----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:35:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 7.654003565024232 -3.666880150000000 0.000000000000000 b 7.654003565024232 3.666880150000000 0.000000000000000 c -5.701006782817202 0.000000000000000 10.426772005648308 Atomic positions (fractional): *1 Pb 0.17664448199619 0.82335551800381 0.75000000000000 207.200 2 Pb 0.82335551800381 0.17664448199619 0.25000000000000 207.200 *3 Pb 0.66496650918004 0.94167971359403 0.82433564563626 207.200 4 Pb 0.05832028640597 0.33503349081996 0.67566435436374 207.200 5 Pb 0.33503349081996 0.05832028640597 0.17566435436374 207.200 6 Pb 0.94167971359403 0.66496650918004 0.32433564563626 207.200 *7 I 0.75960288733604 0.34342525327095 0.96824065354247 126.904 8 I 0.65657474672905 0.24039711266396 0.53175934645753 126.904 9 I 0.24039711266396 0.65657474672905 0.03175934645753 126.904 10 I 0.34342525327095 0.75960288733604 0.46824065354247 126.904 *11 Cl 0.43153544190820 0.32643964178660 0.72926690025161 35.453 12 Cl 0.67356035821340 0.56846455809180 0.77073309974839 35.453 13 Cl 0.56846455809180 0.67356035821340 0.27073309974839 35.453 14 Cl 0.32643964178660 0.43153544190820 0.22926690025161 35.453 *15 Cl 0.84601036026121 0.74131813819532 0.60490643744864 35.453 16 Cl 0.25868186180467 0.15398963973879 0.89509356255136 35.453 17 Cl 0.15398963973880 0.25868186180467 0.39509356255136 35.453 18 Cl 0.74131813819532 0.84601036026120 0.10490643744864 35.453 *19 O 0.91032244021320 0.07685823664159 0.87843482522386 15.999 20 O 0.92314176335841 0.08967755978680 0.62156517477614 15.999 21 O 0.08967755978680 0.92314176335841 0.12156517477614 15.999 22 O 0.07685823664159 0.91032244021320 0.37843482522386 15.999 *23 O 0.04292812865045 0.65433116479332 0.88329796452208 15.999 24 O 0.34566883520668 0.95707187134955 0.61670203547792 15.999 25 O 0.95707187134955 0.34566883520668 0.11670203547792 15.999 26 O 0.65433116479332 0.04292812865045 0.38329796452208 15.999 *27 O 0.36840917262811 0.71637892519761 0.97844380044468 15.999 28 O 0.28362107480239 0.63159082737189 0.52155619955532 15.999 29 O 0.63159082737189 0.28362107480240 0.02155619955532 15.999 30 O 0.71637892519761 0.36840917262811 0.47844380044468 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.308007130048464 0.000000000000000 0.000000000000000 b 0.000000000000000 7.333760300000000 0.000000000000000 c -5.701006782817202 0.000000000000000 10.426772005648308 Atomic positions (fractional): *1 Pb 0.00000000000000 0.82335551800381 0.75000000000000 207.200 > 1 2 Pb 0.00000000000000 0.17664448199619 0.25000000000000 207.200 > 2 *3 Pb 0.30332311138703 0.63835660220699 0.82433564563626 207.200 > 3 4 Pb 0.19667688861297 0.13835660220699 0.67566435436374 207.200 > 4 5 Pb 0.69667688861297 0.36164339779301 0.17566435436374 207.200 > 5 6 Pb 0.80332311138703 0.86164339779301 0.32433564563626 207.200 > 6 7 Pb 0.50000000000000 0.32335551800381 0.75000000000000 207.200 > 1 8 Pb 0.50000000000000 0.67664448199619 0.25000000000000 207.200 > 2 9 Pb 0.80332311138703 0.13835660220699 0.82433564563626 207.200 > 3 10 Pb 0.69667688861297 0.63835660220699 0.67566435436374 207.200 > 4 11 Pb 0.19667688861297 0.86164339779301 0.17566435436374 207.200 > 5 12 Pb 0.30332311138703 0.36164339779301 0.32433564563626 207.200 > 6 *13 I 0.05151407030350 0.29191118296745 0.96824065354247 126.904 > 7 14 I 0.94848592969650 0.29191118296745 0.53175934645753 126.904 > 8 15 I 0.94848592969650 0.70808881703255 0.03175934645753 126.904 > 9 16 I 0.05151407030350 0.70808881703255 0.46824065354247 126.904 > 10 17 I 0.55151407030350 0.79191118296745 0.96824065354247 126.904 > 7 18 I 0.44848592969650 0.79191118296745 0.53175934645753 126.904 > 8 19 I 0.44848592969650 0.20808881703255 0.03175934645753 126.904 > 9 20 I 0.55151407030350 0.20808881703255 0.46824065354247 126.904 > 10 *21 Cl 0.87898754184740 0.44745209993920 0.72926690025161 35.453 > 11 22 Cl 0.12101245815260 0.44745209993920 0.77073309974839 35.453 > 12 23 Cl 0.12101245815260 0.55254790006080 0.27073309974839 35.453 > 13 24 Cl 0.87898754184740 0.55254790006080 0.22926690025161 35.453 > 14 *25 Cl 0.29366424922827 0.44765388896706 0.60490643744864 35.453 > 15 26 Cl 0.20633575077173 0.94765388896706 0.89509356255136 35.453 > 16 27 Cl 0.70633575077174 0.55234611103294 0.39509356255136 35.453 > 17 28 Cl 0.79366424922826 0.05234611103294 0.10490643744864 35.453 > 18 29 Cl 0.37898754184740 0.94745209993920 0.72926690025161 35.453 > 11 30 Cl 0.62101245815260 0.94745209993920 0.77073309974839 35.453 > 12 31 Cl 0.62101245815260 0.05254790006080 0.27073309974839 35.453 > 13 32 Cl 0.37898754184740 0.05254790006080 0.22926690025161 35.453 > 14 33 Cl 0.79366424922826 0.94765388896706 0.60490643744864 35.453 > 15 34 Cl 0.70633575077174 0.44765388896706 0.89509356255136 35.453 > 16 35 Cl 0.20633575077173 0.05234611103294 0.39509356255136 35.453 > 17 36 Cl 0.29366424922827 0.55234611103294 0.10490643744864 35.453 > 18 *37 O 0.99359033842739 0.08326789821419 0.87843482522386 15.999 > 19 38 O 0.00640966157261 0.08326789821419 0.62156517477614 15.999 > 20 39 O 0.00640966157261 0.91673210178581 0.12156517477614 15.999 > 21 40 O 0.99359033842739 0.91673210178581 0.37843482522386 15.999 > 22 *41 O 0.34862964672188 0.30570151807143 0.88329796452208 15.999 > 23 42 O 0.15137035327812 0.80570151807143 0.61670203547792 15.999 > 24 43 O 0.65137035327812 0.69429848192857 0.11670203547792 15.999 > 25 44 O 0.84862964672188 0.19429848192856 0.38329796452208 15.999 > 26 *45 O 0.04239404891286 0.67398487628475 0.97844380044468 15.999 > 27 46 O 0.95760595108714 0.67398487628475 0.52155619955532 15.999 > 28 47 O 0.95760595108714 0.32601512371525 0.02155619955532 15.999 > 29 48 O 0.04239404891286 0.32601512371525 0.47844380044468 15.999 > 30 49 O 0.49359033842740 0.58326789821419 0.87843482522386 15.999 > 19 50 O 0.50640966157261 0.58326789821419 0.62156517477614 15.999 > 20 51 O 0.50640966157261 0.41673210178581 0.12156517477614 15.999 > 21 52 O 0.49359033842740 0.41673210178581 0.37843482522386 15.999 > 22 53 O 0.84862964672188 0.80570151807143 0.88329796452208 15.999 > 23 54 O 0.65137035327812 0.30570151807143 0.61670203547792 15.999 > 24 55 O 0.15137035327812 0.19429848192856 0.11670203547792 15.999 > 25 56 O 0.34862964672188 0.69429848192857 0.38329796452208 15.999 > 26 57 O 0.54239404891286 0.17398487628475 0.97844380044468 15.999 > 27 58 O 0.45760595108714 0.17398487628475 0.52155619955532 15.999 > 28 59 O 0.45760595108714 0.82601512371525 0.02155619955532 15.999 > 29 60 O 0.54239404891286 0.82601512371525 0.47844380044468 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.308007130048464 