 2.137 -1.956 -3.592) 4.614 3.682 ( -3.817 2.496 -8.415) 9.572 3.725 ( -4.497 0.482 1.050) 4.644 3.751 ( -0.473 0.252 -1.968) 2.040 3.829 ( 1.300 -10.311 -7.521) 12.829 3.900 ( -1.552 -4.106 5.998) 7.433 3.969 ( 1.695 0.369 -1.754) 2.467 4.090 ( -3.547 -12.368 0.789) 12.891 4.265 ( -2.263 -3.504 3.541) 5.471 4.387 ( 1.434 4.181 5.868) 7.346 4.590 ( 9.624 -2.271 8.311) 12.917 4.734 ( -4.465 -2.728 2.992) 6.028 4.794 ( 3.029 -4.092 -4.800) 6.997 4.842 ( 1.056 -1.075 -4.449) 4.697 4.986 ( -1.921 -1.664 3.226) 4.107 5.062 ( -2.040 -0.785 1.821) 2.845 5.109 ( 1.248 3.096 -5.185) 6.166 5.474 ( -5.461 4.737 5.504) 9.086 5.583 ( 0.293 3.376 2.486) 4.203 5.701 ( -11.419 -1.073 -2.795) 11.805 5.833 ( 4.629 5.220 -5.986) 9.193 6.019 ( -0.353 2.844 4.314) 5.179 6.158 ( 10.454 0.202 -1.219) 10.527 6.364 ( 5.698 1.018 1.484) 5.975 6.413 ( 8.413 -1.682 3.406) 9.231 6.692 ( -1.269 -5.778 -2.154) 6.296 6.876 ( 5.318 -0.824 2.723) 6.032 7.160 ( -5.430 10.966 2.285) 12.448 7.343 ( 4.873 6.494 0.586) 8.140 7.535 ( -4.952 7.436 -7.736) 11.817 7.767 ( -2.244 11.100 5.708) 12.682 8.328 ( -2.091 6.508 -10.438) 12.477 8.484 ( -1.394 7.341 3.946) 8.450 8.681 ( -7.452 -0.563 0.016) 7.473 9.111 ( 9.562 3.083 6.383) 11.903 9.252 ( -6.953 7.287 -2.250) 10.320 9.394 ( -3.801 6.762 -2.832) 8.258 9.661 ( -2.582 11.650 0.409) 11.939 9.837 ( 1.815 6.523 1.109) 6.862 10.193 ( -2.416 -1.045 1.112) 2.857 10.422 ( 6.298 0.839 0.854) 6.411 10.636 ( -1.214 -0.400 -2.541) 2.844 10.715 ( 0.616 -2.874 2.080) 3.601 11.612 ( 0.716 -1.023 -1.658) 2.076 11.659 ( 0.272 -2.565 4.179) 4.911 11.939 ( 0.955 0.195 -4.367) 4.475 12.030 ( 2.804 0.013 1.120) 3.019 13.340 ( -3.004 -5.763 2.417) 6.934 13.379 ( 2.905 -5.105 -3.800) 6.996 14.014 ( -3.783 3.183 5.989) 7.766 14.043 ( 4.553 3.559 -5.244) 7.803 15.920 ( -1.361 1.180 -0.427) 1.851 15.971 ( 1.815 2.199 -0.297) 2.867 16.216 ( -0.227 -0.847 0.816) 1.198 16.269 ( 2.693 -0.759 -0.440) 2.832 16.618 ( -2.825 -0.077 -1.199) 3.070 16.712 ( 1.327 -0.643 0.405) 1.529 16.746 ( -0.813 -1.530 -1.440) 2.253 16.842 ( 0.879 -1.680 2.813) 3.393 17.307 ( -1.145 1.795 -3.398) 4.010 17.392 ( -0.334 0.199 2.501) 2.531 17.527 ( -1.198 -3.017 0.376) 3.267 17.596 ( 1.152 -2.957 2.818) 4.244 27.639 ( 0.294 -2.151 -3.350) 3.991 27.719 ( 0.554 -1.509 2.917) 3.330 27.769 ( -0.209 0.406 -2.547) 2.588 27.838 ( -0.399 0.021 3.570) 3.593 28.901 ( -3.932 7.822 -2.249) 9.039 29.067 ( 1.238 5.277 -1.093) 5.530 29.185 ( 1.102 3.781 -5.640) 6.879 29.353 ( 0.747 3.782 3.787) 5.404 29.614 ( 2.507 -1.184 -8.110) 8.571 29.811 ( -0.434 -0.892 10.435) 10.482 29.960 ( -4.027 -4.985 -12.123) 13.712 30.135 ( -6.230 -5.651 9.590) 12.756 30.824 ( -0.806 -2.463 -5.860) 6.408 30.993 ( -1.833 -5.820 3.994) 7.293 31.592 ( 3.622 9.679 2.674) 10.674 31.683 ( 9.097 -3.561 1.623) 9.903 ======================= Grid point 251 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 2.827 -11.020 -13.755) 17.851 1.561 ( 4.235 -5.353 -5.963) 9.064 1.821 ( 4.935 -8.063 1.095) 9.516 1.899 ( 0.224 -2.756 0.641) 2.838 2.045 ( 0.016 1.700 3.410) 3.810 2.056 ( -2.989 -3.050 -0.193) 4.275 2.191 ( 0.710 -0.770 1.198) 1.591 2.382 ( 1.402 -4.012 3.745) 5.665 2.446 ( -2.493 -2.634 -1.425) 3.897 2.523 ( -3.202 -0.420 3.294) 4.613 2.589 ( -4.599 -5.692 5.485) 9.145 2.778 ( 2.835 -0.610 -0.336) 2.919 2.889 ( -1.437 -2.991 2.316) 4.047 3.108 ( -2.491 1.423 0.993) 3.036 3.171 ( 1.402 -1.438 -1.354) 2.423 3.269 ( 0.767 -7.050 0.613) 7.118 3.515 ( 5.193 3.976 -7.673) 10.082 3.590 ( -7.391 -0.968 -6.003) 9.571 3.699 ( 3.710 -5.265 -9.691) 11.636 3.708 ( -4.136 -1.020 2.094) 4.747 3.775 ( 1.748 -8.910 -9.480) 13.127 3.947 ( 0.692 -4.675 -3.399) 5.821 3.962 ( -0.026 -5.353 3.272) 6.273 4.043 ( 1.865 -8.574 0.409) 8.784 4.196 ( -4.051 0.374 2.320) 4.683 4.374 ( -2.683 -7.022 6.376) 9.856 4.460 ( 1.496 -10.576 7.405) 12.997 4.698 ( 4.154 0.883 6.374) 7.659 4.793 ( -2.173 -1.687 -1.804) 3.290 4.877 ( 0.189 -4.388 2.787) 5.202 4.895 ( 7.353 -6.529 -6.101) 11.572 4.989 ( -1.056 -2.273 -7.120) 7.549 5.055 ( 0.485 0.969 2.191) 2.444 5.107 ( -1.445 -3.754 4.208) 5.821 5.392 ( -5.976 2.875 7.968) 10.366 5.550 ( -1.571 0.157 -2.009) 2.555 5.604 ( -7.788 2.037 -2.491) 8.426 5.772 ( 5.383 4.629 -4.198) 8.248 5.999 ( -0.081 0.503 4.390) 4.420 6.220 ( 5.389 -0.384 -0.210) 5.407 6.396 ( 6.128 1.388 0.483) 6.302 6.510 ( 5.697 -1.188 0.979) 5.901 6.728 ( 0.258 1.096 -1.261) 1.691 6.834 ( -2.337 6.044 -1.292) 6.608 6.962 ( 0.571 12.028 4.890) 12.997 7.232 ( -0.274 9.468 -3.232) 10.008 7.406 ( 1.728 1.523 -3.726) 4.381 7.542 ( -6.043 12.545 2.251) 14.106 8.212 ( 1.389 0.919 -9.580) 9.724 8.438 ( 0.245 3.156 8.918) 9.464 8.626 ( -5.155 2.987 1.845) 6.237 9.059 ( -2.764 8.082 -2.390) 8.869 9.074 ( -1.651 9.224 3.193) 9.900 9.270 ( 0.849 2.232 -0.486) 2.437 9.481 ( -1.636 7.610 0.156) 7.785 9.761 ( 1.061 4.349 0.099) 4.478 10.200 ( -0.442 -0.502 0.437) 0.799 10.436 ( 3.266 1.806 0.165) 3.736 10.613 ( -1.290 0.241 -2.490) 2.815 10.770 ( 1.012 -1.709 1.500) 2.489 11.621 ( 0.431 -0.592 -1.526) 1.693 11.726 ( 0.330 -2.265 5.343) 5.813 11.914 ( 0.998 0.865 -5.420) 5.578 12.052 ( 1.603 -0.090 0.727) 1.762 13.431 ( -1.885 -6.137 0.970) 6.493 13.481 ( 1.446 -6.496 -2.430) 7.085 13.953 ( -2.318 4.138 4.136) 6.293 13.986 ( 3.019 4.153 -3.330) 6.119 15.899 ( -0.699 0.285 -0.168) 0.773 15.954 ( 1.381 1.347 0.449) 1.981 16.242 ( 0.153 -1.405 1.288) 1.912 16.291 ( 1.882 -0.005 -0.999) 2.131 16.597 ( -2.147 -0.456 -1.363) 2.584 16.732 ( 0.611 -0.581 -0.034) 0.844 16.760 ( 0.094 -1.240 -0.855) 1.509 16.875 ( -0.184 -0.622 1.895) 2.003 17.264 ( -0.649 0.788 -2.390) 2.599 17.401 ( -0.305 -0.072 2.142) 2.165 17.564 ( -0.588 -2.022 0.052) 2.106 17.655 ( 0.788 -1.654 2.509) 3.107 27.666 ( 0.457 -2.170 -2.251) 3.160 27.746 ( -0.583 -0.399 -2.864) 2.950 27.760 ( 0.744 -0.281 2.892) 2.999 27.855 ( -0.216 -0.325 2.965) 2.990 28.754 ( -3.016 4.953 -2.330) 6.250 29.006 ( -1.340 1.344 -1.830) 2.636 29.109 ( 2.868 4.387 -3.240) 6.161 29.306 ( -0.107 3.446 1.651) 3.822 29.597 ( 2.123 1.517 -4.089) 4.851 29.860 ( -0.289 0.126 9.449) 9.455 29.959 ( -2.033 -5.290 -13.399) 14.548 30.173 ( -7.083 -1.191 6.656) 9.792 30.895 ( 4.420 -6.362 -2.042) 8.011 31.096 ( -1.810 -5.974 2.305) 6.654 31.443 ( 1.530 11.410 0.700) 11.533 31.818 ( 5.621 -3.235 3.301) 7.278 ======================= Grid point 252 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 2.271 -3.642 -4.032) 5.889 1.677 ( 2.463 -7.459 -2.593) 8.272 1.898 ( -0.529 0.100 -2.633) 2.687 1.936 ( 0.059 -1.086 0.237) 1.113 2.034 ( -0.659 -0.565 -0.446) 0.976 2.051 ( -0.327 2.632 3.569) 4.446 2.230 ( 1.383 -1.750 0.851) 2.388 2.405 ( -1.929 -0.194 -1.269) 2.317 2.460 ( -0.324 -0.536 0.562) 0.841 2.561 ( 0.807 -2.453 6.159) 6.678 2.631 ( -5.140 -0.963 1.106) 5.345 2.786 ( 2.309 1.411 -1.520) 3.104 2.896 ( 0.662 0.763 -0.394) 1.084 3.081 ( -1.962 0.142 1.672) 2.581 3.213 ( 2.334 -2.982 0.921) 3.898 3.310 ( 0.611 1.565 0.695) 1.818 3.484 ( 3.228 2.506 -5.133) 6.561 3.514 ( -4.380 -0.324 -2.632) 5.120 3.708 ( -3.482 -1.391 1.673) 4.106 3.716 ( 0.990 -0.288 -3.685) 3.826 3.858 ( 1.084 -3.387 -5.923) 6.909 3.978 ( -1.653 -1.308 0.428) 2.151 4.101 ( 3.995 -0.951 -2.126) 4.625 4.153 ( -2.825 -3.364 5.091) 6.725 4.281 ( 4.246 -12.465 1.048) 13.210 4.448 ( -3.650 0.956 1.162) 3.948 4.619 ( 2.992 -1.332 3.162) 4.553 4.685 ( -1.152 2.688 -0.299) 2.940 4.813 ( 1.196 -3.951 0.038) 4.128 4.901 ( -4.068 0.614 0.246) 4.121 5.013 ( 1.117 -3.657 -1.182) 4.002 5.040 ( 0.303 -5.507 -3.949) 6.783 5.113 ( 5.887 -1.881 5.189) 8.070 5.206 ( -0.410 -5.858 0.681) 5.912 5.353 ( -4.510 0.903 5.325) 7.036 5.440 ( -3.271 5.752 -5.278) 8.464 5.582 ( -1.014 -1.589 0.482) 1.946 5.720 ( 2.346 2.940 -1.536) 4.063 6.066 ( 0.852 -4.837 2.119) 5.348 6.254 ( 1.184 -0.468 0.197) 1.288 6.388 ( 0.859 3.696 -0.151) 3.798 6.560 ( 7.032 -0.143 0.030) 7.034 6.660 ( 0.137 3.837 -1.677) 4.189 6.689 ( -7.565 5.043 0.193) 9.094 6.854 ( 4.286 4.942 1.870) 6.803 7.084 ( -1.467 4.199 -1.910) 4.841 7.344 ( -2.369 5.160 0.599) 5.709 7.413 ( 0.581 -0.227 -1.283) 1.427 8.224 ( 3.644 -3.698 -5.680) 7.695 8.386 ( -3.639 6.307 4.967) 8.814 8.553 ( -1.169 1.873 2.133) 3.070 8.931 ( -0.902 4.576 -0.317) 4.675 8.960 ( -1.711 1.666 0.266) 2.403 9.271 ( 1.466 0.299 0.407) 1.550 9.391 ( -0.574 2.326 -0.064) 2.396 9.717 ( 0.356 1.581 -0.106) 1.624 10.204 ( -0.038 -0.080 0.055) 0.104 10.429 ( 1.054 0.858 -0.049) 1.360 10.593 ( -0.571 0.138 -0.965) 1.130 10.800 ( 0.492 -0.520 0.523) 0.887 11.625 ( 0.154 -0.197 -0.607) 0.656 11.785 ( 0.172 -1.437 4.426) 4.657 11.877 ( 0.366 1.018 -4.455) 4.585 12.064 ( 0.489 -0.058 0.256) 0.555 13.504 ( -0.791 -2.968 0.327) 3.089 13.571 ( 0.553 -3.624 -1.093) 3.825 13.892 ( -0.714 2.663 1.434) 3.107 13.935 ( 0.996 2.119 -0.935) 2.521 15.894 ( -0.257 -0.039 -0.060) 0.267 15.950 ( 0.563 0.404 0.368) 0.785 16.270 ( -0.010 -1.053 1.254) 1.638 16.290 ( 0.739 0.564 -1.186) 1.507 16.585 ( -0.776 -0.213 -0.657) 1.039 16.740 ( 0.128 -0.245 -0.233) 0.361 16.777 ( 0.289 -0.603 -0.046) 0.670 16.883 ( -0.337 0.011 0.609) 0.696 17.245 ( -0.173 0.214 -0.818) 0.863 17.408 ( -0.099 -0.039 0.834) 0.841 17.583 ( -0.191 -0.658 -0.026) 0.686 17.687 ( 0.284 -0.561 0.967) 1.154 27.690 ( 0.314 -1.092 -0.849) 1.418 27.732 ( -0.322 0.293 -0.816) 0.925 27.780 ( 0.254 -0.269 0.787) 0.869 27.870 ( -0.033 -0.257 1.236) 1.262 28.673 ( -1.158 1.690 -0.988) 2.274 28.979 ( -1.238 -0.126 -1.043) 1.623 29.063 ( 1.756 2.066 -0.872) 2.848 29.267 ( -0.177 1.403 0.360) 1.459 29.572 ( 0.609 0.866 -1.146) 1.561 29.896 ( 0.433 0.098 4.617) 4.638 29.964 ( -0.578 -2.305 -6.575) 6.991 30.156 ( -2.963 0.281 2.487) 3.879 31.058 ( 5.164 -8.345 0.738) 9.841 31.166 ( -4.002 -3.890 -0.129) 5.583 31.259 ( 0.749 11.464 0.051) 11.488 31.896 ( 1.731 -1.162 1.334) 2.475 ======================= Grid point 258 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 2.314 -0.000 -20.548) 20.678 1.265 ( 8.814 -0.000 -24.803) 26.323 1.429 ( 1.866 -0.000 12.516) 12.655 1.597 ( 2.310 -0.000 17.618) 17.769 1.758 ( -4.010 0.000 -2.800) 4.891 1.970 ( 1.343 -0.000 4.245) 4.452 2.067 ( 8.426 -0.000 -14.226) 16.534 2.209 ( -2.960 0.000 10.857) 11.254 2.252 ( 2.257 -0.000 -10.176) 10.423 2.311 ( 1.243 -0.000 0.918) 1.545 2.436 ( 1.919 -0.000 5.596) 5.916 2.489 ( 1.417 -0.000 7.017) 7.159 2.581 ( -6.089 0.000 -16.700) 17.775 2.975 ( 0.254 -0.000 -0.507) 0.567 3.193 ( -6.917 0.000 1.176) 7.016 3.329 ( -6.881 0.000 0.201) 6.884 3.472 ( -4.279 0.000 -3.232) 5.362 3.486 ( -4.358 0.000 -4.767) 6.458 3.566 ( -3.854 0.000 1.018) 3.986 3.619 ( -0.441 0.000 3.717) 3.743 3.743 ( 0.722 -0.000 -6.202) 6.244 3.807 ( 5.989 -0.000 -3.305) 6.840 3.847 ( 