0.000000000000000 0.000000000000000 b 0.000000000000000 14.667520600000000 0.000000000000000 c -5.701006782817202 0.000000000000000 10.426772005648308 Atomic positions (fractional): *1 Pb 0.00000000000000 0.41167775900191 0.75000000000000 207.200 > 1 2 Pb 0.00000000000000 0.91167775900190 0.75000000000000 207.200 > 1 3 Pb 0.00000000000000 0.08832224099810 0.25000000000000 207.200 > 2 4 Pb 0.00000000000000 0.58832224099810 0.25000000000000 207.200 > 2 *5 Pb 0.30332311138703 0.31917830110350 0.82433564563626 207.200 > 3 6 Pb 0.30332311138703 0.81917830110350 0.82433564563626 207.200 > 3 7 Pb 0.19667688861297 0.06917830110350 0.67566435436374 207.200 > 4 8 Pb 0.19667688861297 0.56917830110350 0.67566435436374 207.200 > 4 9 Pb 0.69667688861297 0.18082169889650 0.17566435436374 207.200 > 5 10 Pb 0.69667688861297 0.68082169889650 0.17566435436374 207.200 > 5 11 Pb 0.80332311138703 0.43082169889650 0.32433564563626 207.200 > 6 12 Pb 0.80332311138703 0.93082169889650 0.32433564563626 207.200 > 6 13 Pb 0.50000000000000 0.16167775900191 0.75000000000000 207.200 > 1 14 Pb 0.50000000000000 0.66167775900190 0.75000000000000 207.200 > 1 15 Pb 0.50000000000000 0.33832224099809 0.25000000000000 207.200 > 2 16 Pb 0.50000000000000 0.83832224099810 0.25000000000000 207.200 > 2 17 Pb 0.80332311138703 0.06917830110350 0.82433564563626 207.200 > 3 18 Pb 0.80332311138703 0.56917830110350 0.82433564563626 207.200 > 3 19 Pb 0.69667688861297 0.31917830110350 0.67566435436374 207.200 > 4 20 Pb 0.69667688861297 0.81917830110350 0.67566435436374 207.200 > 4 21 Pb 0.19667688861297 0.43082169889650 0.17566435436374 207.200 > 5 22 Pb 0.19667688861297 0.93082169889650 0.17566435436374 207.200 > 5 23 Pb 0.30332311138703 0.18082169889650 0.32433564563626 207.200 > 6 24 Pb 0.30332311138703 0.68082169889650 0.32433564563626 207.200 > 6 *25 I 0.05151407030350 0.14595559148373 0.96824065354247 126.904 > 7 26 I 0.05151407030350 0.64595559148373 0.96824065354247 126.904 > 7 27 I 0.94848592969650 0.14595559148373 0.53175934645753 126.904 > 8 28 I 0.94848592969650 0.64595559148373 0.53175934645753 126.904 > 8 29 I 0.94848592969650 0.35404440851627 0.03175934645753 126.904 > 9 30 I 0.94848592969650 0.85404440851627 0.03175934645753 126.904 > 9 31 I 0.05151407030350 0.35404440851627 0.46824065354247 126.904 > 10 32 I 0.05151407030350 0.85404440851627 0.46824065354247 126.904 > 10 33 I 0.55151407030350 0.39595559148373 0.96824065354247 126.904 > 7 34 I 0.55151407030350 0.89595559148373 0.96824065354247 126.904 > 7 35 I 0.44848592969650 0.39595559148373 0.53175934645753 126.904 > 8 36 I 0.44848592969650 0.89595559148373 0.53175934645753 126.904 > 8 37 I 0.44848592969650 0.10404440851627 0.03175934645753 126.904 > 9 38 I 0.44848592969650 0.60404440851627 0.03175934645753 126.904 > 9 39 I 0.55151407030350 0.10404440851627 0.46824065354247 126.904 > 10 40 I 0.55151407030350 0.60404440851627 0.46824065354247 126.904 > 10 *41 Cl 0.87898754184740 0.22372604996960 0.72926690025161 35.453 > 11 42 Cl 0.87898754184740 0.72372604996960 0.72926690025161 35.453 > 11 43 Cl 0.12101245815260 0.22372604996960 0.77073309974839 35.453 > 12 44 Cl 0.12101245815260 0.72372604996960 0.77073309974839 35.453 > 12 45 Cl 0.12101245815260 0.27627395003040 0.27073309974839 35.453 > 13 46 Cl 0.12101245815260 0.77627395003040 0.27073309974839 35.453 > 13 47 Cl 0.87898754184740 0.27627395003040 0.22926690025161 35.453 > 14 48 Cl 0.87898754184740 0.77627395003040 0.22926690025161 35.453 > 14 *49 Cl 0.29366424922827 0.22382694448353 0.60490643744864 35.453 > 15 50 Cl 0.29366424922827 0.72382694448353 0.60490643744864 35.453 > 15 51 Cl 0.20633575077173 0.47382694448353 0.89509356255136 35.453 > 16 52 Cl 0.20633575077173 0.97382694448353 0.89509356255136 35.453 > 16 53 Cl 0.70633575077174 0.27617305551647 0.39509356255136 35.453 > 17 54 Cl 0.70633575077174 0.77617305551647 0.39509356255136 35.453 > 17 55 Cl 0.79366424922826 0.02617305551647 0.10490643744864 35.453 > 18 56 Cl 0.79366424922826 0.52617305551647 0.10490643744864 35.453 > 18 57 Cl 0.37898754184740 0.47372604996960 0.72926690025161 35.453 > 11 58 Cl 0.37898754184740 0.97372604996960 0.72926690025161 35.453 > 11 59 Cl 0.62101245815260 0.47372604996960 0.77073309974839 35.453 > 12 60 Cl 0.62101245815260 0.97372604996960 0.77073309974839 35.453 > 12 61 Cl 0.62101245815260 0.02627395003040 0.27073309974839 35.453 > 13 62 Cl 0.62101245815260 0.52627395003040 0.27073309974839 35.453 > 13 63 Cl 0.37898754184740 0.02627395003040 0.22926690025161 35.453 > 14 64 Cl 0.37898754184740 0.52627395003040 0.22926690025161 35.453 > 14 65 Cl 0.79366424922826 0.47382694448353 0.60490643744864 35.453 > 15 66 Cl 0.79366424922826 0.97382694448353 0.60490643744864 35.453 > 15 67 Cl 0.70633575077174 0.22382694448353 0.89509356255136 35.453 > 16 68 Cl 0.70633575077174 0.72382694448353 0.89509356255136 35.453 > 16 69 Cl 0.20633575077173 0.02617305551647 0.39509356255136 35.453 > 17 70 Cl 0.20633575077173 0.52617305551647 0.39509356255136 35.453 > 17 71 Cl 0.29366424922827 0.27617305551647 0.10490643744864 35.453 > 18 72 Cl 0.29366424922827 0.77617305551647 0.10490643744864 35.453 > 18 *73 O 0.99359033842739 0.04163394910710 0.87843482522386 15.999 > 19 74 O 0.99359033842739 0.54163394910710 0.87843482522386 15.999 > 19 75 O 0.00640966157261 0.04163394910710 0.62156517477614 15.999 > 20 76 O 0.00640966157261 0.54163394910710 0.62156517477614 15.999 > 20 77 O 0.00640966157261 0.45836605089290 0.12156517477614 15.999 > 21 78 O 0.00640966157261 0.95836605089290 0.12156517477614 15.999 > 21 79 O 0.99359033842739 0.45836605089290 0.37843482522386 15.999 > 22 80 O 0.99359033842739 0.95836605089290 0.37843482522386 15.999 > 22 *81 O 0.34862964672188 0.15285075903572 0.88329796452208 15.999 > 23 82 O 0.34862964672188 0.65285075903572 0.88329796452208 15.999 > 23 83 O 0.15137035327812 0.40285075903572 0.61670203547792 15.999 > 24 84 O 0.15137035327812 0.90285075903572 0.61670203547792 15.999 > 24 85 O 0.65137035327812 0.34714924096428 0.11670203547792 15.999 > 25 86 O 0.65137035327812 0.84714924096428 0.11670203547792 15.999 > 25 87 O 0.84862964672188 0.09714924096428 0.38329796452208 15.999 > 26 88 O 0.84862964672188 0.59714924096428 0.38329796452208 15.999 > 26 *89 O 0.04239404891286 0.33699243814237 0.97844380044468 15.999 > 27 90 O 0.04239404891286 0.83699243814237 0.97844380044468 15.999 > 27 91 O 0.95760595108714 0.33699243814237 0.52155619955532 15.999 > 28 92 O 0.95760595108714 0.83699243814237 0.52155619955532 15.999 > 28 93 O 0.95760595108714 0.16300756185763 0.02155619955532 15.999 > 29 94 O 0.95760595108714 