1.974 -0.000 4.959) 5.338 3.911 ( -5.848 0.000 1.284) 5.987 4.121 ( 0.958 -0.000 3.405) 3.537 4.196 ( 12.775 -0.000 1.931) 12.920 4.370 ( -2.604 0.000 -7.426) 7.869 4.618 ( -1.849 0.000 7.148) 7.384 4.697 ( -2.112 0.000 -8.787) 9.037 4.789 ( -6.193 0.000 -4.031) 7.389 4.814 ( 1.730 -0.000 6.317) 6.550 4.949 ( -2.139 0.000 -1.156) 2.432 5.012 ( 0.509 -0.000 10.740) 10.752 5.243 ( 6.724 -0.000 -5.897) 8.944 5.529 ( -6.918 0.000 3.758) 7.872 5.646 ( -17.242 0.000 3.540) 17.601 5.680 ( 3.868 -0.000 -3.360) 5.124 6.029 ( 6.532 -0.000 -1.116) 6.627 6.048 ( -0.237 0.000 2.433) 2.445 6.190 ( 14.066 -0.000 -3.763) 14.561 6.338 ( 7.820 -0.000 0.601) 7.843 6.385 ( 10.139 -0.000 4.720) 11.184 6.563 ( -0.132 0.000 0.920) 0.930 6.781 ( 8.697 -0.000 5.492) 10.286 7.389 ( -4.905 0.000 1.607) 5.161 7.435 ( -0.743 0.000 -3.444) 3.523 7.684 ( -4.744 0.000 -5.038) 6.920 7.948 ( -0.539 0.000 5.539) 5.565 8.535 ( -8.244 0.000 -5.411) 9.861 8.615 ( -10.691 0.000 1.471) 10.792 8.756 ( -8.705 0.000 -14.601) 16.999 9.133 ( 9.370 -0.000 6.631) 11.479 9.366 ( -0.777 0.000 -1.211) 1.439 9.415 ( 0.257 -0.000 1.016) 1.048 9.961 ( -1.235 0.000 2.290) 2.602 9.977 ( -1.891 0.000 0.128) 1.895 10.216 ( 0.957 -0.000 3.175) 3.316 10.370 ( 5.899 -0.000 2.353) 6.351 10.630 ( 1.567 -0.000 -4.551) 4.814 10.632 ( -3.897 0.000 4.162) 5.701 11.595 ( 2.757 -0.000 -1.019) 2.940 11.597 ( -0.468 0.000 3.747) 3.776 11.939 ( 0.779 -0.000 -3.422) 3.509 12.038 ( 4.715 -0.000 0.824) 4.786 13.236 ( -4.562 0.000 4.065) 6.111 13.307 ( 5.213 -0.000 -5.097) 7.291 14.069 ( -4.560 0.000 7.253) 8.567 14.106 ( 5.626 -0.000 -6.323) 8.463 15.950 ( -2.844 0.000 -0.842) 2.966 16.023 ( 2.391 -0.000 -2.038) 3.142 16.231 ( 2.622 -0.000 -1.346) 2.947 16.233 ( 0.969 -0.000 1.460) 1.752 16.653 ( -2.382 0.000 0.608) 2.458 16.663 ( -0.617 0.000 -1.736) 1.843 16.733 ( -0.668 0.000 2.982) 3.056 16.786 ( 2.369 -0.000 0.574) 2.437 17.398 ( -2.020 0.000 1.736) 2.663 17.408 ( 0.674 -0.000 -2.163) 2.265 17.458 ( -2.682 0.000 4.429) 5.178 17.462 ( 0.897 -0.000 -1.544) 1.786 27.598 ( 0.279 -0.000 -4.167) 4.177 27.689 ( 0.229 -0.000 3.203) 3.211 27.777 ( 0.073 -0.000 -2.363) 2.364 27.841 ( -0.717 0.000 3.677) 3.746 29.179 ( -0.230 0.000 -4.351) 4.357 29.208 ( -1.095 0.000 0.428) 1.176 29.305 ( 0.518 -0.000 -1.812) 1.885 29.412 ( -4.175 0.000 -13.087) 13.737 29.426 ( 3.370 -0.000 2.746) 4.347 29.744 ( -2.745 0.000 8.945) 9.357 29.916 ( -3.211 0.000 -2.291) 3.945 29.948 ( -1.853 0.000 3.651) 4.094 30.789 ( -1.670 0.000 -5.888) 6.121 30.896 ( -3.336 0.000 9.666) 10.226 31.621 ( 7.720 -0.000 -0.937) 7.776 31.792 ( 8.390 -0.000 0.136) 8.391 ======================= Grid point 259 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 3.242 -6.076 -23.238) 24.237 1.338 ( 9.317 -12.308 -19.447) 24.829 1.547 ( 4.898 -4.305 9.061) 11.163 1.742 ( -0.196 -4.532 4.324) 6.267 1.820 ( 0.157 -10.108 5.601) 11.558 2.057 ( 0.104 -6.083 1.574) 6.284 2.107 ( 3.417 -2.804 -1.777) 4.764 2.215 ( 1.545 -2.139 1.942) 3.276 2.310 ( -0.112 -4.227 -2.613) 4.971 2.352 ( 1.615 -5.761 -1.040) 6.073 2.422 ( 0.018 1.989 1.769) 2.662 2.549 ( 2.358 -8.505 -10.490) 13.709 2.638 ( -0.400 -7.711 6.860) 10.328 2.996 ( -2.899 -5.448 -2.879) 6.810 3.079 ( -3.863 5.931 4.150) 8.205 3.249 ( -6.889 1.760 -2.459) 7.524 3.440 ( -3.371 -2.378 -5.995) 7.278 3.487 ( -5.626 -5.642 -3.004) 8.515 3.577 ( -5.777 -6.442 0.366) 8.660 3.679 ( 1.328 -2.576 -4.545) 5.391 3.755 ( -1.039 -4.463 3.402) 5.707 3.797 ( 4.452 4.988 -5.821) 8.865 3.853 ( 0.760 1.155 -4.668) 4.869 3.907 ( 0.455 -1.488 1.889) 2.448 4.080 ( 1.347 3.026 2.233) 3.995 4.251 ( -1.696 1.962 0.015) 2.594 4.401 ( 1.212 -5.143 0.434) 5.302 4.643 ( 1.644 -1.455 6.090) 6.473 4.667 ( -5.553 -1.416 -1.509) 5.926 4.734 ( 4.376 -2.335 -5.553) 7.446 4.852 ( 1.640 0.816 3.819) 4.236 4.957 ( 0.973 -0.762 -2.151) 2.481 5.074 ( -0.120 -0.528 9.718) 9.733 5.188 ( 1.202 5.627 -4.516) 7.314 5.470 ( -10.137 1.790 2.018) 10.490 5.556 ( -11.847 -2.509 1.511) 12.204 5.677 ( 2.571 4.199 1.646) 5.191 5.986 ( 6.959 7.200 -4.587) 11.014 6.052 ( -0.033 0.690 3.225) 3.298 6.277 ( 11.590 0.919 -1.220) 11.690 6.425 ( 9.143 -0.500 0.177) 9.159 6.503 ( 9.482 0.775 5.657) 11.068 6.597 ( 1.718 -3.510 0.261) 3.917 6.913 ( 8.623 -3.027 3.997) 9.975 7.278 ( -5.680 7.413 0.932) 9.385 7.415 ( -1.877 0.023 -1.225) 2.241 7.573 ( -4.166 6.282 -5.530) 9.348 7.893 ( -6.650 5.289 1.910) 8.709 8.367 ( -5.444 6.791 -8.224) 11.974 8.569 ( -6.132 4.653 -3.433) 8.428 8.605 ( -4.865 -3.319 3.065) 6.639 9.234 ( 7.580 0.324 4.659) 8.903 9.303 ( -2.307 5.382 -1.354) 6.010 9.418 ( -2.219 2.119 -1.483) 3.407 9.849 ( -1.337 10.300 1.326) 10.471 9.946 ( -0.711 4.843 0.652) 4.938 10.204 ( 1.802 1.916 2.311) 3.501 10.460 ( 2.676 -2.688 1.961) 4.270 10.609 ( -2.065 -0.120 -0.461) 2.119 10.662 ( -0.636 -3.710 0.312) 3.776 11.606 ( 1.086 -0.001 0.584) 1.233 11.642 ( 1.406 -2.245 3.301) 4.232 11.931 ( 1.556 0.011 -4.124) 4.408 12.070 ( 3.956 0.905 0.295) 4.069 13.249 ( -3.899 -3.455 3.545) 6.301 13.330 ( 4.020 -1.470 -5.429) 6.913 14.056 ( -3.861 1.698 7.127) 8.281 14.102 ( 5.231 2.079 -5.988) 8.219 15.921 ( -1.393 0.689 -0.647) 1.683 16.018 ( 2.347 1.701 -1.514) 3.270 16.225 ( 1.617 0.893 0.410) 1.892 16.273 ( 2.589 -1.192 -0.309) 2.867 16.606 ( -2.367 1.636 -0.156) 2.881 16.686 ( -0.442 -2.470 -1.707) 3.035 16.735 ( -0.012 0.509 1.964) 2.029 16.826 ( 0.417 -2.091 1.767) 2.770 17.329 ( -1.234 3.719 -1.719) 4.279 17.402 ( 0.197 0.452 0.025) 0.493 17.473 ( -1.829 -2.695 2.911) 4.368 17.547 ( -0.027 -5.358 2.623) 5.966 27.594 ( 0.540 -1.449 -3.604) 3.921 27.705 ( -0.516 -0.939 -0.007) 1.071 27.773 ( 0.649 0.279 0.732) 1.017 27.851 ( -0.810 0.041 3.372) 3.468 29.025 ( -2.161 10.642 -0.924) 10.899 29.147 ( -1.527 5.747 -8.097) 10.046 29.238 ( 2.623 4.276 -1.334) 5.191 29.375 ( -1.443 -1.616 -4.905) 5.362 29.547 ( 1.828 -7.132 -2.035) 7.638 29.767 ( -8.935 -4.985 1.561) 10.350 29.846 ( -0.981 1.781 -3.796) 4.306 30.033 ( -2.890 -6.360 6.350) 9.440 30.779 ( 3.618 -1.163 -3.771) 5.354 30.940 ( -2.580 -2.146 10.427) 10.954 31.714 ( 7.560 -1.879 5.208) 9.371 31.788 ( 7.275 6.890 -2.841) 10.415 ======================= Grid point 260 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 6.289 -12.139 -16.798) 21.658 1.509 ( 10.622 -6.241 -10.812) 16.391 1.734 ( 5.482 -8.256 4.117) 10.732 1.831 ( -1.120 -5.870 -0.152) 5.978 1.974 ( -0.321 -4.948 1.534) 5.190 2.083 ( 0.202 1.063 1.821) 2.118 2.198 ( -0.549 -1.146 3.668) 3.881 2.293 ( -3.446 -6.384 3.495) 8.053 2.365 ( -2.098 -5.067 -0.222) 5.489 2.462 ( -2.485 -4.516 6.732) 8.479 2.510 ( 6.009 -6.163 -4.246) 9.597 2.691 ( -1.116 -11.601 -7.678) 13.956 2.769 ( -2.136 -5.948 5.427) 8.330 3.063 ( -1.076 -3.826 3.818) 5.511 3.105 ( -2.278 -5.856 -1.844) 6.549 3.172 ( -1.716 -4.237 0.900) 4.659 3.458 ( -3.932 -3.801 -11.547) 12.777 3.500 ( 1.566 -4.890 -5.488) 7.516 3.614 ( -2.190 -0.671 -3.198) 3.933 3.680 ( -2.351 -0.126 -0.465) 2.400 3.726 ( 4.197 2.837 -10.119) 11.316 3.811 ( 2.289 -6.885 -1.459) 7.401 3.910 ( -2.392 -3.616 -0.825) 4.413 3.953 ( 3.923 -6.200 -4.849) 8.795 4.096 ( -2.304 -1.758 6.235) 6.875 4.263 ( -3.092 -6.461 5.835) 9.238 4.445 ( -0.231 -0.272 3.983) 3.999 4.645 ( -5.479 -5.375 0.586) 7.697 4.775 ( 1.651 -1.452 1.784) 2.832 4.824 ( 3.559 -5.727 -1.758) 6.968 4.888 ( 7.430 -1.055 0.918) 7.561 4.947 ( 1.795 0.513 -4.738) 5.093 5.075 ( -0.612 3.135 -0.945) 3.331 5.129 ( -0.099 0.589 7.645) 7.669 5.370 ( -12.076 1.025 6.559) 13.781 5.510 ( -7.182 -0.260 -0.157) 7.189 5.606 ( -1.389 4.262 -0.495) 4.510 5.908 ( 8.339 5.978 -6.052) 11.913 6.058 ( 0.513 2.018 6.526) 6.850 6.310 ( 7.188 4.450 0.059) 8.454 6.484 ( 9.301 1.688 -0.286) 9.457 6.547 ( 4.443 0.551 1.160) 4.625 6.700 ( 3.897 -3.678 -0.224) 5.363 6.940 ( -0.533 7.582 0.135) 7.602 7.152 ( 1.258 5.338 4.187) 6.900 7.367 ( -2.448 9.405 -3.670) 10.388 7.386 ( -5.375 0.810 -3.699) 6.575 7.698 ( -7.082 10.861 -2.175) 13.148 8.215 ( 0.979 3.347 -7.792) 8.537 8.511 ( -1.694 1.003 6.541) 6.831 8.639 ( -3.348 -0.355 7.010) 7.776 9.157 ( -2.160 8.404 -1.209) 8.761 9.249 ( -0.182 10.253 -0.770) 10.284 9.285 ( -1.776 2.317 -0.856) 3.042 9.651 ( -0.584 12.050 1.153) 12.119 9.846 ( -0.748 5.726 0.103) 5.776 10.219 ( 3.299 0.489 1.109) 3.515 10.491 ( 2.177 1.202 -0.719) 2.588 10.595 ( -1.923 -0.164 0.308) 1.954 10.730 ( -0.629 -3.980 0.767) 4.102 11.617 ( 0.842 -0.104 0.393) 0.935 11.715 ( 1.254 -2.628 4.664) 5.498 11.918 ( 1.715 0.842 -4.541) 4.926 12.075 ( 2.280 1.042 -0.765) 2.620 13.317 ( -2.706 -5.976 2.307) 6.954 13.379 ( 2.174 -4.763 -4.622) 6.983 14.020 ( -2.884 3.298 6.161) 7.560 14.063 ( 4.211 3.855 -5.057) 7.627 15.901 ( -0.510 0.717 0.104) 0.886 15.996 ( 1.822 2.068 -0.599) 2.821 16.238 ( 1.582 -0.398 0.805) 1.819 16.301 ( 2.019 -0.168 -0.822) 2.187 16.571 ( -1.819 0.160 -0.448) 1.881 16.713 ( 0.325 -2.121 -2.532) 3.319 16.741 ( 0.057 -0.260 0.944) 0.981 16.862 ( -1.251 -1.413 2.160) 2.868 17.270 ( -0.149 1.668 -1.710) 2.393 17.402 ( -0.522 -0.157 0.958) 1.103 17.523 ( -0.651 -2.821 1.909) 3.468 17.634 ( -0.231 -3.278 3.051) 4.485 27.617 ( 0.653 -2.510 -2.798) 3.815 27.711 ( -0.984 -1.244 -2.301) 2.795 27.784 ( 0.823 0.334 2.860) 2.995 27.861 ( -0.688 -0.146 2.807) 2.894 28.839 ( -1.816 8.533 -0.804) 8.762 29.023 ( -0.887 3.766 -4.818) 6.179 29.170 ( 0.997 3.421 -4.854) 6.022 29.333 ( -1.726 2.049 -4.789) 5.488 29.645 ( 4.234 -1.065 -0.145) 4.368 29.725 ( -8.016 -4.396 -8.780) 12.675 29.895 ( 0.671 -4.690 3.440) 5.855 30.123 ( -4.608 -3.738 7.449) 9.524 30.849 ( 7.454 -3.148 -1.537) 8.236 31.023 ( -1.991 -3.698 10.072) 10.913 31.666 ( 5.151 11.373 -3.592) 12.991 31.821 ( 3.251 -2.285 4.356) 5.896 ======================= Grid point 261 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 9.172 -13.474 -5.662) 17.255 1.625 ( 9.253 -3.076 -3.671) 10.419 1.873 ( 0.964 -2.832 -1.500) 3.347 1.901 ( 1.820 -2.938 -0.679) 3.522 2.023 ( -1.444 -2.106 1.249) 2.842 2.105 ( 0.871 -0.132 4.705) 4.787 2.198 ( -0.526 -0.439 0.740) 1.008 2.336 ( -3.924 -1.954 -3.035) 5.332 2.449 ( -3.903 -7.072 3.991) 9.010 2.502 ( -1.663 0.660 2.860) 3.374 2.591 ( -1.718 -2.544 2.820) 4.168 2.753 ( -3.726 -3.113 -4.631) 6.710 2.899 ( 1.252 -3.905 0.256) 4.109 3.029 ( -6.948 -3.025 2.280) 7.913 3.199 ( 2.580 -3.441 1.235) 4.474 3.319 ( 4.047 -0.945 -2.819) 5.022 3.398 ( -6.758 -2.052 -7.056) 9.983 3.564 ( 5.784 -0.719 -0.264) 5.834 3.635 ( -1.110 -4.237 -8.865) 9.888 3.681 ( -0.457 -1.164 -0.273) 1.280 3.731 ( 4.822 -8.005 -8.498) 12.631 3.934 ( 2.061 -3.690 -0.661) 4.278 4.030 ( 4.000 -9.225 1.077) 10.112 4.042 ( 0.292 -8.659 -5.280) 10.146 4.140 ( -5.910 -4.734 6.139) 9.748 4.394 ( -3.332 -4.781 5.496) 8.011 4.547 ( 1.376 -8.395 5.170) 9.954 4.700 ( -3.972 -1.669 -3.449) 5.519 4.782 ( -1.442 -2.614 7.371) 7.952 4.866 ( 0.302 -0.645 -4.719) 4.773 4.936 ( 2.606 -1.533 -10.181) 10.621 4.981 ( 5.182 -3.237 1.790) 6.367 5.095 ( -0.400 -2.904 4.196) 5.119 5.168 ( -0.899 -2.352 0.957) 2.694 5.335 ( -3.682 -0.134 11.785) 12.348 5.455 ( -6.373 -0.152 -2.218) 6.750 5.540 ( -2.002 1.489 1.134) 2.740 5.857 ( 9.115 5.612 -5.693) 12.124 6.061 ( 0.032 1.445 8.428) 8.551 6.266 ( 1.826 3.124 -2.955) 4.672 6.487 ( 4.375 5.543 -1.078) 7.144 6.604 ( 7.205 -1.576 0.874) 7.427 6.719 ( -1.466 4.619 -0.377) 4.861 6.771 ( -2.333 7.265 -0.134) 7.631 7.045 ( 0.814 11.850 1.082) 11.927 7.165 ( -1.210 8.001 -2.631) 8.509 7.362 ( -5.302 -2.647 -2.073) 6.278 7.456 ( -1.793 10.079 -3.057) 10.684 8.193 ( 5.765 -0.605 -4.933) 7.612 8.496 ( -2.559 5.194 5.977) 8.321 8.617 ( -3.240 3.086 8.627) 9.718 8.991 ( -6.043 8.588 1.662) 10.632 9.050 ( 2.408 7.168 -3.881) 8.500 9.249 ( -3.069 0.778 -2.480) 4.022 9.492 ( 1.488 7.850 1.328) 8.099 9.758 ( -0.968 3.768 -0.776) 3.967 10.236 ( 3.996 1.479 0.310) 4.272 10.466 ( 1.937 2.288 -2.808) 4.107 10.592 ( -0.922 0.000 2.642) 2.798 10.776 ( -1.354 -2.156 0.266) 2.560 11.628 ( 0.641 0.023 1.234) 1.391 11.783 ( 0.871 -1.678 3.308) 3.810 11.887 ( 1.316 1.528 -3.011) 3.624 12.070 ( 0.881 0.445 -1.410) 1.721 13.415 ( -1.518 -6.428 1.383) 6.748 13.472 ( 0.854 -6.731 -3.131) 7.472 13.963 ( -1.479 4.425 4.032) 6.166 13.999 ( 2.464 4.453 -3.046) 5.931 15.891 ( -0.229 0.249 0.438) 0.554 15.975 ( 0.903 1.596 -0.386) 1.874 16.264 ( 1.014 -0.759 0.870) 1.537 16.302 ( 0.952 0.728 -1.155) 1.665 16.568 ( -0.277 -0.900 -0.226) 0.969 16.734 ( 1.364 -1.126 -3.017) 3.497 16.754 ( -1.012 -1.132 1.257) 1.971 16.875 ( -1.645 -0.585 1.517) 2.313 17.250 ( 0.540 0.542 -0.397) 0.862 17.404 ( -0.846 -0.253 0.222) 0.910 17.568 ( 0.198 -1.690 1.466) 2.247 17.679 ( -0.430 -1.233 1.537) 2.017 27.655 ( 0.633 -2.605 -1.821) 3.241 27.711 ( -0.874 -1.046 -1.889) 2.329 27.795 ( 0.316 0.521 2.567) 2.638 27.870 ( -0.590 -0.177 1.311) 1.449 28.720 ( -0.059 4.684 0.672) 4.733 28.965 ( -0.918 0.660 -1.048) 1.541 29.101 ( 0.202 2.581 -4.844) 5.492 29.258 ( -2.295 1.105 -6.271) 6.768 29.625 ( 0.546 3.462 2.330) 4.209 29.755 ( -1.082 -6.225 -10.857) 12.562 29.992 ( 0.999 -3.151 6.345) 7.154 30.163 ( -2.636 -0.535 7.432) 7.904 30.968 ( 5.809 -5.087 -1.752) 7.918 31.116 ( -1.083 -2.947 8.875) 9.414 31.479 ( 4.010 12.673 -3.921) 13.858 31.876 ( -1.140 -1.767 0.941) 2.304 ======================= Grid point 262 (125/140) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 8.415 0.224 0.520) 8.434 1.742 ( 3.883 -2.768 3.703) 6.037 1.906 ( 3.775 -2.698 0.452) 4.661 1.941 ( 1.133 -1.276 -1.224) 2.100 2.012 ( -1.843 2.177 1.012) 3.026 2.095 ( -0.194 3.538 3.996) 5.341 2.207 ( -1.967 -0.547 -3.637) 4.170 2.355 ( -0.764 -5.392 -2.972) 6.204 2.482 ( 0.405 0.700 1.334) 1.560 2.531 ( -6.006 -2.971 -1.013) 6.777 2.597 ( -3.628 -1.874 4.384) 5.991 2.735 ( -5.087 -2.926 -5.081) 7.762 2.916 ( 3.707 1.458 -1.166) 4.150 3.075 ( 0.190 -1.410 -0.093) 1.425 3.222 ( -1.696 0.876 -1.901) 2.694 3.270 ( -0.338 1.369 -6.007) 6.170 3.411 ( -5.010 -4.546 6.899) 9.662 3.584 ( 6.967 1.091 -5.236) 8.783 3.680 ( -0.039 -4.310 -1.524) 4.571 3.737 ( 2.590 -2.971 2.370) 4.599 3.851 ( 4.148 -5.296 -4.331) 8.001 3.973 ( -0.412 -0.137 3.979) 4.002 4.082 ( -1.355 -0.516 -3.461) 3.752 4.174 ( -0.294 -3.163 2.687) 4.160 4.323 ( -0.065 -10.876 -1.261) 10.949 4.399 ( -4.031 2.853 2.344) 5.467 4.574 ( -2.581 1.016 -2.720) 3.885 4.708 ( 0.108 0.068 -0.095) 0.159 4.842 ( -0.641 -0.136 -0.945) 1.149 4.895 ( 3.112 -3.747 4.192) 6.426 4.987 ( -0.487 -5.913 -5.501) 8.091 5.088 ( 2.419 -1.624 2.776) 4.025 5.103 ( -2.802 -0.308 1.351) 3.126 5.207 ( -0.411 -3.319 -2.773) 4.344 5.351 ( -1.887 3.578 -1.242) 4.232 5.460 ( -0.171 -5.667 6.812) 8.863 5.530 ( -0.365 1.214 4.724) 4.891 5.809 ( 8.346 5.536 -2.758) 10.388 6.101 ( -1.051 -0.746 4.482) 4.663 6.226 ( -1.473 -0.211 -4.447) 4.690 6.392 ( 1.080 4.955 -0.792) 5.133 6.560 ( -5.774 7.185 1.282) 9.306 6.656 ( 1.515 3.001 -3.004) 4.508 6.719 ( 5.990 -0.824 3.246) 6.862 6.843 ( -3.424 8.409 -1.771) 9.251 7.078 ( 0.515 1.863 0.613) 2.028 7.314 ( 0.787 0.807 -4.551) 4.689 7.388 ( -2.937 -1.302 0.821) 3.316 8.249 ( 4.097 -1.498 -2.441) 4.999 8.385 ( -1.074 5.415 3.695) 6.642 8.582 ( -0.676 3.471 6.559) 7.452 8.873 ( -3.169 0.082 -0.757) 3.259 8.992 ( 3.091 2.325 -1.568) 4.174 9.200 ( -5.884 -1.473 -3.669) 7.089 9.426 ( 2.773 3.197 1.556) 4.509 9.702 ( -1.834 1.002 -1.181) 2.400 10.240 ( 4.257 1.947 0.168) 4.684 10.429 ( 0.489 1.606 -2.404) 2.933 10.606 ( 0.229 -0.086 3.728) 3.736 10.783 ( -2.328 -0.698 -0.700) 2.529 11.637 ( 0.378 0.379 2.333) 2.393 11.787 ( 0.281 1.290 -4.702) 4.884 11.891 ( 0.825 -0.326 5.022) 5.100 12.060 ( -0.083 0.244 -1.932) 1.949 13.502 ( -0.347 -3.620 1.140) 3.811 13.561 ( 0.039 -4.196 -1.919) 4.614 13.901 ( 0.180 3.211 1.221) 3.440 13.938 ( 0.274 2.655 -0.577) 2.731 15.892 ( -0.054 -0.173 0.570) 0.598 15.953 ( -0.024 1.108 -0.959) 1.466 16.280 ( 0.353 0.057 -0.080) 0.366 16.288 ( 0.048 0.632 -0.275) 0.691 16.590 ( 1.234 -0.996 0.855) 1.802 16.742 ( 1.053 -0.351 -3.076) 3.270 16.768 ( -1.312 -0.705 1.901) 2.415 16.875 ( -1.239 -0.343 0.224) 1.305 17.254 ( 1.023 0.047 1.216) 1.590 17.398 ( -0.918 -0.202 -1.190) 1.516 17.594 ( 0.755 -0.214 1.180) 1.417 17.686 ( -0.797 0.146 -0.253) 0.849 27.689 ( 0.363 -1.422 -0.477) 1.543 27.716 ( -0.440 -1.081 -0.949) 1.504 27.795 ( -0.227 0.976 2.037) 2.270 27.866 ( -0.514 0.212 -1.061) 1.198 28.691 ( 2.180 1.014 2.776) 3.672 28.974 ( -0.792 -1.932 2.644) 3.369 29.042 ( -1.055 1.582 -4.073) 4.495 29.213 ( -1.668 -1.569 -6.833) 7.207 29.597 ( 0.174 1.804 3.616) 4.045 29.775 ( -1.306 -3.746 -10.371) 11.104 30.075 ( 1.502 -0.668 10.035) 10.169 30.182 ( 1.966 0.808 3.660) 4.233 31.058 ( -1.252 -3.218 -3.246) 4.739 31.161 ( -1.358 1.282 3.290) 3.783 31.325 ( 7.547 7.355 0.941) 10.580 31.869 ( -4.423 -0.331 -2.303) 4.998 ======================= Grid point 263 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 3.559 6.657 4.455) 8.765 1.717 ( 0.225 8.336 7.584) 11.272 1.909 ( -3.981 6.785 0.773) 7.905 1.942 ( 0.613 2.845 0.811) 3.021 1.998 ( 0.751 -2.127 -3.318) 4.012 2.111 ( 2.858 -1.857 4.416) 5.578 2.179 ( 0.091 0.310 -3.509) 3.524 2.403 ( -1.020 1.250 -2.271) 2.786 2.470 ( 0.526 -2.491 -8.317) 8.698 2.508 ( 1.838 -0.522 3.572) 4.051 2.650 ( -2.474 -2.574 -0.057) 3.570 2.713 ( -4.641 -1.455 -4.222) 6.440 2.914 ( 4.198 1.616 -0.227) 4.504 3.084 ( -1.193 -0.328 -1.304) 1.797 3.162 ( -1.314 -0.405 0.561) 1.485 3.278 ( -1.567 -3.157 -3.005) 4.632 3.474 ( -3.386 -1.955 9.714) 10.471 3.627 ( 3.668 -3.165 -5.138) 7.062 3.737 ( 3.191 -0.468 3.059) 4.445 3.804 ( 3.878 1.078 4.249) 5.853 3.916 ( 1.414 1.682 3.036) 3.748 4.002 ( 1.845 -1.103 -0.298) 2.170 4.044 ( -1.897 2.637 0.207) 3.255 4.140 ( 2.034 4.161 -5.238) 6.992 4.195 ( -5.272 11.233 0.642) 12.425 4.420 ( -9.238 -2.273 -2.746) 9.902 4.550 ( 4.130 3.297 -2.236) 5.738 4.675 ( -1.164 3.352 -2.163) 4.156 4.833 ( 0.782 0.526 2.251) 2.440 4.959 ( -1.190 3.071 1.585) 3.655 4.975 ( 0.587 1.539 -6.426) 6.634 5.043 ( -1.466 5.652 0.714) 5.882 5.105 ( 5.528 4.851 7.297) 10.360 5.201 ( 1.165 3.986 -1.954) 4.590 5.309 ( -2.283 -3.383 -3.582) 5.430 5.487 ( -8.633 -3.327 -0.776) 9.284 5.649 ( 10.766 -3.713 6.247) 12.989 5.790 ( 5.679 3.053 1.341) 6.585 6.035 ( -1.905 5.954 0.496) 6.271 6.185 ( -4.229 0.049 -4.353) 6.069 6.367 ( -0.084 2.106 -1.021) 2.342 6.480 ( -4.984 0.149 1.213) 5.132 6.647 ( -0.825 -4.726 -0.212) 4.802 6.724 ( -6.751 -5.026 0.094) 8.417 6.862 ( 10.570 -3.255 0.807) 11.089 7.111 ( -1.537 -5.229 1.191) 5.579 7.343 ( -1.688 -4.441 0.342) 4.763 7.412 ( 1.004 -4.822 -3.489) 6.036 8.249 ( -1.219 1.407 7.279) 7.514 8.362 ( 1.084 -0.637 -6.338) 6.461 8.621 ( 4.964 -2.748 5.363) 7.808 8.908 ( -2.122 -6.413 -3.012) 7.396 9.009 ( 3.146 -3.110 -0.782) 4.492 9.179 ( -5.436 -3.872 -2.776) 7.228 9.447 ( 4.744 -1.122 2.095) 5.305 9.684 ( -3.674 -2.159 -1.404) 4.487 10.243 ( 4.621 2.010 0.119) 5.040 10.398 ( -2.306 0.398 -1.080) 2.578 10.633 ( 1.088 -0.306 3.819) 3.983 10.761 ( -2.639 0.132 -1.839) 3.220 11.643 ( 0.051 0.814 3.116) 3.221 11.732 ( 0.061 1.911 -5.557) 5.877 11.930 ( 0.259 -0.250 5.911) 5.922 12.040 ( -0.833 0.396 -2.513) 2.677 13.520 ( 1.152 2.507 0.246) 2.769 13.564 ( -1.077 2.917 0.161) 3.113 13.897 ( 1.574 -1.982 -1.470) 2.927 13.925 ( -1.599 -1.691 1.302) 2.667 15.900 ( 0.102 -0.286 0.671) 0.737 15.932 ( -0.560 0.209 -1.291) 1.422 16.262 ( 0.846 1.401 -1.537) 2.245 16.284 ( -1.514 0.211 1.184) 1.934 16.624 ( 2.075 -0.411 2.080) 2.967 16.731 ( -0.142 0.217 -3.244) 3.254 16.778 ( -0.209 0.204 2.817) 2.832 16.867 ( -1.233 -0.071 -1.490) 1.935 17.276 ( 1.422 -0.365 2.798) 3.159 17.386 ( -0.795 -0.272 -2.566) 2.700 17.598 ( 0.977 1.128 0.887) 1.736 17.662 ( -1.154 1.257 -1.499) 2.271 27.696 ( -0.088 0.623 1.226) 1.378 27.731 ( -0.170 -1.183 -1.299) 1.765 27.782 ( -0.223 1.309 2.390) 2.734 27.846 ( -0.249 0.472 -2.971) 3.019 28.742 ( 4.097 -1.967 4.071) 6.102 28.994 ( -3.317 -0.440 -3.859) 5.107 29.039 ( 0.303 -3.535 5.724) 6.734 29.215 ( -1.148 -3.785 -6.992) 8.033 29.606 ( -0.360 0.016 6.240) 6.251 29.765 ( -1.375 -2.615 -10.118) 10.540 30.123 ( -0.404 3.133 15.870) 16.181 30.211 ( 7.808 0.045 -6.106) 9.912 30.983 ( -2.015 6.207 -0.465) 6.543 31.124 ( -6.074 -0.395 -1.681) 6.314 31.374 ( 10.627 -0.305 2.972) 11.039 31.792 ( -7.594 1.946 -4.212) 8.900 ======================= Grid point 264 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 1.251 8.102 6.136) 10.240 1.608 ( -0.850 8.616 6.615) 10.896 1.741 ( -2.288 9.026 1.998) 9.523 1.833 ( -3.646 6.009 -6.589) 9.634 2.052 ( 4.789 -0.963 -0.964) 4.979 2.132 ( -2.123 -0.219 -0.275) 2.152 2.158 ( 2.613 3.750 3.347) 5.666 2.276 ( -4.112 5.647 -6.028) 9.227 2.528 ( 1.778 3.507 5.840) 7.040 2.566 ( 5.589 -3.128 -1.709) 6.629 2.595 ( 2.371 5.749 -5.802) 8.505 2.684 ( -6.704 -1.810 -1.991) 7.223 2.930 ( 6.548 0.516 -1.389) 6.713 3.049 ( -8.538 0.643 1.006) 8.621 3.196 ( 3.958 1.808 2.014) 4.795 3.277 ( -1.357 2.212 -1.903) 3.218 3.536 ( 0.150 -2.489 8.604) 8.958 3.648 ( -2.818 -0.025 -5.174) 5.892 3.755 ( -0.624 5.771 8.940) 10.659 3.800 ( 1.430 6.807 -3.650) 7.856 3.805 ( 3.889 4.518 8.435) 10.329 3.935 ( -0.241 2.641 -7.784) 8.223 3.993 ( 3.372 5.810 1.318) 6.846 4.022 ( -1.603 6.240 3.508) 7.336 4.203 ( 3.163 -6.285 -2.065) 7.332 4.319 ( -5.667 2.327 -5.944) 8.536 4.427 ( 4.578 13.680 0.017) 14.426 4.538 ( -7.327 7.288 -3.522) 10.918 4.809 ( 3.196 4.972 -3.063) 6.657 4.849 ( -3.832 5.335 1.587) 6.758 4.906 ( 0.390 2.524 7.251) 7.687 4.991 ( -0.146 