0.66300756185763 0.02155619955532 15.999 > 29 95 O 0.04239404891286 0.16300756185763 0.47844380044468 15.999 > 30 96 O 0.04239404891286 0.66300756185763 0.47844380044468 15.999 > 30 97 O 0.49359033842740 0.29163394910710 0.87843482522386 15.999 > 19 98 O 0.49359033842740 0.79163394910710 0.87843482522386 15.999 > 19 99 O 0.50640966157261 0.29163394910710 0.62156517477614 15.999 > 20 100 O 0.50640966157261 0.79163394910710 0.62156517477614 15.999 > 20 101 O 0.50640966157261 0.20836605089290 0.12156517477614 15.999 > 21 102 O 0.50640966157261 0.70836605089290 0.12156517477614 15.999 > 21 103 O 0.49359033842740 0.20836605089290 0.37843482522386 15.999 > 22 104 O 0.49359033842740 0.70836605089290 0.37843482522386 15.999 > 22 105 O 0.84862964672188 0.40285075903572 0.88329796452208 15.999 > 23 106 O 0.84862964672188 0.90285075903572 0.88329796452208 15.999 > 23 107 O 0.65137035327812 0.15285075903572 0.61670203547792 15.999 > 24 108 O 0.65137035327812 0.65285075903572 0.61670203547792 15.999 > 24 109 O 0.15137035327812 0.09714924096428 0.11670203547792 15.999 > 25 110 O 0.15137035327812 0.59714924096428 0.11670203547792 15.999 > 25 111 O 0.34862964672188 0.34714924096428 0.38329796452208 15.999 > 26 112 O 0.34862964672188 0.84714924096428 0.38329796452208 15.999 > 26 113 O 0.54239404891286 0.08699243814237 0.97844380044468 15.999 > 27 114 O 0.54239404891286 0.58699243814237 0.97844380044468 15.999 > 27 115 O 0.45760595108714 0.08699243814237 0.52155619955532 15.999 > 28 116 O 0.45760595108714 0.58699243814237 0.52155619955532 15.999 > 28 117 O 0.45760595108714 0.41300756185763 0.02155619955532 15.999 > 29 118 O 0.45760595108714 0.91300756185763 0.02155619955532 15.999 > 29 119 O 0.54239404891286 0.41300756185763 0.47844380044468 15.999 > 30 120 O 0.54239404891286 0.91300756185763 0.47844380044468 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1847492 0.0000000 0.2057582 0.0000000 5.1711284 0.0000000 0.2057560 0.0000000 5.1423423 -------------------------- Born effective charges -------------------------- 1 Pb 3.4722044 0.0000000 -0.1514875 0.0000000 3.9432005 0.0000000 -0.5467605 0.0000000 3.7441702 2 Pb 3.4722044 0.0000000 -0.1514875 0.0000000 3.9432005 0.0000000 -0.5467605 0.0000000 3.7441702 3 Pb 3.9993537 -0.2871524 0.3680113 0.2373819 3.8415806 0.2035661 0.6088724 -0.3594988 3.2097700 4 Pb 3.9993537 0.2871524 0.3680113 -0.2373819 3.8415806 -0.2035661 0.6088724 0.3594988 3.2097700 5 Pb 3.9993537 -0.2871524 0.3680113 0.2373819 3.8415806 0.2035661 0.6088724 -0.3594988 3.2097700 6 Pb 3.9993537 0.2871524 0.3680113 -0.2373819 3.8415806 -0.2035661 0.6088724 0.3594988 3.2097700 7 I 3.6313492 -0.4792357 0.7553978 -0.4064016 3.7629324 -0.2880292 0.6026899 0.0436786 4.5276422 8 I 3.6313492 0.4792357 0.7553978 0.4064016 3.7629324 0.2880292 0.6026899 -0.0436786 4.5276422 9 I 3.6313492 -0.4792357 0.7553978 -0.4064016 3.7629324 -0.2880292 0.6026899 0.0436786 4.5276422 10 I 3.6313492 0.4792357 0.7553978 0.4064016 3.7629324 0.2880292 0.6026899 -0.0436786 4.5276422 11 Cl -2.1487112 0.0936205 -0.0722377 0.0928096 -1.9296966 0.5076437 -0.1725524 0.3482253 -1.4508820 12 Cl -2.1487112 -0.0936205 -0.0722377 -0.0928096 -1.9296966 -0.5076437 -0.1725524 -0.3482253 -1.4508820 13 Cl -2.1487112 0.0936205 -0.0722377 0.0928096 -1.9296966 0.5076437 -0.1725524 0.3482253 -1.4508820 14 Cl -2.1487112 -0.0936205 -0.0722377 -0.0928096 -1.9296966 -0.5076437 -0.1725524 -0.3482253 -1.4508820 15 Cl -2.0380551 0.1532038 0.1072070 0.0075680 -1.4553072 -0.1698580 0.1755113 -0.1525369 -1.6756850 16 Cl -2.0380551 -0.1532038 0.1072070 -0.0075680 -1.4553072 0.1698580 0.1755113 0.1525369 -1.6756850 17 Cl -2.0380551 0.1532038 0.1072070 0.0075680 -1.4553072 -0.1698580 0.1755113 -0.1525369 -1.6756850 18 Cl -2.0380551 -0.1532038 0.1072070 -0.0075680 -1.4553072 0.1698580 0.1755113 0.1525369 -1.6756850 19 O -1.5743641 0.3157118 -0.1522757 -0.1323811 -2.4046215 -0.8321123 -0.5133415 -1.3729700 -1.8080522 20 O -1.5743641 -0.3157118 -0.1522757 0.1323811 -2.4046215 0.8321123 -0.5133415 1.3729700 -1.8080522 21 O -1.5743641 0.3157118 -0.1522757 -0.1323811 -2.4046215 -0.8321123 -0.5133415 -1.3729700 -1.8080522 22 O -1.5743641 -0.3157118 -0.1522757 0.1323811 -2.4046215 0.8321123 -0.5133415 1.3729700 -1.8080522 23 O -1.3835992 0.5899639 -1.2814437 0.1226405 -1.8771983 0.4712851 -0.7822582 0.9716218 -2.7081960 24 O -1.3835992 -0.5899639 -1.2814437 -0.1226405 -1.8771983 -0.4712851 -0.7822582 -0.9716218 -2.7081960 25 O -1.3835992 0.5899639 -1.2814437 0.1226405 -1.8771983 0.4712851 -0.7822582 0.9716218 -2.7081960 26 O -1.3835992 -0.5899639 -1.2814437 -0.1226405 -1.8771983 -0.4712851 -0.7822582 -0.9716218 -2.7081960 27 O -2.2220754 -0.1305957 0.3510846 0.3275859 -1.9092897 -0.1645603 0.3544587 -0.1630729 -1.9666821 28 O -2.2220754 0.1305957 0.3510846 -0.3275859 -1.9092897 0.1645603 0.3544587 0.1630729 -1.9666821 29 O -2.2220754 -0.1305957 0.3510846 0.3275859 -1.9092897 -0.1645603 0.3544587 -0.1630729 -1.9666821 30 O -2.2220754 0.1305957 0.3510846 -0.3275859 -1.9092897 0.1645603 0.3544587 0.1630729 -1.9666821 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 18630/18630 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (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: 904 / 904 (1) 393 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4120), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (904, 889), data: False |-- (904, 11), data: (904, 26) @ (26, 11) |-- (404, 393), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.155 Solver_block: 200 / 960 - Time: 1.093 Solver_block: 300 / 960 - Time: 1.095 Solver_block: 400 / 960 - Time: 1.099 Solver_block: 500 / 960 - Time: 1.094 Solver_block: 600 / 960 - Time: 1.106 Solver_block: 700 / 960 - Time: 1.110 Solver_block: 800 / 960 - Time: 1.095 Solver_block: 900 / 960 - Time: 1.096 Solver_block: 960 / 960 - Time: 0.731 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.916 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 360/360 Permutation basis: 18630/18630 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (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: 904 / 904 (1) 393 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4120), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (904, 889), data: False |-- (904, 11), data: (904, 26) @ (26, 11) |-- (404, 393), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) 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 2026-01-09 04:36:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:36:14]------------------------- 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 7.654003565024232 -3.666880150000000 0.000000000000000 b 7.654003565024232 3.666880150000000 0.000000000000000 c -5.701006782817202 0.000000000000000 10.426772005648308 Atomic positions (fractional): 1 Pb 0.17664448199619 0.82335551800381 0.75000000000000 207.200 2 Pb 0.82335551800381 0.17664448199619 0.25000000000000 207.200 3 Pb 0.66496650918004 0.94167971359403 0.82433564563626 207.200 4 Pb 0.05832028640597 0.33503349081996 0.67566435436374 207.200 5 Pb 0.33503349081996 0.05832028640597 0.17566435436374 207.200 6 Pb 0.94167971359403 0.66496650918004 0.32433564563626 207.200 7 I 0.75960288733604 0.34342525327095 0.96824065354247 126.904 8 I 0.65657474672905 0.24039711266396 0.53175934645753 126.904 9 I 0.24039711266396 0.65657474672905 0.03175934645753 126.904 10 I 0.34342525327095 0.75960288733604 0.46824065354247 126.904 11 Cl 0.43153544190820 0.32643964178660 0.72926690025161 35.453 12 Cl 0.67356035821340 0.56846455809180 0.77073309974839 35.453 13 Cl 0.56846455809180 0.67356035821340 0.27073309974839 35.453 14 Cl 0.32643964178660 0.43153544190820 0.22926690025161 35.453 15 Cl 0.84601036026121 0.74131813819532 0.60490643744864 35.453 16 Cl 0.25868186180467 0.15398963973879 0.89509356255136 35.453 17 Cl 0.15398963973880 0.25868186180467 0.39509356255136 35.453 18 Cl 0.74131813819532 0.84601036026120 0.10490643744864 35.453 19 O 0.91032244021320 0.07685823664159 0.87843482522386 15.999 20 O 0.92314176335841 0.08967755978680 0.62156517477614 15.999 21 O 0.08967755978680 0.92314176335841 0.12156517477614 15.999 22 O 0.07685823664159 0.91032244021320 0.37843482522386 15.999 23 O 0.04292812865045 0.65433116479332 0.88329796452208 15.999 24 O 0.34566883520668 0.95707187134955 0.61670203547792 15.999 25 O 0.95707187134955 0.34566883520668 0.11670203547792 15.999 26 O 0.65433116479332 0.04292812865045 0.38329796452208 15.999 27 O 0.36840917262811 0.71637892519761 0.97844380044468 15.999 28 O 0.28362107480239 0.63159082737189 0.52155619955532 15.999 29 O 0.63159082737189 0.28362107480240 0.02155619955532 15.999 30 O 0.71637892519761 0.36840917262811 0.47844380044468 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.308007130048464 0.000000000000000 0.000000000000000 b 0.000000000000000 14.667520600000000 0.000000000000000 c -5.701006782817202 0.000000000000000 10.426772005648308 Atomic positions (fractional): 1 Pb 0.00000000000000 0.41167775900191 0.75000000000000 207.200 > 1 2 Pb 0.00000000000000 0.91167775900190 0.75000000000000 207.200 > 1 3 Pb 0.00000000000000 0.08832224099810 0.25000000000000 207.200 > 3 4 Pb 0.00000000000000 0.58832224099810 0.25000000000000 207.200 > 3 5 Pb 0.30332311138703 0.31917830110350 0.82433564563626 207.200 > 5 6 Pb 0.30332311138703 0.81917830110350 0.82433564563626 207.200 > 5 7 Pb 0.19667688861297 0.06917830110350 0.67566435436374 207.200 > 7 8 Pb 0.19667688861297 0.56917830110350 0.67566435436374 207.200 > 7 9 Pb 0.69667688861297 0.18082169889650 0.17566435436374 207.200 > 9 10 Pb 0.69667688861297 0.68082169889650 0.17566435436374 207.200 > 9 11 Pb 0.80332311138703 0.43082169889650 0.32433564563626 207.200 > 11 12 Pb 0.80332311138703 0.93082169889650 0.32433564563626 207.200 > 11 13 Pb 0.50000000000000 0.16167775900191 0.75000000000000 207.200 > 1 14 Pb 0.50000000000000 0.66167775900190 0.75000000000000 207.200 > 1 15 Pb 0.50000000000000 0.33832224099809 0.25000000000000 207.200 > 3 16 Pb 0.50000000000000 0.83832224099810 0.25000000000000 207.200 > 3 17 Pb 0.80332311138703 0.06917830110350 0.82433564563626 207.200 > 5 18 Pb 0.80332311138703 0.56917830110350 0.82433564563626 207.200 > 5 19 Pb 0.69667688861297 0.31917830110350 0.67566435436374 207.200 > 7 20 Pb 0.69667688861297 0.81917830110350 0.67566435436374 207.200 > 7 21 Pb 0.19667688861297 0.43082169889650 0.17566435436374 207.200 > 9 22 Pb 0.19667688861297 0.93082169889650 0.17566435436374 207.200 > 9 23 Pb 0.30332311138703 0.18082169889650 0.32433564563626 207.200 > 11 24 Pb 0.30332311138703 0.68082169889650 0.32433564563626 207.200 > 11 25 I 0.05151407030350 0.14595559148373 0.96824065354247 126.904 > 25 26 I 0.05151407030350 0.64595559148373 0.96824065354247 126.904 > 25 27 I 0.94848592969650 0.14595559148373 0.53175934645753 126.904 > 27 28 I 0.94848592969650 0.64595559148373 0.53175934645753 126.904 > 27 29 I 0.94848592969650 0.35404440851627 0.03175934645753 126.904 > 29 30 I 0.94848592969650 0.85404440851627 0.03175934645753 126.904 > 29 31 I 0.05151407030350 0.35404440851627 0.46824065354247 126.904 > 31 32 I 0.05151407030350 0.85404440851627 0.46824065354247 126.904 > 31 33 I 0.55151407030350 0.39595559148373 0.96824065354247 126.904 > 25 34 I 0.55151407030350 0.89595559148373 0.96824065354247 126.904 > 25 35 I 0.44848592969650 0.39595559148373 0.53175934645753 126.904 > 27 36 I 0.44848592969650 0.89595559148373 0.53175934645753 126.904 > 27 37 I 0.44848592969650 0.10404440851627 0.03175934645753 126.904 > 29 38 I 0.44848592969650 0.60404440851627 0.03175934645753 126.904 > 29 39 I 0.55151407030350 0.10404440851627 0.46824065354247 126.904 > 31 40 I 0.55151407030350 0.60404440851627 0.46824065354247 126.904 > 31 41 Cl 0.87898754184740 0.22372604996960 0.72926690025161 35.453 > 41 42 Cl 0.87898754184740 0.72372604996960 0.72926690025161 35.453 > 41 43 Cl 0.12101245815260 0.22372604996960 0.77073309974839 35.453 > 43 44 Cl 0.12101245815260 0.72372604996960 0.77073309974839 35.453 > 43 45 Cl 0.12101245815260 0.27627395003040 0.27073309974839 35.453 > 45 46 Cl 0.12101245815260 0.77627395003040 0.27073309974839 35.453 > 45 47 Cl 0.87898754184740 0.27627395003040 0.22926690025161 35.453 > 47 48 Cl 0.87898754184740 0.77627395003040 0.22926690025161 35.453 > 47 49 Cl 0.29366424922827 0.22382694448353 0.60490643744864 35.453 > 49 50 Cl 0.29366424922827 0.72382694448353 0.60490643744864 35.453 > 49 51 Cl 0.20633575077173 0.47382694448353 0.89509356255136 35.453 > 51 52 Cl 0.20633575077173 0.97382694448353 0.89509356255136 35.453 > 51 53 Cl 0.70633575077174 0.27617305551647 0.39509356255136 35.453 > 53 54 Cl 0.70633575077174 0.77617305551647 0.39509356255136 35.453 > 53 55 Cl 0.79366424922826 0.02617305551647 0.10490643744864 35.453 > 55 56 Cl 0.79366424922826 0.52617305551647 0.10490643744864 35.453 > 55 57 Cl 0.37898754184740 0.47372604996960 0.72926690025161 35.453 > 41 58 Cl 0.37898754184740 0.97372604996960 0.72926690025161 35.453 > 41 59 Cl 0.62101245815260 0.47372604996960 0.77073309974839 35.453 > 43 60 Cl 0.62101245815260 0.97372604996960 0.77073309974839 35.453 > 43 61 Cl 0.62101245815260 0.02627395003040 0.27073309974839 35.453 > 45 62 Cl 0.62101245815260 0.52627395003040 0.27073309974839 35.453 > 45 63 Cl 0.37898754184740 0.02627395003040 0.22926690025161 