0.523 -8.034) 8.053 5.106 ( 2.191 2.603 6.051) 6.942 5.145 ( 1.816 3.442 0.672) 3.949 5.374 ( 1.998 -6.528 -0.860) 6.880 5.481 ( -5.933 -4.268 -4.684) 8.681 5.784 ( 8.245 -1.132 -0.298) 8.328 5.824 ( 2.216 -1.175 5.941) 6.449 5.976 ( 1.654 0.864 1.235) 2.238 6.114 ( -7.021 1.118 -3.080) 7.748 6.323 ( -0.561 1.505 -0.871) 1.827 6.384 ( -7.106 3.408 -1.134) 7.962 6.754 ( 2.179 -3.510 0.875) 4.223 6.807 ( -3.850 -5.262 0.118) 6.521 7.029 ( 9.514 -7.877 -0.977) 12.390 7.177 ( -7.981 -5.960 -0.326) 9.966 7.455 ( 0.515 -9.076 8.232) 12.264 7.544 ( 1.301 -11.826 -8.976) 14.903 8.300 ( -1.004 -3.331 10.515) 11.076 8.366 ( 1.666 -3.849 -8.247) 9.252 8.741 ( 7.455 -2.058 4.935) 9.174 8.940 ( -8.068 -4.375 -7.804) 12.048 9.166 ( 5.370 -10.068 2.631) 11.711 9.253 ( -2.556 -9.999 -0.922) 10.361 9.561 ( 7.105 -5.695 2.045) 9.332 9.698 ( -6.006 -5.224 -1.909) 8.186 10.253 ( 6.151 1.786 -0.046) 6.405 10.360 ( -6.076 0.121 -0.263) 6.083 10.665 ( 1.358 0.048 3.472) 3.728 10.723 ( -1.942 0.836 -2.806) 3.513 11.640 ( -0.254 1.345 3.340) 3.610 11.676 ( 0.124 2.010 -4.550) 4.976 11.958 ( 0.191 0.231 4.827) 4.836 12.010 ( -1.330 0.552 -2.987) 3.316 13.454 ( 2.057 6.097 -1.048) 6.520 13.473 ( -1.920 6.264 1.601) 6.745 13.956 ( 3.037 -3.915 -3.997) 6.366 13.970 ( -3.259 -3.918 3.697) 6.296 15.912 ( 0.624 -0.793 0.401) 1.085 15.929 ( -0.989 -1.150 -0.582) 1.624 16.240 ( 1.557 1.444 -1.172) 2.425 16.264 ( -2.417 0.845 0.901) 2.715 16.653 ( 2.300 0.303 2.345) 3.298 16.705 ( -1.049 0.491 -2.607) 2.853 16.785 ( 0.876 0.955 3.121) 3.380 16.839 ( -1.609 0.841 -2.896) 3.418 17.314 ( 1.477 -0.854 3.897) 4.254 17.371 ( -0.676 -0.486 -3.542) 3.639 17.582 ( 1.144 2.273 0.759) 2.655 17.615 ( -1.394 2.147 -1.803) 3.131 27.686 ( 0.062 1.636 2.646) 3.111 27.719 ( -0.648 0.946 -2.938) 3.154 27.785 ( 0.274 0.191 3.574) 3.589 27.823 ( -0.019 0.165 -3.674) 3.678 28.852 ( 5.038 -4.338 3.979) 7.748 28.972 ( -4.430 -3.027 -3.409) 6.356 29.145 ( 0.983 -4.517 7.225) 8.577 29.241 ( -1.546 -4.604 -7.272) 8.745 29.648 ( -0.578 -0.759 9.297) 9.345 29.744 ( -0.539 -1.698 -10.488) 10.638 30.127 ( -1.227 4.801 15.874) 16.629 30.207 ( 7.020 3.136 -12.890) 15.009 30.915 ( 3.354 2.962 4.847) 6.597 31.048 ( -5.987 2.289 -2.513) 6.885 31.481 ( 8.020 -2.257 -0.298) 8.337 31.654 ( -10.173 3.172 -3.020) 11.075 ======================= Grid point 265 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 4.023 7.630 -10.625) 13.686 1.466 ( -4.023 7.630 10.625) 13.686 1.638 ( -2.026 8.552 -12.534) 15.308 1.638 ( 2.026 8.552 12.534) 15.308 2.063 ( -5.986 5.698 -2.605) 8.665 2.063 ( 5.986 5.698 2.605) 8.665 2.154 ( -1.224 1.229 -5.510) 5.776 2.154 ( 1.224 1.229 5.510) 5.776 2.452 ( 3.021 8.539 -7.471) 11.741 2.452 ( -3.021 8.539 7.471) 11.741 2.595 ( 0.818 6.230 -12.045) 13.586 2.595 ( -0.818 6.230 12.045) 13.586 2.967 ( 0.184 3.572 -9.117) 9.794 2.967 ( -0.184 3.572 9.117) 9.794 3.164 ( 5.266 2.036 -3.768) 6.788 3.164 ( -5.266 2.036 3.768) 6.788 3.583 ( 3.852 1.528 -6.580) 7.776 3.583 ( -3.852 1.528 6.580) 7.776 3.738 ( 0.638 -1.008 -4.940) 5.082 3.738 ( -0.638 -1.008 4.940) 5.082 3.860 ( -3.670 7.808 0.049) 8.627 3.860 ( 3.670 7.808 -0.049) 8.627 3.903 ( -2.259 0.461 -2.420) 3.342 3.903 ( 2.259 0.461 2.420) 3.342 4.199 ( -5.010 9.592 -4.462) 11.705 4.199 ( 5.010 9.592 4.462) 11.705 4.387 ( -0.494 -3.525 -8.686) 9.387 4.387 ( 0.494 -3.525 8.686) 9.387 4.777 ( -1.759 0.989 0.255) 2.034 4.777 ( 1.759 0.989 -0.255) 2.034 4.915 ( -0.067 2.277 -9.959) 10.216 4.915 ( 0.067 2.277 9.959) 10.216 5.120 ( 1.979 0.288 -3.032) 3.632 5.120 ( -1.979 0.288 3.032) 3.632 5.505 ( 3.590 -5.531 -7.124) 9.707 5.505 ( -3.590 -5.531 7.124) 9.707 5.874 ( 0.852 -3.678 -3.856) 5.397 5.874 ( -0.852 -3.678 3.856) 5.397 6.005 ( -6.563 2.268 -3.090) 7.600 6.005 ( 6.563 2.268 3.090) 7.600 6.306 ( 1.921 0.838 -2.076) 2.950 6.306 ( -1.921 0.838 2.076) 2.950 6.765 ( -3.904 4.961 -3.707) 7.321 6.765 ( 3.904 4.961 3.707) 7.321 7.245 ( -2.371 -9.696 -2.429) 10.273 7.245 ( 2.371 -9.696 2.429) 10.273 7.680 ( -3.222 -9.439 -8.071) 12.830 7.680 ( 3.222 -9.439 8.071) 12.830 8.442 ( 2.350 -8.758 -10.092) 13.567 8.442 ( -2.350 -8.758 10.092) 13.567 8.872 ( -10.857 -1.868 -6.859) 12.977 8.872 ( 10.857 -1.868 6.859) 12.977 9.382 ( -5.441 -7.514 -0.941) 9.325 9.382 ( 5.441 -7.514 0.941) 9.325 9.752 ( -6.297 -8.805 -1.913) 10.993 9.752 ( 6.297 -8.805 1.913) 10.993 10.287 ( -6.966 1.363 -1.212) 7.201 10.287 ( 6.966 1.363 1.212) 7.201 10.678 ( 0.631 1.385 -4.165) 4.435 10.678 ( -0.631 1.385 4.165) 4.435 11.625 ( 0.772 2.010 -3.432) 4.052 11.625 ( -0.772 2.010 3.432) 4.052 11.976 ( -0.863 0.383 -3.301) 3.434 11.976 ( 0.863 0.383 3.301) 3.434 13.363 ( 3.115 5.510 -3.220) 7.102 13.363 ( -3.115 5.510 3.220) 7.102 14.023 ( 4.445 -3.278 -5.677) 7.921 14.023 ( -4.445 -3.278 5.677) 7.921 15.946 ( -0.740 -2.053 -0.522) 2.244 15.946 ( 0.740 -2.053 0.522) 2.244 16.231 ( 0.863 0.997 -1.966) 2.368 16.231 ( -0.863 0.997 1.966) 2.368 16.674 ( -1.977 0.398 -1.760) 2.677 16.674 ( 1.977 0.398 1.760) 2.677 16.789 ( -1.217 1.708 -3.399) 3.994 16.789 ( 1.217 1.708 3.399) 3.994 17.360 ( -0.681 -1.126 -3.687) 3.914 17.360 ( 0.681 -1.126 3.687) 3.914 17.553 ( -1.648 2.955 -1.050) 3.542 17.553 ( 1.648 2.955 1.050) 3.542 27.674 ( -0.312 1.700 -3.824) 4.196 27.674 ( 0.312 1.700 3.824) 4.196 27.805 ( -0.026 -0.181 -3.766) 3.771 27.805 ( 0.026 -0.181 3.766) 3.771 28.998 ( -3.615 -6.489 -3.334) 8.141 28.998 ( 3.615 -6.489 3.334) 8.141 29.265 ( -1.818 -4.126 -7.453) 8.711 29.265 ( 1.818 -4.126 7.453) 8.711 29.702 ( 0.188 0.449 -11.683) 11.693 29.702 ( -0.188 0.449 11.683) 11.693 30.094 ( 1.970 6.331 -12.410) 14.070 30.094 ( -1.970 6.331 12.410) 14.070 30.943 ( -4.105 2.919 -4.222) 6.572 30.943 ( 4.105 2.919 4.222) 6.572 31.561 ( 4.790 -1.854 -4.519) 6.841 31.561 ( -4.790 -1.854 4.519) 6.841 ======================= Grid point 269 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 6.430 -0.000 -15.799) 17.057 1.098 ( 6.419 -0.000 -28.675) 29.385 1.622 ( 9.904 -0.000 7.056) 12.161 1.680 ( -3.717 0.000 -2.891) 4.709 1.796 ( 5.547 -0.000 10.437) 11.819 1.997 ( -1.158 0.000 1.604) 1.978 2.122 ( 3.038 -0.000 -0.650) 3.107 2.238 ( 11.226 -0.000 -9.160) 14.489 2.240 ( -4.163 0.000 6.757) 7.937 2.317 ( -3.575 0.000 1.270) 3.794 2.389 ( 3.005 -0.000 -16.191) 16.467 2.546 ( 2.690 -0.000 7.064) 7.559 2.604 ( 4.419 -0.000 6.426) 7.799 2.902 ( -4.585 0.000 -2.462) 5.205 3.109 ( -2.735 0.000 -5.767) 6.382 3.188 ( -9.261 0.000 1.116) 9.328 3.343 ( -4.982 0.000 -5.546) 7.455 3.349 ( -8.291 0.000 1.568) 8.438 3.520 ( -1.639 0.000 -1.045) 1.944 3.635 ( -2.689 0.000 4.038) 4.851 3.712 ( 3.182 -0.000 -4.770) 5.734 3.835 ( -4.845 0.000 1.070) 4.962 3.892 ( -0.042 0.000 -0.483) 0.485 3.913 ( 5.904 -0.000 -6.522) 8.797 4.099 ( 3.174 -0.000 -5.761) 6.578 4.270 ( -4.911 0.000 -1.006) 5.013 4.350 ( 2.177 -0.000 3.873) 4.443 4.594 ( -6.263 0.000 -1.761) 6.506 4.653 ( -2.128 0.000 7.345) 7.647 4.740 ( 11.012 -0.000 -7.335) 13.231 4.902 ( 2.792 -0.000 4.361) 5.178 4.966 ( 2.239 -0.000 0.747) 2.360 5.120 ( 0.589 -0.000 8.232) 8.253 5.200 ( -2.181 0.000 -7.770) 8.070 5.407 ( -14.644 0.000 3.316) 15.015 5.469 ( -4.880 0.000 2.956) 5.705 5.770 ( 3.262 -0.000 3.909) 5.091 6.012 ( -4.071 0.000 -1.759) 4.435 6.126 ( 6.221 -0.000 -0.763) 6.268 6.328 ( 8.401 -0.000 -4.463) 9.513 6.526 ( 13.527 -0.000 0.997) 13.563 6.588 ( 9.731 -0.000 0.488) 9.744 6.639 ( 2.822 -0.000 8.795) 9.237 6.962 ( 7.684 -0.000 1.780) 7.887 7.317 ( -6.615 0.000 2.101) 6.940 7.354 ( -3.231 0.000 -3.699) 4.911 7.580 ( -4.224 0.000 -4.366) 6.075 7.853 ( -10.412 0.000 -3.333) 10.933 8.342 ( -9.364 0.000 -4.647) 10.454 8.533 ( -4.832 0.000 -0.671) 4.879 8.568 ( 2.199 -0.000 2.961) 3.688 9.312 ( 4.996 -0.000 4.996) 7.065 9.353 ( 1.013 -0.000 -1.770) 2.040 9.427 ( 1.264 -0.000 -1.719) 2.134 9.937 ( -3.457 0.000 0.694) 3.526 9.977 ( 0.022 -0.000 1.518) 1.518 10.280 ( 3.922 -0.000 0.889) 4.022 10.415 ( -2.954 0.000 3.165) 4.329 10.604 ( -4.257 0.000 4.272) 6.031 10.609 ( 1.458 -0.000 -4.341) 4.579 11.631 ( -0.327 0.000 4.439) 4.451 11.645 ( 3.563 -0.000 0.472) 3.594 11.924 ( 2.049 -0.000 -4.378) 4.833 12.107 ( 2.408 -0.000 -0.052) 2.409 13.206 ( -3.967 0.000 3.954) 5.601 13.325 ( 3.371 -0.000 -6.097) 6.967 14.077 ( -3.503 0.000 7.573) 8.344 14.132 ( 5.231 -0.000 -6.259) 8.157 15.921 ( 0.096 -0.000 0.404) 0.416 16.044 ( 2.780 -0.000 -2.094) 3.480 16.264 ( 2.959 -0.000 -1.411) 3.278 16.270 ( 1.955 -0.000 1.102) 2.244 16.627 ( -1.735 0.000 0.645) 1.851 16.629 ( -1.729 0.000 -1.180) 2.093 16.757 ( -0.800 0.000 3.628) 3.715 16.809 ( 0.639 -0.000 -0.731) 0.971 17.380 ( -1.895 0.000 1.202) 2.244 17.383 ( -0.749 0.000 -2.320) 2.438 17.470 ( -2.044 0.000 5.586) 5.948 17.476 ( 1.649 -0.000 0.246) 1.667 27.569 ( 0.721 -0.000 -3.386) 3.462 27.684 ( -1.179 0.000 -1.989) 2.312 27.791 ( 1.035 -0.000 2.566) 2.767 27.860 ( -0.992 0.000 3.090) 3.246 29.120 ( 0.442 -0.000 -9.499) 9.509 29.193 ( -1.261 0.000 0.472) 1.347 29.241 ( -1.990 0.000 -6.025) 6.345 29.326 ( 0.193 -0.000 0.878) 0.899 29.443 ( -3.788 0.000 -5.006) 6.278 29.598 ( -7.742 0.000 -8.907) 11.802 29.909 ( 2.009 -0.000 1.973) 2.816 29.959 ( -1.911 0.000 4.491) 4.881 30.807 ( 8.001 -0.000 -0.456) 8.014 30.968 ( -1.722 0.000 13.436) 13.545 31.792 ( 4.364 -0.000 10.634) 11.494 31.880 ( 6.748 -0.000 -6.814) 9.590 ======================= Grid point 270 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 11.216 -7.242 -15.437) 20.409 1.296 ( 7.430 -19.054 -14.428) 25.028 1.686 ( -3.678 -6.007 -1.020) 7.117 1.753 ( 10.740 -1.843 2.947) 11.289 1.928 ( 2.923 -3.296 4.549) 6.332 2.061 ( -1.158 -8.071 2.420) 8.505 2.118 ( -1.278 0.299 0.617) 1.450 2.249 ( -4.012 -2.460 2.257) 5.219 2.278 ( -2.694 -2.268 1.412) 3.794 2.372 ( -0.560 -7.057 0.239) 7.083 2.453 ( 15.156 -7.774 -12.908) 21.372 2.527 ( -1.507 2.355 0.545) 2.849 2.720 ( 1.540 -3.923 5.753) 7.131 2.929 ( -1.296 -6.316 -3.618) 7.394 3.074 ( -1.082 -2.060 0.799) 2.460 3.092 ( -10.371 1.278 2.215) 10.682 3.293 ( -2.517 -4.159 -9.074) 10.294 3.396 ( -3.832 -6.096 -1.726) 7.404 3.533 ( -0.610 -2.877 0.572) 2.996 3.667 ( 0.145 -3.479 -0.866) 3.588 3.711 ( -0.680 0.733 -5.082) 5.180 3.803 ( -1.776 -1.226 2.156) 3.050 3.833 ( 1.369 3.520 -3.195) 4.946 3.927 ( 4.385 -1.256 -5.039) 6.797 4.110 ( -0.955 0.135 0.173) 0.980 4.225 ( -0.451 0.745 1.540) 1.769 4.399 ( -2.741 -3.613 3.798) 5.916 4.560 ( -1.534 -1.066 -2.169) 2.863 4.708 ( -5.426 -5.465 5.410) 9.412 4.806 ( 9.223 -0.276 -5.643) 10.816 4.948 ( 6.523 0.247 0.107) 6.529 4.977 ( 1.937 1.523 2.644) 3.614 5.100 ( -3.180 2.180 -5.814) 6.976 5.166 ( 1.129 1.034 3.314) 3.650 5.320 ( -13.698 -0.201 11.321) 17.772 5.457 ( -3.351 -0.896 0.876) 3.578 5.706 ( -1.198 8.401 -0.240) 8.489 5.970 ( -1.454 0.535 -4.219) 4.495 6.146 ( 6.299 2.302 0.912) 6.768 6.382 ( 4.059 -0.933 -2.356) 4.785 6.595 ( 8.151 2.807 1.099) 8.690 6.648 ( 5.856 4.227 4.018) 8.265 6.705 ( 9.796 -1.993 0.056) 9.997 7.040 ( 3.207 0.193 -0.173) 3.218 7.188 ( -6.692 3.841 0.062) 7.716 7.344 ( -3.976 0.289 0.318) 4.000 7.454 ( -5.845 6.723 -5.398) 10.416 7.736 ( -7.642 3.268 -4.603) 9.500 8.248 ( -0.230 2.492 -1.400) 2.868 8.527 ( -0.500 -0.335 5.848) 5.879 8.628 ( -0.572 -1.995 5.481) 5.860 9.285 ( 1.590 7.275 -1.487) 7.594 9.335 ( 0.651 3.029 2.844) 4.206 9.372 ( -1.034 6.232 -5.258) 8.220 9.832 ( -2.209 8.955 1.782) 9.394 9.935 ( -1.220 5.343 0.197) 5.484 10.271 ( 3.799 1.807 1.628) 4.511 10.468 ( -1.487 -3.894 -0.617) 4.213 10.586 ( -2.033 -0.128 3.230) 3.819 10.650 ( -0.398 -4.359 -0.862) 4.461 11.637 ( 0.754 0.817 2.674) 2.896 11.705 ( 2.178 -2.510 2.953) 4.446 11.920 ( 2.213 0.203 -4.032) 4.604 12.105 ( 0.747 1.129 -1.386) 1.937 13.226 ( -3.290 -3.586 3.661) 6.090 13.322 ( 2.189 -1.287 -6.442) 6.925 14.073 ( -2.955 1.824 7.238) 8.028 14.123 ( 4.640 2.223 -6.040) 7.934 15.922 ( 0.853 1.146 1.623) 2.162 16.040 ( 2.351 1.734 -1.842) 3.454 16.262 ( 2.396 0.992 0.066) 2.594 16.307 ( 2.128 -0.774 -0.486) 2.316 16.574 ( -1.562 1.778 0.121) 2.370 16.657 ( -1.408 -2.670 -1.003) 3.181 16.753 ( 0.463 0.788 0.708) 1.156 16.831 ( -1.387 -2.002 1.100) 2.672 17.305 ( -0.214 3.413 -0.726) 3.496 17.397 ( -0.286 -0.330 -1.230) 1.305 17.488 ( -1.072 -2.100 4.832) 5.377 17.567 ( -0.413 -5.580 2.100) 5.976 27.574 ( 0.824 -1.589 -2.780) 3.306 27.671 ( -1.415 -0.947 -2.433) 2.970 27.810 ( 0.924 0.289 2.792) 2.955 27.866 ( -0.944 -0.034 2.612) 2.778 28.995 ( -1.177 11.646 -0.222) 11.708 29.050 ( 0.444 2.656 -8.579) 8.992 29.213 ( -1.531 5.551 -4.628) 7.388 29.313 ( -3.273 1.233 -6.558) 7.432 29.455 ( -2.259 -11.517 -6.494) 13.414 29.649 ( -2.233 -7.715 -0.368) 8.039 29.877 ( 3.003 2.182 0.936) 3.828 30.043 ( -3.175 -5.398 5.239) 8.165 30.891 ( 10.254 -0.822 0.821) 10.320 31.036 ( -1.238 -1.197 14.622) 14.723 31.833 ( 5.299 6.659 -7.977) 11.664 31.854 ( -0.265 0.821 8.811) 8.853 ======================= Grid point 271 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 14.332 -13.952 -2.751) 20.190 1.571 ( 7.987 -11.719 -7.450) 16.020 1.783 ( -3.087 -8.143 -2.078) 8.953 1.885 ( 9.026 -3.423 3.116) 10.143 1.963 ( -0.777 -0.324 0.545) 1.003 2.113 ( 1.534 -0.665 -0.899) 1.898 2.216 ( -3.590 -7.655 0.445) 8.466 2.227 ( -4.510 -0.245 -0.033) 4.517 2.340 ( -3.420 -2.859 5.880) 7.379 2.452 ( -4.036 -5.216 2.182) 6.947 2.553 ( 1.199 -3.006 -3.244) 4.583 2.617 ( -0.491 -6.160 -8.896) 10.832 2.805 ( 3.546 -5.838 3.107) 7.504 2.944 ( -8.855 -1.051 2.190) 9.182 3.107 ( -2.279 -8.778 5.507) 10.610 3.202 ( 0.768 -10.803 -6.831) 12.805 3.334 ( 2.910 -2.531 -5.318) 6.569 3.449 ( -0.455 -6.816 -7.697) 10.291 3.605 ( -0.517 -4.724 3.274) 5.771 3.656 ( 3.212 2.439 -3.832) 5.563 3.682 ( 4.058 0.345 -7.787) 8.787 3.848 ( -0.502 -4.892 2.896) 5.707 3.872 ( -0.451 -7.918 -1.947) 8.166 3.988 ( 7.860 -2.055 -4.566) 9.320 4.089 ( -7.452 -0.927 6.618) 10.009 4.280 ( -1.364 -6.151 4.449) 7.713 4.478 ( -1.378 -5.273 5.851) 7.996 4.596 ( 1.044 -4.214 -1.334) 4.542 4.752 ( -7.114 -3.636 2.125) 8.267 4.822 ( 3.731 0.342 -6.435) 7.446 4.915 ( 1.668 2.666 -10.649) 11.104 5.016 ( 2.978 0.318 5.412) 6.186 5.064 ( -1.264 -2.044 1.034) 2.616 5.148 ( -1.422 1.880 0.694) 2.457 5.319 ( -9.474 -2.363 12.072) 15.526 5.471 ( 3.318 -0.040 4.433) 5.537 5.551 ( -3.505 5.308 -3.313) 7.172 5.933 ( 1.655 0.947 -5.753) 6.061 6.154 ( 3.973 3.302 3.561) 6.275 6.353 ( 0.050 5.227 -1.267) 5.379 6.612 ( 4.334 2.648 0.494) 5.103 6.662 ( 11.903 2.534 -0.157) 12.171 6.776 ( 4.901 1.293 -0.753) 5.124 6.898 ( -3.880 10.774 1.291) 11.524 7.185 ( -3.379 2.907 -1.986) 4.880 7.228 ( -12.187 0.108 -2.665) 12.476 7.293 ( 1.795 6.874 0.248) 7.109 7.576 ( -2.953 7.836 -4.680) 9.593 8.247 ( 7.573 1.648 -0.204) 7.753 8.568 ( 0.767 1.256 7.422) 7.566 8.648 ( -5.293 0.108 7.492) 9.174 9.135 ( -3.424 11.266 -0.629) 11.792 9.179 ( 1.559 9.288 -5.450) 10.882 9.263 ( -3.124 4.843 -1.250) 5.897 9.665 ( 0.564 10.400 1.881) 10.584 9.820 ( -2.095 5.949 -0.949) 6.378 10.299 ( 4.984 0.849 1.263) 5.211 10.483 ( 0.556 -0.027 -3.784) 3.825 10.602 ( -1.065 -0.443 5.016) 5.147 10.713 ( -1.653 -3.841 -0.411) 4.202 11.648 ( 0.840 0.375 3.194) 3.324 11.772 ( 1.158 -2.094 1.403) 2.774 11.911 ( 2.020 0.969 -1.650) 2.782 12.078 ( 0.102 1.042 -2.575) 2.780 13.302 ( -2.142 -6.146 2.746) 7.064 13.359 ( 1.251 -5.049 -4.999) 7.214 14.040 ( -2.264 3.537 6.040) 7.357 14.076 ( 3.547 4.013 -5.100) 7.396 15.913 ( 0.833 1.568 1.742) 2.488 16.010 ( 1.000 2.309 -1.499) 2.929 16.272 ( 1.836 0.084 0.337) 1.868 16.317 ( 0.996 0.627 -0.850) 1.452 16.556 ( 0.206 -0.329 0.224) 0.448 16.683 ( -1.610 -2.588 -1.570) 3.429 16.755 ( 1.586 -0.016 -0.512) 1.667 16.851 ( -2.500 -1.366 1.693) 3.314 17.269 ( 1.087 1.243 0.019) 1.651 17.390 ( -1.091 -0.216 -0.934) 1.452 17.545 ( 0.040 -2.496 3.577) 4.362 17.644 ( -1.026 -3.282 1.018) 3.587 27.605 ( 0.843 -2.683 -1.946) 3.420 27.670 ( -1.387 -1.612 -1.903) 2.854 27.821 ( 0.514 0.628 2.337) 2.474 27.869 ( -0.882 0.052 1.444) 1.693 28.832 ( 0.655 7.756 1.530) 7.932 28.983 ( 0.897 2.313 -2.824) 3.759 29.103 ( -1.893 2.729 -6.360) 7.175 29.214 ( -4.548 1.027 -8.572) 9.758 29.590 ( 1.754 -6.656 -5.847) 9.031 29.701 ( -1.259 0.038 3.222) 3.460 29.937 ( 3.264 -5.241 0.255) 6.179 30.122 ( -4.895 -4.818 6.489) 9.449 30.990 ( 10.021 -0.487 0.349) 10.039 31.125 ( -1.252 -1.977 14.573) 14.760 31.682 ( 4.960 10.809 -8.756) 14.768 31.851 ( -4.205 0.679 3.405) 5.453 ======================= Grid point 272 (132/140) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 12.795 -11.827 3.259) 17.726 1.758 ( 8.010 -6.191 0.261) 10.127 1.872 ( 0.909 -5.516 0.778) 5.644 1.923 ( 2.536 3.021 -1.736) 4.309 2.042 ( 3.014 -2.896 2.377) 4.808 2.124 ( -1.725 0.113 -2.687) 3.195 2.197 ( -3.153 -1.183 -0.472) 3.401 2.246 ( -2.241 -1.490 1.140) 2.922 2.405 ( -4.671 -4.623 2.039) 6.881 2.481 ( -3.727 -0.383 -4.449) 5.816 2.542 ( -7.684 -2.217 2.499) 8.379 2.597 ( -3.767 -3.315 -6.000) 7.822 2.930 ( 1.420 -1.892 1.183) 2.645 2.995 ( -0.371 -7.554 1.226) 7.662 3.224 ( -0.275 -0.368 -2.634) 2.674 3.303 ( -0.072 -6.231 3.781) 7.289 3.321 ( 0.112 2.960 -4.082) 5.043 3.507 ( -2.410 -6.061 -9.429) 11.465 3.656 ( 4.986 -0.538 -2.034) 5.412 3.677 ( -0.360 -4.360 1.560) 4.645 3.789 ( 7.853 -6.868 -1.785) 10.585 3.969 ( -0.793 -7.891 -4.293) 9.018 3.993 ( 2.922 -3.806 -0.557) 4.831 4.111 ( -4.767 -4.284 6.010) 8.786 4.125 ( 5.058 -11.122 2.141) 12.404 4.363 ( -5.779 -3.976 2.946) 7.608 4.582 ( -0.247 1.140 0.115) 1.172 4.646 ( -2.454 -5.609 2.103) 6.473 4.801 ( -0.069 -2.927 -0.276) 2.940 4.839 ( -0.683 -7.683 -0.216) 7.716 4.872 ( 3.438 -2.049 -8.293) 9.208 5.031 ( -6.574 0.364 4.086) 7.749 5.120 ( -0.551 -4.164 0.318) 4.212 5.142 ( 5.872 -1.474 0.305) 6.062 5.317 ( -7.427 -1.518 0.684) 7.611 5.431 ( -3.142 2.568 0.199) 4.063 5.592 ( 6.411 -2.557 9.118) 11.436 5.905 ( 2.739 1.275 -6.748) 7.393 6.138 ( 0.174 3.219 6.352) 7.123 6.245 ( 0.798 5.536 -4.008) 6.881 6.536 ( 3.985 9.435 0.283) 10.247 6.680 ( -1.441 8.921 -0.573) 9.055 6.733 ( 3.276 4.810 -0.662) 5.857 6.764 ( 1.646 1.716 1.438) 2.779 6.975 ( -2.894 8.968 -3.126) 9.928 7.143 ( -5.362 4.504 0.699) 7.038 7.276 ( -0.778 -1.190 0.775) 1.619 7.412 ( -0.360 6.506 -4.729) 8.051 8.290 ( 8.999 1.424 -1.020) 9.168 8.501 ( -3.785 7.099 3.923) 8.950 8.666 ( -0.892 1.084 10.313) 10.408 8.908 ( -4.280 8.600 -1.711) 9.758 9.060 ( 2.453 5.172 -4.133) 7.060 9.145 ( -5.277 3.206 -2.882) 6.814 9.542 ( 2.792 6.820 2.147) 7.676 9.710 ( -3.163 3.692 -2.255) 5.359 10.321 ( 5.410 2.204 1.036) 5.933 10.452 ( 0.537 1.891 -3.631) 4.129 10.627 ( 0.101 -0.193 4.856) 4.861 10.737 ( -2.789 -1.767 -1.032) 3.459 11.666 ( 0.753 0.532 4.090) 4.193 11.782 ( 0.111 0.573 -4.568) 4.605 11.923 ( 1.717 0.072 4.477) 4.796 12.051 ( -0.318 0.414 -3.337) 3.378 13.412 ( -0.997 -6.814 2.203) 7.230 13.450 ( 0.482 -6.963 -3.370) 7.751 13.981 ( -1.059 4.638 3.656) 6.000 14.003 ( 1.776 4.665 -2.986) 5.816 15.905 ( 0.742 0.996 1.561) 1.995 15.970 ( -0.237 1.872 -1.659) 2.512 16.285 ( 0.837 0.040 0.266) 0.879 16.302 ( 0.227 1.024 -0.725) 1.275 16.585 ( 1.887 -1.509 0.905) 2.580 16.699 ( -2.034 -2.113 -2.270) 3.709 16.772 ( 1.879 -0.305 0.380) 1.941 16.853 ( -2.537 -0.738 0.740) 2.744 17.273 ( 1.774 0.230 1.380) 2.260 17.377 ( -1.652 -0.243 -1.583) 2.301 17.597 ( 0.882 -1.328 2.511) 2.974 17.671 ( -1.190 -1.038 -0.472) 1.648 27.652 ( 0.778 -2.803 -1.039) 3.089 27.682 ( -1.056 -1.800 -0.950) 2.292 27.820 ( 0.063 0.950 2.089) 2.296 27.862 ( -0.766 0.401 -0.515) 1.007 28.766 ( 2.750 3.640 4.109) 6.140 28.960 ( -0.655 0.564 0.780) 1.165 29.029 ( -1.759 0.741 -5.268) 5.603 29.140 ( -2.834 -0.645 -7.971) 8.485 29.633 ( 2.295 -0.021 -2.679) 3.527 29.699 ( -1.659 -0.456 0.063) 1.722 30.064 ( 4.481 -5.388 0.723) 7.045 30.188 ( -4.745 -3.547 7.364) 9.452 31.051 ( 6.761 1.313 -0.661) 6.919 31.195 ( -2.726 0.469 8.817) 9.241 31.514 ( 7.063 9.027 -3.824) 12.082 31.805 ( -6.652 -0.047 -2.022) 6.953 ======================= Grid point 273 (133/140) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 8.819 7.203 2.290) 11.614 1.831 ( 3.796 -0.294 2.829) 4.743 1.915 ( -2.816 -3.561 -0.021) 4.539 2.001 ( -1.156 4.359 -1.031) 4.626 2.033 ( 2.351 3.657 3.330) 5.476 2.058 ( -2.538 -3.705 1.566) 4.756 2.208 ( 6.477 -0.998 -0.533) 6.575 2.334 ( 1.894 -8.030 -3.195) 8.848 2.410 ( -7.662 0.767 -4.428) 8.883 2.423 ( -6.791 -5.762 -0.820) 8.944 2.577 ( -2.113 -3.247 4.950) 6.285 2.618 ( -1.677 -3.927 -4.283) 6.048 2.981 ( 4.509 -0.408 0.342) 4.540 3.054 ( -2.400 -1.605 -2.113) 3.578 3.181 ( 0.050 3.101 1.410) 3.407 3.226 ( -0.868 2.472 -3.988) 4.772 3.439 ( -1.406 -5.536 9.016) 10.673 3.530 ( -0.509 -4.801 -10.128) 11.220 3.738 ( 3.402 -4.189 1.938) 5.734 3.772 ( 1.048 -5.827 -1.629) 6.140 3.924 ( 4.574 -2.886 3.012) 6.191 4.008 ( -1.149 -0.584 -3.091) 3.349 4.061 ( 3.558 -1.641 2.674) 4.743 4.156 ( -4.248 -2.907 -0.342) 5.159 4.290 ( 1.149 1.104 -2.007) 2.563 4.340 ( -6.935 2.582 3.042) 8.001 4.576 ( 4.110 -2.224 0.139) 4.675 4.660 ( -3.512 -1.714 -2.609) 4.698 4.853 ( 3.061 -0.245 -0.282) 3.084 4.920 ( -4.060 -0.922 -0.963) 4.273 4.984 ( 2.846 -5.702 2.239) 6.755 5.028 ( -2.074 -6.552 -0.730) 6.911 5.182 ( 2.474 -2.889 -2.474) 4.538 5.241 ( 3.776 -1.538 2.024) 4.552 5.261 ( -2.941 2.124 1.522) 3.934 5.390 ( -6.831 -0.590 -1.125) 6.948 5.724 ( 8.162 -1.126 8.335) 11.720 5.864 ( 0.563 1.590 -4.701) 4.995 6.109 ( -2.259 3.361 5.132) 6.537 6.156 ( -0.157 3.168 -6.241) 