35.453 > 47 64 Cl 0.37898754184740 0.52627395003040 0.22926690025161 35.453 > 47 65 Cl 0.79366424922826 0.47382694448353 0.60490643744864 35.453 > 49 66 Cl 0.79366424922826 0.97382694448353 0.60490643744864 35.453 > 49 67 Cl 0.70633575077174 0.22382694448353 0.89509356255136 35.453 > 51 68 Cl 0.70633575077174 0.72382694448353 0.89509356255136 35.453 > 51 69 Cl 0.20633575077173 0.02617305551647 0.39509356255136 35.453 > 53 70 Cl 0.20633575077173 0.52617305551647 0.39509356255136 35.453 > 53 71 Cl 0.29366424922827 0.27617305551647 0.10490643744864 35.453 > 55 72 Cl 0.29366424922827 0.77617305551647 0.10490643744864 35.453 > 55 73 O 0.99359033842739 0.04163394910710 0.87843482522386 15.999 > 73 74 O 0.99359033842739 0.54163394910710 0.87843482522386 15.999 > 73 75 O 0.00640966157261 0.04163394910710 0.62156517477614 15.999 > 75 76 O 0.00640966157261 0.54163394910710 0.62156517477614 15.999 > 75 77 O 0.00640966157261 0.45836605089290 0.12156517477614 15.999 > 77 78 O 0.00640966157261 0.95836605089290 0.12156517477614 15.999 > 77 79 O 0.99359033842739 0.45836605089290 0.37843482522386 15.999 > 79 80 O 0.99359033842739 0.95836605089290 0.37843482522386 15.999 > 79 81 O 0.34862964672188 0.15285075903572 0.88329796452208 15.999 > 81 82 O 0.34862964672188 0.65285075903572 0.88329796452208 15.999 > 81 83 O 0.15137035327812 0.40285075903572 0.61670203547792 15.999 > 83 84 O 0.15137035327812 0.90285075903572 0.61670203547792 15.999 > 83 85 O 0.65137035327812 0.34714924096428 0.11670203547792 15.999 > 85 86 O 0.65137035327812 0.84714924096428 0.11670203547792 15.999 > 85 87 O 0.84862964672188 0.09714924096428 0.38329796452208 15.999 > 87 88 O 0.84862964672188 0.59714924096428 0.38329796452208 15.999 > 87 89 O 0.04239404891286 0.33699243814237 0.97844380044468 15.999 > 89 90 O 0.04239404891286 0.83699243814237 0.97844380044468 15.999 > 89 91 O 0.95760595108714 0.33699243814237 0.52155619955532 15.999 > 91 92 O 0.95760595108714 0.83699243814237 0.52155619955532 15.999 > 91 93 O 0.95760595108714 0.16300756185763 0.02155619955532 15.999 > 93 94 O 0.95760595108714 0.66300756185763 0.02155619955532 15.999 > 93 95 O 0.04239404891286 0.16300756185763 0.47844380044468 15.999 > 95 96 O 0.04239404891286 0.66300756185763 0.47844380044468 15.999 > 95 97 O 0.49359033842740 0.29163394910710 0.87843482522386 15.999 > 73 98 O 0.49359033842740 0.79163394910710 0.87843482522386 15.999 > 73 99 O 0.50640966157261 0.29163394910710 0.62156517477614 15.999 > 75 100 O 0.50640966157261 0.79163394910710 0.62156517477614 15.999 > 75 101 O 0.50640966157261 0.20836605089290 0.12156517477614 15.999 > 77 102 O 0.50640966157261 0.70836605089290 0.12156517477614 15.999 > 77 103 O 0.49359033842740 0.20836605089290 0.37843482522386 15.999 > 79 104 O 0.49359033842740 0.70836605089290 0.37843482522386 15.999 > 79 105 O 0.84862964672188 0.40285075903572 0.88329796452208 15.999 > 81 106 O 0.84862964672188 0.90285075903572 0.88329796452208 15.999 > 81 107 O 0.65137035327812 0.15285075903572 0.61670203547792 15.999 > 83 108 O 0.65137035327812 0.65285075903572 0.61670203547792 15.999 > 83 109 O 0.15137035327812 0.09714924096428 0.11670203547792 15.999 > 85 110 O 0.15137035327812 0.59714924096428 0.11670203547792 15.999 > 85 111 O 0.34862964672188 0.34714924096428 0.38329796452208 15.999 > 87 112 O 0.34862964672188 0.84714924096428 0.38329796452208 15.999 > 87 113 O 0.54239404891286 0.08699243814237 0.97844380044468 15.999 > 89 114 O 0.54239404891286 0.58699243814237 0.97844380044468 15.999 > 89 115 O 0.45760595108714 0.08699243814237 0.52155619955532 15.999 > 91 116 O 0.45760595108714 0.58699243814237 0.52155619955532 15.999 > 91 117 O 0.45760595108714 0.41300756185763 0.02155619955532 15.999 > 93 118 O 0.45760595108714 0.91300756185763 0.02155619955532 15.999 > 93 119 O 0.54239404891286 0.41300756185763 0.47844380044468 15.999 > 95 120 O 0.54239404891286 0.91300756185763 0.47844380044468 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1847492 0.0000000 0.2057582 0.0000000 5.1711284 0.0000000 0.2057560 0.0000000 5.1423423 -------------------------- Born effective charges -------------------------- 1 Pb 3.4722044 0.0000000 -0.1514875 0.0000000 3.9432005 0.0000000 -0.5467605 0.0000000 3.7441702 2 Pb 3.4722044 0.0000000 -0.1514875 0.0000000 3.9432005 0.0000000 -0.5467605 0.0000000 3.7441702 3 Pb 3.9993537 -0.2871524 0.3680113 0.2373819 3.8415806 0.2035661 0.6088724 -0.3594988 3.2097700 4 Pb 3.9993537 0.2871524 0.3680113 -0.2373819 3.8415806 -0.2035661 0.6088724 0.3594988 3.2097700 5 Pb 3.9993537 -0.2871524 0.3680113 0.2373819 3.8415806 0.2035661 0.6088724 -0.3594988 3.2097700 6 Pb 3.9993537 0.2871524 0.3680113 -0.2373819 3.8415806 -0.2035661 0.6088724 0.3594988 3.2097700 7 I 3.6313492 -0.4792357 0.7553978 -0.4064016 3.7629324 -0.2880292 0.6026899 0.0436786 4.5276422 8 I 3.6313492 0.4792357 0.7553978 0.4064016 3.7629324 0.2880292 0.6026899 -0.0436786 4.5276422 9 I 3.6313492 -0.4792357 0.7553978 -0.4064016 3.7629324 -0.2880292 0.6026899 0.0436786 4.5276422 10 I 3.6313492 0.4792357 0.7553978 0.4064016 3.7629324 0.2880292 0.6026899 -0.0436786 4.5276422 11 Cl -2.1487112 0.0936205 -0.0722377 0.0928096 -1.9296966 0.5076437 -0.1725524 0.3482253 -1.4508820 12 Cl -2.1487112 -0.0936205 -0.0722377 -0.0928096 -1.9296966 -0.5076437 -0.1725524 -0.3482253 -1.4508820 13 Cl -2.1487112 0.0936205 -0.0722377 0.0928096 -1.9296966 0.5076437 -0.1725524 0.3482253 -1.4508820 14 Cl -2.1487112 -0.0936205 -0.0722377 -0.0928096 -1.9296966 -0.5076437 -0.1725524 -0.3482253 -1.4508820 15 Cl -2.0380551 0.1532038 0.1072070 0.0075680 -1.4553072 -0.1698580 0.1755113 -0.1525369 -1.6756850 16 Cl -2.0380551 -0.1532038 0.1072070 -0.0075680 -1.4553072 0.1698580 0.1755113 0.1525369 -1.6756850 17 Cl -2.0380551 0.1532038 0.1072070 0.0075680 -1.4553072 -0.1698580 0.1755113 -0.1525369 -1.6756850 18 Cl -2.0380551 -0.1532038 0.1072070 -0.0075680 -1.4553072 0.1698580 0.1755113 0.1525369 -1.6756850 19 O -1.5743641 0.3157118 -0.1522757 -0.1323811 -2.4046215 -0.8321123 -0.5133415 -1.3729700 -1.8080522 20 O -1.5743641 -0.3157118 -0.1522757 0.1323811 -2.4046215 0.8321123 -0.5133415 1.3729700 -1.8080522 21 O -1.5743641 0.3157118 -0.1522757 -0.1323811 -2.4046215 -0.8321123 -0.5133415 -1.3729700 -1.8080522 22 O -1.5743641 -0.3157118 -0.1522757 0.1323811 -2.4046215 0.8321123 -0.5133415 1.3729700 -1.8080522 23 O -1.3835992 0.5899639 -1.2814437 0.1226405 -1.8771983 0.4712851 -0.7822582 0.9716218 -2.7081960 24 O -1.3835992 -0.5899639 -1.2814437 -0.1226405 -1.8771983 -0.4712851 -0.7822582 -0.9716218 -2.7081960 25 O -1.3835992 0.5899639 -1.2814437 0.1226405 -1.8771983 0.4712851 -0.7822582 0.9716218 -2.7081960 26 O -1.3835992 -0.5899639 -1.2814437 -0.1226405 -1.8771983 -0.4712851 -0.7822582 -0.9716218 -2.7081960 27 O -2.2220754 -0.1305957 0.3510846 0.3275859 -1.9092897 -0.1645603 0.3544587 -0.1630729 -1.9666821 28 O -2.2220754 0.1305957 0.3510846 -0.3275859 -1.9092897 0.1645603 0.3544587 0.1630729 -1.9666821 29 O -2.2220754 -0.1305957 0.3510846 0.3275859 -1.9092897 -0.1645603 0.3544587 -0.1630729 -1.9666821 30 O -2.2220754 0.1305957 0.3510846 -0.3275859 -1.9092897 0.1645603 0.3544587 0.1630729 -1.9666821 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 41, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 89, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:36:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:36:54]------------------------- 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 7.654003565024232 -3.666880150000000 0.000000000000000 b 7.654003565024232 3.666880150000000 0.000000000000000 c -5.701006782817202 0.000000000000000 10.426772005648308 Atomic positions (fractional): 1 Pb 0.17664448199619 0.82335551800381 0.75000000000000 207.200 2 Pb 0.82335551800381 0.17664448199619 0.25000000000000 207.200 3 Pb 0.66496650918004 0.94167971359403 0.82433564563626 207.200 4 Pb 0.05832028640597 0.33503349081996 0.67566435436374 207.200 5 Pb 0.33503349081996 0.05832028640597 0.17566435436374 207.200 6 Pb 0.94167971359403 0.66496650918004 0.32433564563626 207.200 7 I 0.75960288733604 0.34342525327095 0.96824065354247 126.904 8 I 0.65657474672905 0.24039711266396 0.53175934645753 126.904 9 I 0.24039711266396 0.65657474672905 0.03175934645753 126.904 10 I 0.34342525327095 0.75960288733604 0.46824065354247 126.904 11 Cl 0.43153544190820 0.32643964178660 0.72926690025161 35.453 12 Cl 0.67356035821340 0.56846455809180 0.77073309974839 35.453 13 Cl 0.56846455809180 0.67356035821340 0.27073309974839 35.453 14 Cl 0.32643964178660 0.43153544190820 0.22926690025161 35.453 15 Cl 0.84601036026121 0.74131813819532 0.60490643744864 35.453 16 Cl 0.25868186180467 0.15398963973879 0.89509356255136 35.453 17 Cl 0.15398963973880 0.25868186180467 0.39509356255136 35.453 18 Cl 0.74131813819532 0.84601036026120 0.10490643744864 35.453 19 O 0.91032244021320 0.07685823664159 0.87843482522386 15.999 20 O 0.92314176335841 0.08967755978680 0.62156517477614 15.999 21 O 0.08967755978680 0.92314176335841 0.12156517477614 15.999 22 O 0.07685823664159 0.91032244021320 0.37843482522386 15.999 23 O 0.04292812865045 0.65433116479332 0.88329796452208 15.999 24 O 0.34566883520668 0.95707187134955 0.61670203547792 15.999 25 O 0.95707187134955 0.34566883520668 0.11670203547792 15.999 26 O 0.65433116479332 0.04292812865045 0.38329796452208 15.999 27 O 0.36840917262811 0.71637892519761 0.97844380044468 15.999 28 O 0.28362107480239 0.63159082737189 0.52155619955532 15.999 29 O 0.63159082737189 0.28362107480240 0.02155619955532 15.999 30 O 0.71637892519761 0.36840917262811 0.47844380044468 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.308007130048464 0.000000000000000 0.000000000000000 b 0.000000000000000 14.667520600000000 0.000000000000000 c -5.701006782817202 0.000000000000000 10.426772005648308 Atomic positions (fractional): 1 Pb 0.00000000000000 0.41167775900191 0.75000000000000 207.200 > 1 2 Pb 0.00000000000000 0.91167775900190 0.75000000000000 207.200 > 1 3 Pb 0.00000000000000 0.08832224099810 0.25000000000000 207.200 > 3 4 Pb 0.00000000000000 0.58832224099810 0.25000000000000 207.200 > 3 5 Pb 0.30332311138703 0.31917830110350 0.82433564563626 207.200 > 5 6 Pb 0.30332311138703 0.81917830110350 0.82433564563626 207.200 > 5 7 Pb 0.19667688861297 0.06917830110350 0.67566435436374 207.200 > 7 8 Pb 0.19667688861297 0.56917830110350 0.67566435436374 207.200 > 7 9 Pb 0.69667688861297 0.18082169889650 0.17566435436374 207.200 > 9 10 Pb 0.69667688861297 0.68082169889650 0.17566435436374 207.200 > 9 11 Pb 0.80332311138703 0.43082169889650 0.32433564563626 207.200 > 11 12 Pb 0.80332311138703 0.93082169889650 0.32433564563626 207.200 > 11 13 Pb 0.50000000000000 0.16167775900191 0.75000000000000 207.200 > 1 14 Pb 0.50000000000000 0.66167775900190 0.75000000000000 207.200 > 1 15 Pb 0.50000000000000 0.33832224099809 0.25000000000000 207.200 > 3 16 Pb 0.50000000000000 0.83832224099810 0.25000000000000 207.200 > 3 17 Pb 0.80332311138703 0.06917830110350 0.82433564563626 207.200 > 5 18 Pb 0.80332311138703 0.56917830110350 0.82433564563626 207.200 > 5 19 Pb 0.69667688861297 0.31917830110350 0.67566435436374 207.200 > 7 20 Pb 0.69667688861297 0.81917830110350 0.67566435436374 207.200 > 7 21 Pb 0.19667688861297 0.43082169889650 0.17566435436374 207.200 > 9 22 Pb 0.19667688861297 0.93082169889650 0.17566435436374 207.200 > 9 23 Pb 0.30332311138703 0.18082169889650 0.32433564563626 207.200 > 11 24 Pb 0.30332311138703 0.68082169889650 0.32433564563626 207.200 > 11 25 I 0.05151407030350 0.14595559148373 0.96824065354247 126.904 > 25 26 I 0.05151407030350 0.64595559148373 0.96824065354247 126.904 > 25 27 I 0.94848592969650 0.14595559148373 0.53175934645753 126.904 > 27 28 I 0.94848592969650 0.64595559148373 0.53175934645753 126.904 > 27 29 I 0.94848592969650 0.35404440851627 0.03175934645753 126.904 > 29 30 I 0.94848592969650 0.85404440851627 0.03175934645753 126.904 > 29 31 I 0.05151407030350 0.35404440851627 0.46824065354247 126.904 > 31 32 I 0.05151407030350 0.85404440851627 0.46824065354247 126.904 > 31 33 I 0.55151407030350 0.39595559148373 0.96824065354247 126.904 > 25 34 I 0.55151407030350 0.89595559148373 0.96824065354247 126.904 > 25 35 I 0.44848592969650 0.39595559148373 0.53175934645753 126.904 > 27 36 I 0.44848592969650 0.89595559148373 0.53175934645753 126.904 > 27 37 I 0.44848592969650 0.10404440851627 0.03175934645753 126.904 > 29 38 I 0.44848592969650 0.60404440851627 0.03175934645753 126.904 > 29 39 I 0.55151407030350 0.10404440851627 0.46824065354247 126.904 > 31 40 I 0.55151407030350 0.60404440851627 0.46824065354247 126.904 > 31 41 Cl 0.87898754184740 0.22372604996960 0.72926690025161 35.453 > 41 42 Cl 0.87898754184740 0.72372604996960 0.72926690025161 35.453 > 41 43 Cl 0.12101245815260 0.22372604996960 0.77073309974839 35.453 > 43 44 Cl 0.12101245815260 0.72372604996960 0.77073309974839 35.453 > 43 45 Cl 0.12101245815260 0.27627395003040 0.27073309974839 35.453 > 45 46 Cl 0.12101245815260 0.77627395003040 0.27073309974839 35.453 > 45 47 Cl 0.87898754184740 0.27627395003040 0.22926690025161 35.453 > 47 48 Cl 0.87898754184740 0.77627395003040 0.22926690025161 35.453 > 47 49 Cl 0.29366424922827 0.22382694448353 0.60490643744864 35.453 > 49 50 Cl 0.29366424922827 0.72382694448353 0.60490643744864 35.453 > 49 51 