7.001 6.435 ( 4.654 5.135 0.124) 6.931 6.505 ( -3.764 7.189 1.145) 8.195 6.639 ( 1.522 4.269 -3.594) 5.785 6.680 ( -7.628 5.657 2.017) 9.709 6.933 ( 9.617 0.849 1.061) 9.713 7.057 ( -4.697 0.931 0.362) 4.802 7.288 ( 0.572 -1.280 -0.007) 1.402 7.339 ( -2.224 -0.907 -3.164) 3.972 8.311 ( 4.234 2.643 1.403) 5.185 8.381 ( -2.162 4.554 -0.819) 5.107 8.683 ( 2.213 1.759 10.706) 11.073 8.808 ( -2.071 -0.472 -5.898) 6.269 9.005 ( 1.726 0.921 -1.066) 2.228 9.071 ( -5.072 -1.215 -3.158) 6.097 9.511 ( 5.047 2.244 3.177) 6.372 9.627 ( -4.802 0.977 -3.014) 5.753 10.326 ( 5.008 2.647 1.005) 5.753 10.398 ( -1.859 2.202 -2.109) 3.571 10.658 ( 1.327 -0.237 4.042) 4.261 10.723 ( -2.924 -0.543 -2.242) 3.725 11.679 ( 0.436 1.026 4.584) 4.718 11.735 ( -0.133 1.590 -5.635) 5.856 11.962 ( 1.026 -0.053 5.638) 5.731 12.024 ( -0.689 0.264 -4.037) 4.104 13.515 ( 0.060 -4.157 1.906) 4.574 13.538 ( -0.200 -4.380 -2.230) 4.919 13.918 ( 0.569 3.339 0.802) 3.481 13.932 ( -0.346 3.104 -0.503) 3.163 15.906 ( 0.510 0.429 1.487) 1.629 15.933 ( -0.594 1.086 -1.802) 2.186 16.282 ( 0.920 0.881 -1.232) 1.772 16.286 ( -0.833 0.578 0.993) 1.419 16.636 ( 2.359 -1.410 2.153) 3.492 16.698 ( -1.967 -1.243 -2.996) 3.793 16.796 ( 1.715 -0.151 1.738) 2.446 16.843 ( -2.217 -0.350 -0.945) 2.435 17.299 ( 2.010 -0.186 2.668) 3.346 17.357 ( -1.778 -0.303 -2.574) 3.143 17.625 ( 1.245 0.220 1.647) 2.076 17.661 ( -1.307 0.429 -1.277) 1.877 27.692 ( 0.429 -1.623 -0.071) 1.680 27.701 ( -0.484 -1.594 -0.414) 1.717 27.813 ( -0.122 1.124 2.504) 2.747 27.840 ( -0.400 0.731 -2.393) 2.534 28.788 ( 4.567 0.366 5.481) 7.144 28.922 ( -4.887 -0.234 -5.008) 7.002 29.035 ( 0.981 -1.782 4.499) 4.937 29.114 ( -1.335 -2.610 -7.483) 8.037 29.637 ( 1.050 0.547 2.662) 2.914 29.688 ( -1.318 -0.889 -4.246) 4.534 30.178 ( 4.448 -2.867 1.717) 5.563 30.229 ( -2.558 -1.430 4.186) 5.110 31.047 ( 3.918 3.241 -2.595) 5.708 31.115 ( -5.679 5.429 1.135) 7.938 31.511 ( 10.623 2.218 5.047) 11.969 31.723 ( -8.912 0.662 -5.047) 10.263 ======================= Grid point 274 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.741 8.678 -4.054) 9.607 1.747 ( -0.741 8.678 4.054) 9.607 1.886 ( -0.301 5.978 -5.824) 8.351 1.886 ( 0.301 5.978 5.824) 8.351 2.064 ( -3.189 -2.032 -4.616) 5.967 2.064 ( 3.189 -2.032 4.616) 5.967 2.292 ( -6.348 3.325 -5.624) 9.110 2.292 ( 6.348 3.325 5.624) 9.110 2.499 ( 3.750 -8.355 -3.414) 9.773 2.499 ( -3.750 -8.355 3.414) 9.773 2.626 ( 0.858 -0.014 -6.538) 6.594 2.626 ( -0.858 -0.014 6.538) 6.594 3.007 ( -3.589 1.767 -1.415) 4.243 3.007 ( 3.589 1.767 1.415) 4.243 3.205 ( -2.956 -3.193 -2.535) 5.035 3.205 ( 2.956 -3.193 2.535) 5.035 3.555 ( 0.204 -3.514 -10.531) 11.104 3.555 ( -0.204 -3.514 10.531) 11.104 3.832 ( 0.212 -1.979 -6.200) 6.512 3.832 ( -0.212 -1.979 6.200) 6.512 3.964 ( 0.558 3.340 -6.387) 7.229 3.964 ( -0.558 3.340 6.387) 7.229 4.106 ( -0.547 5.271 -3.296) 6.241 4.106 ( 0.547 5.271 3.296) 6.241 4.221 ( -8.868 1.874 -2.270) 9.344 4.221 ( 8.868 1.874 2.270) 9.344 4.620 ( -0.368 4.139 -3.286) 5.297 4.620 ( 0.368 4.139 3.286) 5.297 4.883 ( -0.089 0.006 -3.367) 3.368 4.883 ( 0.089 0.006 3.367) 3.368 5.010 ( 3.746 6.176 -3.477) 8.016 5.010 ( -3.746 6.176 3.477) 8.016 5.211 ( 1.100 3.406 -3.494) 5.002 5.211 ( -1.100 3.406 3.494) 5.002 5.325 ( -5.052 -3.685 -6.766) 9.213 5.325 ( 5.052 -3.685 6.766) 9.213 5.824 ( 2.250 -0.336 -6.709) 7.084 5.824 ( -2.250 -0.336 6.709) 7.084 6.062 ( -2.906 2.990 -5.985) 7.294 6.062 ( 2.906 2.990 5.985) 7.294 6.399 ( -3.443 4.303 0.082) 5.511 6.399 ( 3.443 4.303 -0.082) 5.511 6.655 ( -1.780 -6.830 -0.379) 7.068 6.655 ( 1.780 -6.830 0.379) 7.068 7.032 ( -7.934 -3.287 -1.505) 8.719 7.032 ( 7.934 -3.287 1.505) 8.719 7.360 ( 2.766 -5.706 -9.358) 11.304 7.360 ( -2.766 -5.706 9.358) 11.304 8.312 ( 0.936 0.593 -7.775) 7.853 8.312 ( -0.936 0.593 7.775) 7.853 8.779 ( -4.985 -3.340 -8.520) 10.421 8.779 ( 4.985 -3.340 8.520) 10.421 9.076 ( -4.278 -5.780 -2.346) 7.564 9.076 ( 4.278 -5.780 2.346) 7.564 9.572 ( -6.655 -1.847 -3.144) 7.588 9.572 ( 6.655 -1.847 3.144) 7.588 10.331 ( -4.780 1.816 -0.802) 5.176 10.331 ( 4.780 1.816 0.802) 5.176 10.694 ( -1.200 -0.171 -4.137) 4.311 10.694 ( 1.200 -0.171 4.137) 4.311 11.683 ( -0.001 1.485 -4.719) 4.947 11.683 ( 0.001 1.485 4.719) 4.947 11.992 ( -0.749 0.387 -4.669) 4.745 11.992 ( 0.749 0.387 4.669) 4.745 13.543 ( -1.106 2.475 -0.484) 2.753 13.543 ( 1.106 2.475 0.484) 2.753 13.911 ( 1.791 -1.605 -1.647) 2.915 13.911 ( -1.791 -1.605 1.647) 2.915 15.912 ( -0.113 0.013 -1.474) 1.479 15.912 ( 0.113 0.013 1.474) 1.479 16.269 ( 1.630 1.041 -1.527) 2.464 16.269 ( -1.630 1.041 1.527) 2.464 16.682 ( -1.710 -0.419 -3.151) 3.610 16.682 ( 1.710 -0.419 3.151) 3.610 16.820 ( -1.280 0.211 -2.963) 3.235 16.820 ( 1.280 0.211 2.963) 3.235 17.335 ( -1.247 -0.476 -3.873) 4.096 17.335 ( 1.247 -0.476 3.873) 4.096 17.627 ( -1.242 1.451 -1.342) 2.334 17.627 ( 1.242 1.451 1.342) 2.334 27.712 ( -0.260 -0.140 -1.556) 1.584 27.712 ( 0.260 -0.140 1.556) 1.584 27.811 ( -0.072 0.699 -3.413) 3.485 27.811 ( 0.072 0.699 3.413) 3.485 28.869 ( -5.000 -1.747 -5.649) 7.744 28.869 ( 5.000 -1.747 5.649) 7.744 29.122 ( -1.196 -3.760 -7.520) 8.492 29.122 ( 1.196 -3.760 7.520) 8.492 29.670 ( 1.992 -1.150 -9.601) 9.873 29.670 ( -1.992 -1.150 9.601) 9.873 30.227 ( 6.072 1.082 -14.092) 15.383 30.227 ( -6.072 1.082 14.092) 15.383 31.010 ( 0.394 2.725 -5.729) 6.357 31.010 ( -0.394 2.725 5.729) 6.357 31.593 ( -9.398 2.085 -6.102) 11.397 31.593 ( 9.398 2.085 6.102) 11.397 ======================= Grid point 280 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 15.794 -0.000 -10.976) 19.233 1.071 ( 10.443 -0.000 -9.432) 14.073 1.558 ( -7.000 0.000 -4.545) 8.346 1.858 ( 10.808 -0.000 4.213) 11.600 1.958 ( 3.046 -0.000 5.835) 6.582 1.991 ( 0.540 -0.000 1.608) 1.696 2.132 ( 0.192 -0.000 2.220) 2.228 2.138 ( -11.048 0.000 -6.720) 12.932 2.260 ( -4.523 0.000 4.675) 6.505 2.265 ( 1.647 -0.000 -7.153) 7.340 2.476 ( 19.307 -0.000 -8.479) 21.087 2.624 ( -0.410 0.000 4.536) 4.554 2.652 ( -4.735 0.000 -0.015) 4.735 2.883 ( 2.289 -0.000 2.410) 3.323 2.985 ( -0.159 0.000 -12.307) 12.308 3.043 ( -14.196 0.000 5.648) 15.278 3.263 ( -1.718 0.000 0.053) 1.719 3.288 ( 0.359 -0.000 -1.076) 1.134 3.503 ( 3.964 -0.000 -4.578) 6.056 3.609 ( -3.398 0.000 1.518) 3.722 3.732 ( 3.002 -0.000 -4.248) 5.202 3.781 ( -4.673 0.000 3.791) 6.017 3.863 ( -1.401 0.000 -1.729) 2.225 3.923 ( 6.829 -0.000 -2.038) 7.127 4.073 ( -7.926 0.000 1.718) 8.110 4.263 ( 8.814 -0.000 -5.304) 10.286 4.369 ( -5.230 0.000 6.680) 8.483 4.545 ( 2.424 -0.000 -1.179) 2.695 4.622 ( -10.361 0.000 5.196) 11.591 4.867 ( 10.331 -0.000 -4.971) 11.464 4.986 ( 5.273 -0.000 -9.049) 10.473 5.027 ( 1.754 -0.000 5.302) 5.585 5.052 ( -3.671 0.000 -2.976) 4.726 5.206 ( 1.077 -0.000 -0.935) 1.427 5.277 ( -11.002 0.000 18.328) 21.377 5.434 ( -1.495 0.000 0.958) 1.776 5.788 ( -3.048 0.000 -1.433) 3.368 5.890 ( -5.665 0.000 -7.119) 9.098 6.210 ( 5.881 -0.000 -1.948) 6.196 6.380 ( 3.162 -0.000 -3.691) 4.860 6.696 ( -1.160 0.000 8.232) 8.314 6.744 ( 12.277 -0.000 0.005) 12.277 6.782 ( 10.318 -0.000 -0.641) 10.338 6.995 ( -2.169 0.000 -3.990) 4.542 7.208 ( -8.588 0.000 0.682) 8.615 7.316 ( -2.005 0.000 -0.810) 2.162 7.440 ( -4.040 0.000 -3.569) 5.391 7.685 ( -4.741 0.000 -4.135) 6.291 8.281 ( 2.144 -0.000 5.424) 5.832 8.572 ( 3.274 -0.000 9.164) 9.731 8.632 ( 0.014 -0.000 2.147) 2.147 9.353 ( -1.903 0.000 -10.358) 10.531 9.364 ( 2.620 -0.000 -2.037) 3.319 9.405 ( -1.382 0.000 3.944) 4.179 9.900 ( -2.345 0.000 2.738) 3.605 9.978 ( -0.893 0.000 -0.002) 0.893 10.344 ( 4.252 -0.000 -1.612) 4.547 10.388 ( -3.771 0.000 4.315) 5.731 10.590 ( -3.300 0.000 5.119) 6.090 10.596 ( 1.974 -0.000 -3.973) 4.436 11.671 ( -0.551 0.000 5.180) 5.209 11.705 ( 3.281 -0.000 -0.030) 3.281 11.925 ( 2.820 -0.000 -2.962) 4.090 12.102 ( -1.344 0.000 -2.170) 2.552 13.190 ( -3.077 0.000 4.439) 5.401 13.293 ( 1.209 -0.000 -7.301) 7.401 14.101 ( -2.822 0.000 7.537) 8.048 14.148 ( 4.446 -0.000 -6.472) 7.852 15.958 ( 1.471 -0.000 3.614) 3.902 16.065 ( 2.467 -0.000 -2.722) 3.674 16.295 ( 2.737 -0.000 -1.448) 3.096 16.310 ( 1.740 -0.000 0.860) 1.941 16.591 ( -1.699 0.000 -0.500) 1.771 16.607 ( -1.522 0.000 0.454) 1.588 16.771 ( -1.480 0.000 3.016) 3.359 16.798 ( 0.051 -0.000 -2.157) 2.158 17.354 ( 0.040 -0.000 -2.035) 2.035 17.363 ( -1.593 0.000 1.083) 1.926 17.497 ( -1.803 0.000 5.939) 6.207 17.509 ( 2.120 -0.000 -0.395) 2.157 27.555 ( 1.031 -0.000 -2.230) 2.456 27.638 ( -1.611 0.000 -2.444) 2.927 27.833 ( 0.865 -0.000 2.356) 2.509 27.870 ( -0.974 0.000 2.253) 2.455 29.024 ( 0.098 -0.000 -8.502) 8.503 29.161 ( -2.759 0.000 -5.603) 6.245 29.201 ( 0.108 -0.000 -1.329) 1.333 29.229 ( -4.540 0.000 -7.271) 8.572 29.351 ( 0.839 -0.000 2.296) 2.444 29.510 ( -0.012 0.000 -4.992) 4.992 29.957 ( 1.979 -0.000 0.590) 2.065 29.972 ( -1.891 0.000 4.390) 4.779 30.975 ( 11.415 -0.000 0.324) 11.419 31.087 ( -1.816 0.000 15.441) 15.547 31.885 ( 6.369 -0.000 -12.550) 14.074 31.899 ( -5.895 0.000 13.365) 14.607 ======================= Grid point 281 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 18.523 -9.122 2.611) 20.811 1.318 ( 8.828 -17.531 -7.196) 20.906 1.571 ( -7.019 -10.005 -2.704) 12.517 1.919 ( 1.395 0.400 3.540) 3.826 1.995 ( -4.675 -4.719 -4.215) 7.867 2.029 ( -4.460 -1.702 -4.584) 6.618 2.082 ( 5.636 -2.527 1.248) 6.302 2.174 ( 1.510 -2.489 2.443) 3.800 2.277 ( -3.775 -3.732 3.704) 6.473 2.347 ( 2.313 -9.438 -4.309) 10.629 2.493 ( -1.831 4.900 0.154) 5.233 2.588 ( 2.791 2.145 -3.647) 5.069 2.737 ( 2.147 -8.414 -1.864) 8.882 2.914 ( 0.188 0.865 0.429) 0.983 2.973 ( -7.373 -5.227 5.889) 10.787 3.007 ( -3.863 -6.849 -5.065) 9.353 3.277 ( 4.634 -3.472 -2.445) 6.286 3.331 ( -1.112 -3.945 -2.899) 5.021 3.555 ( 3.106 -2.390 0.004) 3.920 3.624 ( 1.188 -3.460 -4.229) 5.592 3.726 ( 4.753 0.827 -3.984) 6.257 3.776 ( -3.871 -1.999 4.661) 6.380 3.834 ( -1.943 0.926 0.675) 2.256 3.976 ( -0.517 -2.614 -5.179) 5.825 4.054 ( 1.127 -0.229 7.574) 7.660 4.270 ( 2.626 1.771 -0.535) 3.213 4.406 ( -2.966 -4.301 6.406) 8.266 4.578 ( 0.031 -2.332 2.179) 3.192 4.600 ( -5.754 -3.815 -1.164) 7.001 4.872 ( 2.258 3.675 -6.522) 7.819 4.921 ( 3.650 1.883 -10.827) 11.579 5.051 ( 1.696 0.266 0.906) 1.941 5.066 ( 0.592 0.394 5.578) 5.623 5.156 ( -6.310 1.526 -0.157) 6.494 5.313 ( -3.188 1.168 14.024) 14.430 5.467 ( 1.974 -3.082 2.178) 4.259 5.639 ( -2.906 7.693 -3.269) 8.850 5.865 ( -4.698 -3.336 -7.473) 9.436 6.238 ( 6.136 1.155 -1.728) 6.478 6.381 ( -1.539 0.271 -1.381) 2.085 6.691 ( 3.643 2.594 4.394) 6.269 6.814 ( 9.927 2.881 -0.252) 10.340 6.844 ( 7.637 1.632 -1.158) 7.895 6.996 ( -5.364 -2.749 -2.998) 6.732 7.071 ( -7.054 5.345 