Cl 0.20633575077173 0.47382694448353 0.89509356255136 35.453 > 51 52 Cl 0.20633575077173 0.97382694448353 0.89509356255136 35.453 > 51 53 Cl 0.70633575077174 0.27617305551647 0.39509356255136 35.453 > 53 54 Cl 0.70633575077174 0.77617305551647 0.39509356255136 35.453 > 53 55 Cl 0.79366424922826 0.02617305551647 0.10490643744864 35.453 > 55 56 Cl 0.79366424922826 0.52617305551647 0.10490643744864 35.453 > 55 57 Cl 0.37898754184740 0.47372604996960 0.72926690025161 35.453 > 41 58 Cl 0.37898754184740 0.97372604996960 0.72926690025161 35.453 > 41 59 Cl 0.62101245815260 0.47372604996960 0.77073309974839 35.453 > 43 60 Cl 0.62101245815260 0.97372604996960 0.77073309974839 35.453 > 43 61 Cl 0.62101245815260 0.02627395003040 0.27073309974839 35.453 > 45 62 Cl 0.62101245815260 0.52627395003040 0.27073309974839 35.453 > 45 63 Cl 0.37898754184740 0.02627395003040 0.22926690025161 35.453 > 47 64 Cl 0.37898754184740 0.52627395003040 0.22926690025161 35.453 > 47 65 Cl 0.79366424922826 0.47382694448353 0.60490643744864 35.453 > 49 66 Cl 0.79366424922826 0.97382694448353 0.60490643744864 35.453 > 49 67 Cl 0.70633575077174 0.22382694448353 0.89509356255136 35.453 > 51 68 Cl 0.70633575077174 0.72382694448353 0.89509356255136 35.453 > 51 69 Cl 0.20633575077173 0.02617305551647 0.39509356255136 35.453 > 53 70 Cl 0.20633575077173 0.52617305551647 0.39509356255136 35.453 > 53 71 Cl 0.29366424922827 0.27617305551647 0.10490643744864 35.453 > 55 72 Cl 0.29366424922827 0.77617305551647 0.10490643744864 35.453 > 55 73 O 0.99359033842739 0.04163394910710 0.87843482522386 15.999 > 73 74 O 0.99359033842739 0.54163394910710 0.87843482522386 15.999 > 73 75 O 0.00640966157261 0.04163394910710 0.62156517477614 15.999 > 75 76 O 0.00640966157261 0.54163394910710 0.62156517477614 15.999 > 75 77 O 0.00640966157261 0.45836605089290 0.12156517477614 15.999 > 77 78 O 0.00640966157261 0.95836605089290 0.12156517477614 15.999 > 77 79 O 0.99359033842739 0.45836605089290 0.37843482522386 15.999 > 79 80 O 0.99359033842739 0.95836605089290 0.37843482522386 15.999 > 79 81 O 0.34862964672188 0.15285075903572 0.88329796452208 15.999 > 81 82 O 0.34862964672188 0.65285075903572 0.88329796452208 15.999 > 81 83 O 0.15137035327812 0.40285075903572 0.61670203547792 15.999 > 83 84 O 0.15137035327812 0.90285075903572 0.61670203547792 15.999 > 83 85 O 0.65137035327812 0.34714924096428 0.11670203547792 15.999 > 85 86 O 0.65137035327812 0.84714924096428 0.11670203547792 15.999 > 85 87 O 0.84862964672188 0.09714924096428 0.38329796452208 15.999 > 87 88 O 0.84862964672188 0.59714924096428 0.38329796452208 15.999 > 87 89 O 0.04239404891286 0.33699243814237 0.97844380044468 15.999 > 89 90 O 0.04239404891286 0.83699243814237 0.97844380044468 15.999 > 89 91 O 0.95760595108714 0.33699243814237 0.52155619955532 15.999 > 91 92 O 0.95760595108714 0.83699243814237 0.52155619955532 15.999 > 91 93 O 0.95760595108714 0.16300756185763 0.02155619955532 15.999 > 93 94 O 0.95760595108714 0.66300756185763 0.02155619955532 15.999 > 93 95 O 0.04239404891286 0.16300756185763 0.47844380044468 15.999 > 95 96 O 0.04239404891286 0.66300756185763 0.47844380044468 15.999 > 95 97 O 0.49359033842740 0.29163394910710 0.87843482522386 15.999 > 73 98 O 0.49359033842740 0.79163394910710 0.87843482522386 15.999 > 73 99 O 0.50640966157261 0.29163394910710 0.62156517477614 15.999 > 75 100 O 0.50640966157261 0.79163394910710 0.62156517477614 15.999 > 75 101 O 0.50640966157261 0.20836605089290 0.12156517477614 15.999 > 77 102 O 0.50640966157261 0.70836605089290 0.12156517477614 15.999 > 77 103 O 0.49359033842740 0.20836605089290 0.37843482522386 15.999 > 79 104 O 0.49359033842740 0.70836605089290 0.37843482522386 15.999 > 79 105 O 0.84862964672188 0.40285075903572 0.88329796452208 15.999 > 81 106 O 0.84862964672188 0.90285075903572 0.88329796452208 15.999 > 81 107 O 0.65137035327812 0.15285075903572 0.61670203547792 15.999 > 83 108 O 0.65137035327812 0.65285075903572 0.61670203547792 15.999 > 83 109 O 0.15137035327812 0.09714924096428 0.11670203547792 15.999 > 85 110 O 0.15137035327812 0.59714924096428 0.11670203547792 15.999 > 85 111 O 0.34862964672188 0.34714924096428 0.38329796452208 15.999 > 87 112 O 0.34862964672188 0.84714924096428 0.38329796452208 15.999 > 87 113 O 0.54239404891286 0.08699243814237 0.97844380044468 15.999 > 89 114 O 0.54239404891286 0.58699243814237 0.97844380044468 15.999 > 89 115 O 0.45760595108714 0.08699243814237 0.52155619955532 15.999 > 91 116 O 0.45760595108714 0.58699243814237 0.52155619955532 15.999 > 91 117 O 0.45760595108714 0.41300756185763 0.02155619955532 15.999 > 93 118 O 0.45760595108714 0.91300756185763 0.02155619955532 15.999 > 93 119 O 0.54239404891286 0.41300756185763 0.47844380044468 15.999 > 95 120 O 0.54239404891286 0.91300756185763 0.47844380044468 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1847492 0.0000000 0.2057582 0.0000000 5.1711284 0.0000000 0.2057560 0.0000000 5.1423423 -------------------------- Born effective charges -------------------------- 1 Pb 3.4722044 0.0000000 -0.1514875 0.0000000 3.9432005 0.0000000 -0.5467605 0.0000000 3.7441702 2 Pb 3.4722044 0.0000000 -0.1514875 0.0000000 3.9432005 0.0000000 -0.5467605 0.0000000 3.7441702 3 Pb 3.9993537 -0.2871524 0.3680113 0.2373819 3.8415806 0.2035661 0.6088724 -0.3594988 3.2097700 4 Pb 3.9993537 0.2871524 0.3680113 -0.2373819 3.8415806 -0.2035661 0.6088724 0.3594988 3.2097700 5 Pb 3.9993537 -0.2871524 0.3680113 0.2373819 3.8415806 0.2035661 0.6088724 -0.3594988 3.2097700 6 Pb 3.9993537 0.2871524 0.3680113 -0.2373819 3.8415806 -0.2035661 0.6088724 0.3594988 3.2097700 7 I 3.6313492 -0.4792357 0.7553978 -0.4064016 3.7629324 -0.2880292 0.6026899 0.0436786 4.5276422 8 I 3.6313492 0.4792357 0.7553978 0.4064016 3.7629324 0.2880292 0.6026899 -0.0436786 4.5276422 9 I 3.6313492 -0.4792357 0.7553978 -0.4064016 3.7629324 -0.2880292 0.6026899 0.0436786 4.5276422 10 I 3.6313492 0.4792357 0.7553978 0.4064016 3.7629324 0.2880292 0.6026899 -0.0436786 4.5276422 11 Cl -2.1487112 0.0936205 -0.0722377 0.0928096 -1.9296966 0.5076437 -0.1725524 0.3482253 -1.4508820 12 Cl -2.1487112 -0.0936205 -0.0722377 -0.0928096 -1.9296966 -0.5076437 -0.1725524 -0.3482253 -1.4508820 13 Cl -2.1487112 0.0936205 -0.0722377 0.0928096 -1.9296966 0.5076437 -0.1725524 0.3482253 -1.4508820 14 Cl -2.1487112 -0.0936205 -0.0722377 -0.0928096 -1.9296966 -0.5076437 -0.1725524 -0.3482253 -1.4508820 15 Cl -2.0380551 0.1532038 0.1072070 0.0075680 -1.4553072 -0.1698580 0.1755113 -0.1525369 -1.6756850 16 Cl -2.0380551 -0.1532038 0.1072070 -0.0075680 -1.4553072 0.1698580 0.1755113 0.1525369 -1.6756850 17 Cl -2.0380551 0.1532038 