1.127) 8.922 7.227 ( -9.743 4.129 -3.520) 11.152 7.409 ( 3.940 3.712 2.256) 5.865 7.615 ( -3.319 2.850 -4.030) 5.948 8.342 ( 7.408 0.761 5.031) 8.987 8.622 ( -4.257 0.593 1.810) 4.664 8.660 ( 5.170 0.249 11.981) 13.052 9.210 ( -6.055 5.299 -14.485) 16.570 9.314 ( 3.513 6.854 -3.242) 8.356 9.354 ( -3.186 6.719 5.581) 9.298 9.835 ( -0.082 7.678 2.613) 8.111 9.909 ( -1.752 6.324 -0.733) 6.603 10.347 ( 3.407 0.138 1.680) 3.801 10.437 ( -1.009 -3.297 -1.137) 3.631 10.598 ( -1.258 -1.355 3.915) 4.330 10.634 ( -0.157 -3.632 -1.500) 3.933 11.682 ( 0.356 0.704 4.562) 4.629 11.748 ( 1.373 -1.961 -0.982) 2.587 11.936 ( 2.944 0.300 -0.428) 2.990 12.071 ( -1.882 0.445 -3.017) 3.583 13.219 ( -2.354 -3.478 4.418) 6.095 13.281 ( 1.081 -2.157 -6.633) 7.058 14.099 ( -2.637 2.011 7.037) 7.779 14.130 ( 3.803 2.251 -6.301) 7.697 15.969 ( 1.283 2.105 3.776) 4.510 16.048 ( 1.276 2.130 -2.897) 3.815 16.298 ( 2.167 0.902 -0.228) 2.358 16.328 ( 0.805 0.151 -0.243) 0.854 16.563 ( 0.141 0.667 0.313) 0.750 16.623 ( -2.043 -2.115 -0.510) 2.984 16.766 ( 1.061 0.186 -0.411) 1.153 16.810 ( -2.148 -1.783 0.702) 2.878 17.309 ( 0.939 2.328 0.414) 2.544 17.371 ( -1.049 -0.279 -1.541) 1.886 17.524 ( -0.617 -2.116 4.892) 5.365 17.572 ( 0.020 -4.358 -0.526) 4.390 27.569 ( 1.174 -1.567 -1.374) 2.392 27.624 ( -1.662 -1.195 -1.865) 2.769 27.845 ( 0.667 0.453 1.668) 1.852 27.871 ( -0.916 0.142 1.396) 1.676 28.973 ( 0.325 4.801 -1.738) 5.116 29.015 ( 1.674 4.469 -3.496) 5.915 29.140 ( -2.747 4.477 -3.755) 6.457 29.149 ( -3.577 3.558 -6.554) 8.271 29.469 ( 3.776 -9.065 0.249) 9.824 29.605 ( -2.904 -9.107 -1.132) 9.626 29.937 ( 3.571 0.975 0.354) 3.719 30.030 ( -3.529 -3.880 3.088) 6.087 31.069 ( 11.208 -0.549 -1.321) 11.299 31.155 ( -3.246 -1.386 15.167) 15.572 31.819 ( 6.679 6.302 -12.897) 15.832 31.872 ( -8.104 3.245 9.740) 13.079 ======================= Grid point 282 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 13.408 -11.149 3.607) 17.807 1.627 ( 4.187 -13.491 0.339) 14.129 1.721 ( 0.364 -12.539 0.482) 12.554 1.969 ( -4.233 -6.488 3.639) 8.559 1.981 ( -7.503 -5.427 -8.729) 12.726 2.039 ( -0.982 -2.494 -2.139) 3.429 2.153 ( 11.067 3.782 -0.792) 11.722 2.253 ( 0.267 -1.906 2.777) 3.379 2.338 ( -3.970 -4.059 3.991) 6.939 2.402 ( -4.024 -0.279 -4.828) 6.291 2.475 ( -6.081 0.601 1.551) 6.304 2.501 ( -0.579 -3.628 -5.524) 6.634 2.890 ( 0.830 -5.774 3.885) 7.008 2.914 ( 1.239 -1.638 -0.044) 2.054 3.121 ( -1.982 -11.116 2.940) 11.668 3.128 ( 0.373 -11.874 -3.678) 12.436 3.349 ( -0.379 -1.361 1.110) 1.797 3.374 ( 1.122 -3.871 -7.379) 8.408 3.633 ( 0.269 -2.750 3.986) 4.850 3.661 ( 2.380 -1.575 -4.076) 4.976 3.751 ( 7.179 -2.427 -3.531) 8.361 3.819 ( -2.931 -4.238 -2.001) 5.528 3.880 ( 3.260 -7.899 1.540) 8.683 3.987 ( -9.018 -5.934 2.219) 11.021 4.135 ( 9.064 -0.579 2.861) 9.523 4.269 ( -5.079 -1.715 1.145) 5.482 4.523 ( 0.385 -7.662 5.788) 9.610 4.607 ( -3.583 -2.251 -2.050) 4.702 4.671 ( 1.052 -6.477 2.549) 7.039 4.770 ( -2.610 1.447 -7.673) 8.233 4.900 ( 8.554 2.776 -4.419) 10.020 5.022 ( -9.098 3.071 4.175) 10.471 5.080 ( 1.523 -1.730 1.610) 2.812 5.124 ( -0.482 -2.197 -2.314) 3.227 5.314 ( -0.063 2.483 7.197) 7.613 5.432 ( -4.666 3.462 -6.378) 8.628 5.650 ( 6.683 -2.685 10.394) 12.646 5.838 ( -4.314 -2.605 -8.773) 10.117 6.243 ( 5.238 3.559 0.006) 6.333 6.316 ( -3.651 4.231 -0.038) 5.588 6.718 ( 7.025 4.147 2.449) 8.517 6.804 ( 4.616 6.353 -2.328) 8.191 6.824 ( 2.763 3.362 -1.966) 4.775 6.864 ( -2.792 8.714 2.200) 9.411 7.025 ( -6.523 1.073 -0.648) 6.642 7.072 ( -6.496 0.693 -1.905) 6.805 7.379 ( 4.303 5.849 4.498) 8.542 7.489 ( -2.874 6.378 -5.366) 8.817 8.405 ( 9.962 2.258 1.141) 10.278 8.552 ( -8.315 2.919 1.951) 9.026 8.751 ( 5.815 1.763 12.314) 13.732 8.982 ( -7.070 6.981 -10.992) 14.817 9.184 ( 4.346 9.258 -5.341) 11.538 9.211 ( -4.884 8.682 4.321) 10.859 9.706 ( 2.118 8.948 2.053) 9.421 9.765 ( -2.796 7.248 -1.729) 7.958 10.389 ( 3.914 0.221 1.911) 4.361 10.450 ( -0.908 -0.314 -2.766) 2.928 10.637 ( -0.117 -1.421 3.916) 4.168 10.675 ( -1.396 -2.665 -1.837) 3.525 11.703 ( 0.654 0.325 5.255) 5.305 11.760 ( -0.086 -0.438 -4.627) 4.649 11.962 ( 2.429 0.136 3.520) 4.278 12.033 ( -1.610 0.347 -3.859) 4.196 13.305 ( -1.402 -6.119 3.672) 7.272 13.328 ( 0.953 -5.712 -4.608) 7.400 14.062 ( -2.266 3.802 5.699) 7.216 14.076 ( 2.795 3.986 -5.338) 7.224 15.954 ( 1.179 2.512 2.912) 4.023 15.995 ( -0.321 2.680 -2.651) 3.784 16.299 ( 1.302 0.630 0.147) 1.454 16.316 ( -0.327 0.989 -0.451) 1.135 16.582 ( 2.281 -1.274 0.793) 2.731 16.634 ( -2.707 -2.087 -1.149) 3.606 16.782 ( 2.576 -0.616 -0.802) 2.768 16.819 ( -2.989 -1.205 1.043) 3.387 17.303 ( 2.022 0.651 1.403) 2.546 17.352 ( -1.892 0.053 -1.782) 2.599 17.586 ( 0.528 -2.489 3.483) 4.314 17.624 ( -0.925 -2.867 -1.696) 3.457 27.609 ( 1.194 -2.575 -0.521) 2.886 27.633 ( -1.467 -2.176 -0.922) 2.781 27.846 ( 0.475 0.791 1.280) 1.578 27.862 ( -0.778 0.532 -0.060) 0.944 28.890 ( 2.894 5.782 4.346) 7.790 28.997 ( -2.095 5.437 -4.303) 7.244 29.000 ( 0.604 -0.499 -0.650) 1.018 29.073 ( -3.181 0.024 -5.884) 6.688 29.615 ( 5.225 -4.067 -2.774) 7.179 29.675 ( -4.904 -2.570 2.486) 6.069 30.009 ( 5.955 -4.990 -1.463) 7.905 30.083 ( -6.108 -5.495 3.694) 9.009 31.145 ( 9.755 0.898 -2.542) 10.120 31.210 ( -5.733 -0.750 11.209) 12.612 31.690 ( 7.776 8.334 -8.178) 14.028 31.774 ( -8.538 3.944 3.376) 9.993 ======================= Grid point 283 (138/140) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 1.993 -7.922 -3.275) 8.801 1.795 ( -1.993 -7.922 3.275) 8.801 1.985 ( -3.325 -2.792 -4.628) 6.346 1.985 ( 3.325 -2.792 4.628) 6.346 2.047 ( -2.721 -3.147 -8.197) 9.193 2.047 ( 2.721 -3.147 8.197) 9.193 2.185 ( -4.118 -0.686 -6.294) 7.553 2.185 ( 4.118 -0.686 6.294) 7.553 2.366 ( -0.966 0.045 -2.599) 2.773 2.366 ( 0.966 0.045 2.599) 2.773 2.527 ( 0.195 -4.057 -4.267) 5.891 2.527 ( -0.195 -4.057 4.267) 5.891 2.974 ( -0.353 -3.735 -3.481) 5.118 2.974 ( 0.353 -3.735 3.481) 5.118 3.248 ( -1.755 -0.490 -3.153) 3.641 3.248 ( 1.755 -0.490 3.153) 3.641 3.389 ( -2.291 -4.221 -6.702) 8.245 3.389 ( 2.291 -4.221 6.702) 8.245 3.687 ( 1.242 -3.487 -2.717) 4.592 3.687 ( -1.242 -3.487 2.717) 4.592 3.891 ( -4.548 -7.023 -1.777) 8.554 3.891 ( 4.548 -7.023 1.777) 8.554 4.054 ( 4.089 -5.884 -5.137) 8.816 4.054 ( -4.089 -5.884 5.137) 8.816 4.263 ( -7.059 -5.367 -1.396) 8.977 4.263 ( 7.059 -5.367 1.396) 8.977 4.603 ( -0.830 0.620 -3.791) 3.930 4.603 ( 0.830 0.620 3.791) 3.930 4.812 ( 0.587 -9.088 -3.615) 9.798 4.812 ( -0.587 -9.088 3.615) 9.798 4.929 ( -0.881 -0.040 -1.731) 1.943 4.929 ( 0.881 -0.040 1.731) 1.943 5.158 ( -0.581 -3.973 -4.867) 6.310 5.158 ( 0.581 -3.973 4.867) 6.310 5.326 ( -5.385 1.114 -3.644) 6.597 5.326 ( 5.385 1.114 3.644) 6.597 5.796 ( -0.499 -2.126 -13.888) 14.058 5.796 ( 0.499 -2.126 13.888) 14.058 6.203 ( 3.309 5.221 -8.596) 10.587 6.203 ( -3.309 5.221 8.596) 10.587 6.628 ( -3.915 11.205 -2.974) 12.236 6.628 ( 3.915 11.205 2.974) 12.236 6.749 ( 1.414 6.119 -1.113) 6.378 6.749 ( -1.414 6.119 1.113) 6.378 7.021 ( -7.065 0.240 -0.020) 7.069 7.021 ( 7.065 0.240 0.020) 7.069 7.337 ( -0.078 4.738 -7.642) 8.992 7.337 ( 0.078 4.738 7.642) 8.992 8.425 ( -8.299 4.514 1.207) 9.524 8.425 ( 8.299 4.514 -1.207) 9.524 8.796 ( -3.430 3.960 -9.199) 10.586 8.796 ( 3.430 3.960 9.199) 10.586 9.065 ( 3.814 5.427 -2.705) 7.164 9.065 ( -3.814 5.427 2.705) 7.164 9.624 ( -3.866 5.042 -3.034) 7.041 9.624 ( 3.866 5.042 3.034) 7.041 10.407 ( -1.669 2.050 -3.190) 4.143 10.407 ( 1.669 2.050 3.190) 4.143 10.680 ( -0.842 -0.920 -3.737) 3.940 10.680 ( 0.842 -0.920 3.737) 3.940 11.725 ( -0.458 0.895 -5.730) 5.818 11.725 ( 0.458 0.895 5.730) 5.818 11.997 ( -1.292 0.052 -4.877) 5.045 11.997 ( 1.292 0.052 4.877) 5.045 13.426 ( 0.605 -7.032 -3.075) 7.698 13.426 ( -0.605 -7.032 3.075) 7.698 13.997 ( 2.083 4.724 -4.353) 6.753 13.997 ( -2.083 4.724 4.353) 6.753 15.940 ( -0.923 1.737 -2.284) 3.014 15.940 ( 0.923 1.737 2.284) 3.014 16.296 ( 0.508 0.723 -1.122) 1.428 16.296 ( -0.508 0.723 1.122) 1.428 16.638 ( -2.754 -1.916 -1.809) 3.812 16.638 ( 2.754 -1.916 1.809) 3.812 16.813 ( -2.621 -0.585 -0.128) 2.688 16.813 ( 2.621 -0.585 0.128) 2.688 17.326 ( -2.041 -0.089 -2.341) 3.107 17.326 ( 2.041 -0.089 2.341) 3.107 17.638 ( -1.113 -1.074 -2.179) 2.672 17.638 ( 1.113 -1.074 2.179) 2.672 27.661 ( -0.897 -2.510 -0.071) 2.667 27.661 ( 0.897 -2.510 0.071) 2.667 27.841 ( -0.110 0.905 -1.812) 2.029 27.841 ( 0.110 0.905 1.812) 2.029 28.876 ( -4.031 2.582 -6.223) 7.851 28.876 ( 4.031 2.582 6.223) 7.851 29.039 ( -1.145 -1.326 -5.365) 5.644 29.039 ( 1.145 -1.326 5.365) 5.644 29.664 ( 4.131 0.192 -5.255) 6.687 29.664 ( -4.131 0.192 5.255) 6.687 30.145 ( 4.943 -5.583 -6.359) 9.799 30.145 ( -4.943 -5.583 6.359) 9.799 31.159 ( -0.131 4.225 -2.529) 4.926 31.159 ( 0.131 4.225 2.529) 4.926 31.649 ( -4.356 2.769 -5.747) 7.725 31.649 ( 4.356 2.769 5.747) 7.725 ======================= Grid point 291 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 11.911 -0.000 -2.880) 12.254 1.345 ( 11.390 -0.000 2.728) 11.713 1.394 ( -1.250 0.000 2.768) 3.037 1.788 ( -17.956 0.000 -12.646) 21.962 1.941 ( -1.366 0.000 4.463) 4.668 1.976 ( -0.673 0.000 -2.841) 2.920 2.157 ( 6.472 -0.000 6.540) 9.202 2.181 ( 2.792 -0.000 -0.465) 2.831 2.246 ( 1.657 -0.000 -0.968) 1.919 2.267 ( 3.256 -0.000 -1.167) 3.459 2.548 ( -3.028 0.000 -3.441) 4.584 2.585 ( -7.651 0.000 0.773) 7.690 2.685 ( 11.210 -0.000 -0.622) 11.228 2.829 ( -5.088 0.000 -4.468) 6.771 2.923 ( -7.996 0.000 10.668) 13.332 2.947 ( 3.357 -0.000 -7.752) 8.448 3.270 ( -0.372 0.000 2.750) 2.775 3.285 ( 1.433 -0.000 -3.431) 3.718 3.567 ( 7.676 -0.000 -3.991) 8.651 3.598 ( 1.039 -0.000 -0.033) 1.040 3.732 ( 3.573 -0.000 -4.931) 6.089 3.753 ( -6.751 0.000 8.578) 10.916 3.829 ( -1.451 0.000 1.197) 1.881 3.896 ( -5.575 0.000 -4.496) 7.162 4.154 ( 12.767 -0.000 4.033) 13.388 4.331 ( -10.197 0.000 9.785) 14.133 4.341 ( 6.561 -0.000 -4.926) 8.204 4.451 ( -11.326 0.000 -1.582) 11.435 4.641 ( 6.660 -0.000 5.114) 8.397 4.826 ( -4.546 0.000 -12.985) 13.758 4.978 ( 8.501 -0.000 -1.429) 8.620 5.080 ( 3.529 -0.000 -2.047) 4.079 5.091 ( -1.034 0.000 4.531) 4.648 5.111 ( -9.177 0.000 1.609) 9.317 5.408 ( -0.063 0.000 15.633) 15.633 5.453 ( 3.905 -0.000 -2.037) 4.405 5.683 ( -3.907 0.000 -4.071) 5.643 5.717 ( -4.853 0.000 -8.562) 9.842 6.283 ( 5.895 -0.000 -1.772) 6.156 6.356 ( -3.023 0.000 -1.045) 3.199 6.764 ( 1.299 -0.000 7.230) 7.346 6.879 ( -4.871 0.000 -5.511) 7.355 6.904 ( 7.773 -0.000 -0.227) 7.776 6.931 ( 7.621 -0.000 -1.219) 7.718 7.093 ( -5.163 0.000 1.545) 5.390 7.168 ( -8.819 0.000 -2.993) 9.313 7.492 ( 4.914 -0.000 3.275) 5.906 7.593 ( -3.503 0.000 -3.378) 4.866 8.435 ( 7.081 -0.000 6.668) 9.726 8.586 ( -5.179 0.000 -2.712) 5.846 8.795 ( 8.593 -0.000 15.901) 18.074 9.110 ( -8.720 0.000 -17.655) 19.691 9.393 ( 3.710 -0.000 -2.763) 4.626 9.417 ( -3.217 0.000 4.384) 5.438 9.917 ( 0.369 -0.000 2.823) 2.847 9.952 ( -1.224 0.000 -1.464) 1.908 10.380 ( 3.498 -0.000 -3.769) 5.142 10.385 ( -2.828 0.000 5.040) 5.779 10.591 ( -2.751 0.000 4.732) 5.474 10.593 ( 2.404 -0.000 -4.031) 4.693 11.711 ( -1.072 0.000 5.392) 5.498 11.732 ( 2.081 -0.000 -3.464) 4.041 11.965 ( 3.346 -0.000 1.031) 3.501 12.038 ( -2.978 0.000 -2.984) 4.216 13.198 ( -1.905 0.000 5.573) 5.890 13.237 ( 0.960 -0.000 -6.920) 6.986 14.129 ( -2.890 0.000 7.229) 7.785 14.147 ( 3.556 -0.000 -6.830) 7.700 16.019 ( 0.618 -0.000 4.775) 4.815 16.060 ( 0.958 -0.000 -4.030) 4.142 16.323 ( 2.092 -0.000 -1.046) 2.338 16.333 ( -0.104 0.000 0.790) 0.797 16.574 ( -0.037 0.000 -0.017) 0.040 16.586 ( -1.374 0.000 0.136) 1.380 16.773 ( -1.563 0.000 2.631) 3.060 16.779 ( 0.773 -0.000 -2.693) 2.802 17.346 ( 0.918 -0.000 -1.475) 1.737 17.351 ( -1.297 0.000 1.160) 1.740 17.521 ( -2.097 0.000 5.192) 5.599 17.527 ( 2.263 -0.000 -3.063) 3.808 27.562 ( 1.433 -0.000 -0.419) 1.493 27.592 ( -1.681 0.000 -1.378) 2.174 27.860 ( 0.707 -0.000 0.766) 1.042 27.871 ( -0.841 0.000 0.914) 1.242 28.981 ( 0.887 -0.000 -1.535) 1.773 29.028 ( -2.045 0.000 -6.580) 6.890 29.195 ( -0.857 0.000 1.130) 1.418 29.196 ( 0.556 -0.000 -1.196) 1.319 29.397 ( 1.129 -0.000 3.751) 3.917 29.455 ( -0.845 0.000 -4.751) 4.825 29.980 ( 1.831 -0.000 -1.881) 2.625 29.982 ( -1.843 0.000 3.573) 4.020 31.134 ( 10.608 -0.000 -5.671) 12.028 31.175 ( -6.009 0.000 13.346) 14.636 31.866 ( 9.200 -0.000 -15.394) 17.934 31.888 ( -10.857 0.000 13.915) 17.650 ======================= Grid point 292 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -7.489 -13.703 0.451) 15.622 1.417 ( 7.489 -13.703 -0.451) 15.622 1.639 ( -18.629 -7.609 -11.030) 22.948 1.639 ( 18.629 -7.609 11.030) 22.948 1.967 ( -1.064 -1.589 -3.252) 3.772 1.967 ( 1.064 -1.589 3.252) 3.772 2.226 ( -2.630 -3.381 -1.328) 4.485 2.226 ( 2.630 -3.381 1.328) 4.485 2.306 ( -7.673 -2.689 -3.730) 8.945 2.306 ( 7.673 -2.689 3.730) 8.945 2.482 ( -2.507 3.759 -1.049) 4.638 2.482 ( 2.507 3.759 1.049) 4.638 2.844 ( -6.322 -6.214 -2.385) 9.180 2.844 ( 6.322 -6.214 2.385) 9.180 2.957 ( 3.484 -5.007 -6.745) 9.095 2.957 ( -3.484 -5.007 6.745) 9.095 3.306 ( 1.491 -3.012 -3.028) 4.524 3.306 ( -1.491 -3.012 3.028) 4.524 3.614 ( -0.915 -1.952 -1.787) 2.800 3.614 ( 0.915 -1.952 1.787) 2.800 3.758 ( 3.611 -1.435 -5.163) 6.462 3.758 ( -3.611 -1.435 5.163) 6.462 3.851 ( -4.467 -1.730 -3.095) 5.703 3.851 ( 4.467 -1.730 3.095) 5.703 4.232 ( -0.896 2.444 -6.520) 7.020 4.232 ( 0.896 2.444 6.520) 7.020 4.442 ( -1.373 -6.473 -6.811) 9.496 4.442 ( 1.373 -6.473 6.811) 9.496 4.720 ( -5.261 0.884 -8.645) 10.158 4.720 ( 5.261 0.884 8.645) 10.158 5.016 ( -7.559 3.030 0.963) 8.201 5.016 ( 7.559 3.030 -0.963) 8.201 5.089 ( 2.009 0.132 -2.911) 3.539 5.089 ( -2.009 0.132 2.911) 3.539 5.423 ( -1.922 3.513 -8.991) 9.842 5.423 ( 1.922 3.513 8.991) 9.842 5.697 ( -4.470 -3.304 -9.216) 10.763 5.697 ( 4.470 -3.304 9.216) 10.763 6.319 ( -0.308 0.743 -2.456) 2.585 6.319 ( 0.308 0.743 2.456) 2.585 6.817 ( -5.586 0.227 -4.778) 7.354 6.817 ( 5.586 0.227 4.778) 7.354 6.927 ( -3.054 2.886 -0.706) 4.261 6.927 ( 3.054 2.886 0.706) 4.261 7.062 ( -5.671 3.616 -2.569) 7.200 7.062 ( 5.671 3.616 2.569) 7.200 7.517 ( -4.141 3.424 -4.342) 6.908 7.517 ( 4.141 3.424 4.342) 6.908 8.512 ( -6.532 0.887 -3.812) 7.615 8.512 ( 6.532 0.887 3.812) 7.615 8.925 ( -8.826 2.794 -16.496) 18.917 8.925 ( 8.826 2.794 16.496) 18.917 9.342 ( 4.312 7.309 -4.515) 9.612 9.342 ( -4.312 7.309 4.515) 9.612 9.869 ( -1.442 7.129 -1.795) 7.492 9.869 ( 1.442 7.129 1.795) 7.492 10.405 ( 1.417 -1.861 -4.583) 5.146 10.405 ( -1.417 -1.861 4.583) 5.146 10.617 ( 1.633 -2.433 -3.935) 4.906 10.617 ( -1.633 -2.433 3.935) 4.906 11.730 ( 0.766 -0.344 -5.120) 5.189 11.730 ( -0.766 -0.344 5.120) 5.189 12.000 ( -2.862 0.022 -3.015) 4.157 12.000 ( 2.862 0.022 3.015) 4.157 13.239 ( 1.414 -3.031 -5.688) 6.599 13.239 ( -1.414 -3.031 5.688) 6.599 14.121 ( 3.055 2.173 -6.720) 7.695 14.121 ( -3.055 2.173 6.720) 7.695 16.022 ( -0.205 2.386 -4.052) 4.707 16.022 ( 0.205 2.386 4.052) 4.707 16.324 ( 0.094 0.819 -0.900) 1.220 16.324 ( -0.094 0.819 0.900) 1.220 16.585 ( -1.923 -0.935 -0.419) 2.179 16.585 ( 1.923 -0.935 0.419) 2.179 16.783 ( 1.271 -0.953 -2.059) 2.601 16.783 ( -1.271 -0.953 2.059) 2.601 17.337 ( -1.211 0.869 -1.372) 2.025 17.337 ( 1.211 0.869 1.372) 2.025 17.557 ( 0.802 -2.984 -3.705) 4.824 17.557 ( -0.802 -2.984 3.705) 4.824 27.586 ( -1.498 -1.419 -0.480) 2.118 27.586 ( 1.498 -1.419 0.480) 2.118 27.864 ( -0.291 0.403 -0.430) 0.657 27.864 ( 0.291 0.403 0.430) 0.657 28.989 ( -1.038 0.672 -2.123) 2.457 28.989 ( 1.038 0.672 2.123) 2.457 29.094 ( 0.604 7.609 -2.430) 8.011 29.094 ( -0.604 7.609 2.430) 8.011 29.539 ( -3.398 -8.961 -1.469) 9.695 29.539 ( 3.398 -8.961 1.469) 9.695 29.992 ( 1.498 -1.510 -2.808) 3.522 29.992 ( -1.498 -1.510 2.808) 3.522 31.185 ( 8.601 -1.155 -9.176) 12.630 31.185 ( -8.601 -1.155 9.176) 12.630 31.825 ( 10.225 5.183 -13.315) 17.570 31.825 ( -10.225 5.183 13.315) 17.570 =================== 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 3/46656 10.0 510.923 427.180 471.232 -0.000 45.153 -0.000 3/46656 20.0 92.920 97.033 93.671 -0.000 11.215 -0.000 3/46656 30.0 35.996 38.414 36.171 -0.000 4.143 -0.000 3/46656 40.0 19.249 20.619 19.342 -0.000 2.039 -0.000 3/46656 50.0 12.351 13.251 12.429 -0.000 1.203 -0.000 3/46656 60.0 8.861 9.515 8.930 -0.000 0.802 -0.000 3/46656 70.0 6.834 7.342 6.895 -0.000 0.581 -0.000 3/46656 80.0 5.538 5.951 5.591 -0.000 0.448 -0.000 3/46656 90.0 4.648 4.996 4.696 -0.000 0.361 -0.000 3/46656 100.0 4.004 4.305 4.046 -0.000 0.301 -0.000 3/46656 110.0 3.517 3.783 3.556 -0.000 0.257 -0.000 3/46656 120.0 3.138 3.376 3.174 -0.000 0.225 -0.000 3/46656 130.0 2.834 3.050 2.867 -0.000 0.199 -0.000 3/46656 140.0 2.586 2.783 2.617 -0.000 0.179 -0.000 3/46656 150.0 2.378 2.561 2.408 -0.000 0.162 -0.000 3/46656 160.0 2.203 2.373 2.232 -0.000 0.149 -0.000 3/46656 170.0 2.053 2.211 2.081 -0.000 0.137 -0.000 3/46656 180.0 1.922 2.072 1.950 -0.000 0.127 -0.000 3/46656 190.0 1.809 1.950 1.836 -0.000 0.119 -0.000 3/46656 200.0 1.708 1.842 1.735 -0.000 0.111 -0.000 3/46656 210.0 1.619 1.747 1.646 -0.000 0.105 -0.000 3/46656 220.0 1.539 1.661 1.566 -0.000 0.099 -0.000 3/46656 230.0 1.468 1.584 1.495 -0.000 0.094 -0.000 3/46656 240.0 1.403 1.515 1.430 -0.000 0.089 -0.000 3/46656 250.0 1.344 1.451 1.371 -0.000 0.085 -0.000 3/46656 260.0 1.290 1.394 1.318 -0.000 0.081 -0.000 3/46656 270.0 1.241 1.341 1.269 -0.000 0.078 -0.000 3/46656 280.0 1.196 1.292 1.224 -0.000 0.075 -0.000 3/46656 290.0 1.154 1.247 1.183 -0.000 0.072 -0.000 3/46656 300.0 1.115 1.206 1.144 -0.000 0.069 -0.000 3/46656 310.0 1.079 1.167 1.108 -0.000 0.067 -0.000 3/46656 320.0 1.045 1.131 1.075 -0.000 0.065 -0.000 3/46656 330.0 1.014 1.097 1.044 -0.000 0.062 -0.000 3/46656 340.0 0.985 1.065 1.015 -0.000 0.060 -0.000 3/46656 350.0 0.957 1.036 0.988 -0.000 0.059 -0.000 3/46656 360.0 0.931 1.008 0.962 -0.000 0.057 -0.000 3/46656 370.0 0.906 0.981 0.937 -0.000 0.055 -0.000 3/46656 380.0 0.883 0.957 0.914 -0.000 0.054 -0.000 3/46656 390.0 0.861 0.933 0.893 -0.000 0.052 -0.000 3/46656 400.0 0.841 0.911 0.872 -0.000 0.051 -0.000 3/46656 410.0 0.821 0.889 0.852 -0.000 0.050 -0.000 3/46656 420.0 0.802 0.869 0.834 -0.000 0.048 -0.000 3/46656 430.0 0.784 0.850 0.816 -0.000 0.047 -0.000 3/46656 440.0 0.767 0.831 0.799 -0.000 0.046 -0.000 3/46656 450.0 0.751 0.814 0.782 -0.000 0.045 -0.000 3/46656 460.0 0.735 0.797 0.767 -0.000 0.044 -0.000 3/46656 470.0 0.720 0.781 0.752 -0.000 0.043 -0.000 3/46656 480.0 0.706 0.765 0.737 -0.000 0.042 -0.000 3/46656 490.0 0.692 0.750 0.724 -0.000 0.041 -0.000 3/46656 500.0 0.679 0.736 0.710 -0.000 0.040 -0.000 3/46656 510.0 0.666 0.723 0.698 -0.000 0.040 -0.000 3/46656 520.0 0.654 0.709 0.685 -0.000 0.039 -0.000 3/46656 530.0 0.642 0.697 0.673 -0.000 0.038 -0.000 3/46656 540.0 0.631 0.684 0.662 -0.000 0.037 -0.000 3/46656 550.0 0.620 0.673 0.651 -0.000 0.037 -0.000 3/46656 560.0 0.610 0.661 0.640 -0.000 0.036 -0.000 3/46656 570.0 0.599 0.650 0.630 -0.000 0.035 -0.000 3/46656 580.0 0.590 0.639 0.620 -0.000 0.035 -0.000 3/46656 590.0 0.580 0.629 0.610 -0.000 0.034 -0.000 3/46656 600.0 0.571 0.619 0.601 -0.000 0.034 -0.000 3/46656 610.0 0.562 0.610 0.592 -0.000 0.033 -0.000 3/46656 620.0 0.553 0.600 0.583 -0.000 0.033 -0.000 3/46656 630.0 0.545 0.591 0.574 -0.000 0.032 -0.000 3/46656 640.0 0.537 0.582 0.566 -0.000 0.031 -0.000 3/46656 650.0 0.529 0.574 0.558 -0.000 0.031 -0.000 3/46656 660.0 0.521 0.565 0.550 -0.000 0.031 -0.000 3/46656 670.0 0.514 0.557 0.542 -0.000 0.030 -0.000 3/46656 680.0 0.506 0.550 0.535 -0.000 0.030 -0.000 3/46656 690.0 0.499 0.542 0.528 -0.000 0.029 -0.000 3/46656 700.0 0.493 0.535 0.521 -0.000 0.029 -0.000 3/46656 710.0 0.486 0.527 0.514 -0.000 0.028 -0.000 3/46656 720.0 0.479 0.520 0.507 -0.000 0.028 -0.000 3/46656 730.0 0.473 0.514 0.501 -0.000 0.028 -0.000 3/46656 740.0 0.467 0.507 0.494 -0.000 0.027 -0.000 3/46656 750.0 0.461 0.500 0.488 -0.000 0.027 -0.000 3/46656 760.0 0.455 0.494 0.482 -0.000 0.026 -0.000 3/46656 770.0 0.450 0.488 0.476 -0.000 0.026 -0.000 3/46656 780.0 0.444 0.482 0.471 -0.000 0.026 -0.000 3/46656 790.0 0.439 0.476 0.465 -0.000 0.025 -0.000 3/46656 800.0 0.433 0.470 0.460 -0.000 0.025 -0.000 3/46656 810.0 0.428 0.465 0.454 -0.000 0.025 -0.000 3/46656 820.0 0.423 0.459 0.449 -0.000 0.025 -0.000 3/46656 830.0 0.418 0.454 0.444 -0.000 0.024 -0.000 3/46656 840.0 0.413 0.449 0.439 -0.000 0.024 -0.000 3/46656 850.0 0.409 0.444 0.434 -0.000 0.024 -0.000 3/46656 860.0 0.404 0.439 0.429 -0.000 0.023 -0.000 3/46656 870.0 0.400 0.434 0.425 -0.000 0.023 -0.000 3/46656 880.0 0.395 0.429 0.420 -0.000 0.023 -0.000 3/46656 890.0 0.391 0.424 0.415 -0.000 0.023 -0.000 3/46656 900.0 0.387 0.420 0.411 -0.000 0.022 -0.000 3/46656 910.0 0.383 0.415 0.407 -0.000 0.022 -0.000 3/46656 920.0 0.379 0.411 0.403 -0.000 0.022 -0.000 3/46656 930.0 0.375 0.407 0.398 -0.000 0.022 -0.000 3/46656 940.0 0.371 0.402 0.394 -0.000 0.021 -0.000 3/46656 950.0 0.367 0.398 0.390 -0.000 0.021 -0.000 3/46656 960.0 0.363 0.394 0.387 -0.000 0.021 -0.000 3/46656 970.0 0.360 0.390 0.383 -0.000 0.021 -0.000 3/46656 980.0 0.356 0.387 0.379 -0.000 0.021 -0.000 3/46656 990.0 0.353 0.383 0.375 -0.000 0.020 -0.000 3/46656 1000.0 0.349 0.379 0.372 -0.000 0.020 -0.000 3/46656 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:59:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|