0.1072070 0.0075680 -1.4553072 -0.1698580 0.1755113 -0.1525369 -1.6756850 18 Cl -2.0380551 -0.1532038 0.1072070 -0.0075680 -1.4553072 0.1698580 0.1755113 0.1525369 -1.6756850 19 O -1.5743641 0.3157118 -0.1522757 -0.1323811 -2.4046215 -0.8321123 -0.5133415 -1.3729700 -1.8080522 20 O -1.5743641 -0.3157118 -0.1522757 0.1323811 -2.4046215 0.8321123 -0.5133415 1.3729700 -1.8080522 21 O -1.5743641 0.3157118 -0.1522757 -0.1323811 -2.4046215 -0.8321123 -0.5133415 -1.3729700 -1.8080522 22 O -1.5743641 -0.3157118 -0.1522757 0.1323811 -2.4046215 0.8321123 -0.5133415 1.3729700 -1.8080522 23 O -1.3835992 0.5899639 -1.2814437 0.1226405 -1.8771983 0.4712851 -0.7822582 0.9716218 -2.7081960 24 O -1.3835992 -0.5899639 -1.2814437 -0.1226405 -1.8771983 -0.4712851 -0.7822582 -0.9716218 -2.7081960 25 O -1.3835992 0.5899639 -1.2814437 0.1226405 -1.8771983 0.4712851 -0.7822582 0.9716218 -2.7081960 26 O -1.3835992 -0.5899639 -1.2814437 -0.1226405 -1.8771983 -0.4712851 -0.7822582 -0.9716218 -2.7081960 27 O -2.2220754 -0.1305957 0.3510846 0.3275859 -1.9092897 -0.1645603 0.3544587 -0.1630729 -1.9666821 28 O -2.2220754 0.1305957 0.3510846 -0.3275859 -1.9092897 0.1645603 0.3544587 0.1630729 -1.9666821 29 O -2.2220754 -0.1305957 0.3510846 0.3275859 -1.9092897 -0.1645603 0.3544587 -0.1630729 -1.9666821 30 O -2.2220754 0.1305957 0.3510846 -0.3275859 -1.9092897 0.1645603 0.3544587 0.1630729 -1.9666821 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] 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: 0.50, Number of G-points: 301, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.626 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.064 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.675 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 10.232 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.939 ( 0.000 0.000 0.000) 0.000 10.995 ( 0.000 0.000 0.000) 0.000 19.998 ( 0.000 0.000 0.000) 0.000 20.356 ( 0.000 0.000 0.000) 0.000 20.372 ( 0.000 0.000 0.000) 0.000 20.693 ( 0.000 0.000 0.000) 0.000 20.694 ( 0.000 0.000 0.000) 0.000 20.763 ( 0.000 0.000 0.000) 0.000 21.114 ( 0.000 0.000 0.000) 0.000 22.013 ( 0.000 0.000 0.000) 0.000 22.118 ( 0.000 0.000 0.000) 0.000 22.148 ( 0.000 0.000 0.000) 0.000 22.172 ( 0.000 0.000 0.000) 0.000 22.188 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 6.164 -10.853 4.832) 13.384 0.341 ( 15.682 -9.942 5.056) 19.243 0.553 ( 6.874 -26.392 1.599) 27.319 0.680 ( 2.800 -4.923 1.536) 5.868 1.015 ( 0.109 0.319 -0.550) 0.645 1.122 ( -3.189 -0.287 1.007) 3.356 1.167 ( -0.126 0.154 -2.223) 2.232 1.208 ( 1.555 -2.041 -1.504) 2.975 1.429 ( -1.371 1.369 -0.098) 1.940 1.445 ( -0.836 2.350 -0.383) 2.523 1.480 ( -0.730 0.991 -0.902) 1.526 1.554 ( 3.868 1.941 1.892) 4.723 1.604 ( -0.380 -1.165 -3.853) 4.044 1.639 ( -1.670 1.413 -1.461) 2.631 1.725 ( 2.699 -1.733 2.838) 4.283 1.781 ( 0.855 5.004 1.105) 5.195 1.991 ( 3.054 -0.653 2.384) 3.929 2.106 ( 2.459 5.822 1.124) 6.419 2.204 ( 1.476 -0.095 0.718) 1.644 2.295 ( -0.740 -0.623 -2.255) 2.454 2.346 ( 0.449 2.019 3.336) 3.925 2.578 ( -3.816 -2.270 -1.930) 4.842 2.617 ( 0.811 3.381 0.628) 3.533 2.672 ( 2.655 -0.149 -1.375) 2.994 2.739 ( -1.205 -0.528 3.141) 3.405 2.778 ( 2.218 2.717 -0.530) 3.547 2.874 ( 1.580 3.115 1.191) 3.690 2.986 ( -0.864 -7.207 -1.303) 7.375 3.009 ( 1.696 -3.684 -1.161) 4.219 3.019 ( -0.709 -2.766 0.502) 2.899 3.064 ( 3.805 -0.392 2.521) 4.581 3.157 ( -0.891 4.972 1.848) 5.379 3.425 ( -0.385 0.409 -1.281) 1.399 3.461 ( 0.536 1.670 0.777) 1.919 3.492 ( 1.314 -2.802 -2.866) 4.218 3.559 ( -1.256 7.710 -2.677) 8.258 3.661 ( -2.146 0.302 0.975) 2.376 3.692 ( -3.340 -1.982 -1.764) 4.266 3.754 ( -2.024 0.930 -0.443) 2.271 3.849 ( 3.617 0.535 0.389) 3.677 3.892 ( -5.717 -2.407 4.601) 7.724 3.994 ( 9.220 5.461 -4.962) 11.809 4.167 ( 0.040 1.620 0.497) 1.695 4.228 ( -2.375 -3.746 -10.711) 11.593 4.269 ( -8.414 -0.840 -4.126) 9.409 4.300 ( 4.791 -1.773 -6.570) 8.322 4.472 ( -1.339 1.423 3.736) 4.216 4.560 ( 2.079 -1.629 1.406) 2.993 4.629 ( -0.380 -3.036 -2.758) 4.119 4.682 ( 0.637 -1.633 4.295) 4.639 4.873 ( -7.269 3.766 18.744) 20.454 5.040 ( -0.404 8.966 1.337) 9.074 5.066 ( 4.223 3.517 -1.406) 5.673 5.175 ( 11.525 6.853 -4.788) 14.238 5.232 ( -0.933 -0.432 -0.623) 1.202 5.254 ( 3.268 1.150 2.691) 4.387 5.339 ( -2.482 1.390 -0.166) 2.849 5.467 ( 0.286 -5.899 0.464) 5.924 5.563 ( -1.474 -2.122 2.854) 3.850 5.612 ( 0.265 2.576 -1.747) 3.123 5.707 ( 1.519 -1.764 -1.175) 2.607 5.867 ( 2.351 -3.044 1.481) 4.122 5.949 ( 0.832 0.703 0.736) 1.315 6.196 ( 2.136 6.295 -1.586) 6.834 6.415 ( -6.438 -7.171 -1.788) 9.801 6.558 ( 0.322 4.814 -1.837) 5.163 9.006 ( -2.787 1.895 -0.007) 3.370 9.053 ( -0.503 2.418 1.032) 2.677 9.071 ( -1.266 1.159 -0.263) 1.736 9.185 ( 1.402 -0.364 -0.047) 1.449 9.559 ( 0.896 -1.179 0.412) 1.537 9.748 ( -1.154 -7.188 -2.179) 7.599 9.826 ( 0.381 -3.458 0.468) 3.511 10.153 ( -6.983 -3.658 -4.584) 9.119 10.255 ( -1.310 -3.272 -1.024) 3.670 10.767 ( -5.697 -3.882 -1.348) 7.025 10.935 ( -0.088 0.323 -0.631) 0.715 11.004 ( 0.118 -0.757 0.094) 0.771 20.062 ( 9.764 0.260 -6.204) 11.571 20.357 ( -0.992 0.775 -0.085) 1.262 20.370 ( -0.111 -1.183 -0.537) 1.304 20.696 ( -0.409 -1.475 -4.296) 4.561 20.719 ( 0.459 1.850 4.065) 4.490 21.009 ( 2.351 10.786 16.205) 19.608 21.177 ( 9.645 6.824 19.440) 22.749 21.994 ( -2.909 3.887 -2.644) 5.528 22.051 ( 0.139 6.041 0.700) 6.083 22.112 ( 0.182 0.841 -0.393) 0.946 22.269 ( -0.668 -5.062 0.788) 5.167 22.648 ( -14.384 -7.315 -1.624) 16.219 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 5.838 -10.131 5.696) 13.006 0.625 ( 11.872 -7.695 3.930) 14.683 0.772 ( 3.293 -5.513 -3.371) 7.252 1.005 ( 0.172 0.670 0.517) 0.863 1.039 ( 3.290 -17.879 2.371) 18.333 1.112 ( -2.090 -1.003 -0.906) 2.489 1.161 ( 0.727 -1.697 -2.092) 2.790 1.257 ( 1.385 -3.500 -0.777) 3.843 1.392 ( -0.647 0.810 0.731) 1.269 1.414 ( -2.617 -0.931 0.045) 2.778 1.460 ( 0.567 -0.172 -0.727) 0.938 1.564 ( -0.559 1.682 1.815) 2.536 1.586 ( -1.940 -0.936 -2.431) 3.248 1.631 ( 3.525 -0.773 -1.088) 3.769 1.733 ( 1.478 2.085 1.718) 3.080 1.773 ( 1.194 -0.977 1.276) 2.002 1.987 ( 0.843 4.415 1.114) 4.630 2.035 ( 3.428 5.964 0.904) 6.938 2.212 ( -1.321 1.055 1.295) 2.129 2.276 ( 3.458 1.297 -1.459) 3.971 2.341 ( -1.036 -1.352 -1.598) 2.336 2.556 ( -3.793 0.822 0.602) 3.927 2.586 ( -2.029 -0.508 -1.460) 2.551 2.696 ( 2.893 3.950 -0.553) 4.928 2.700 ( 0.997 1.449 -1.715) 2.457 2.753 ( 2.172 0.851 -2.266) 3.252 2.880 ( 2.272 0.045 2.322) 3.249 2.974 ( 2.137 4.274 -0.973) 4.877 3.060 ( -1.535 -2.136 1.055) 2.834 3.091 ( -2.499 -2.487 -1.407) 3.796 3.137 ( 2.692 -2.778 3.293) 5.080 3.198 ( 6.373 -4.842 3.187) 8.615 3.360 ( -1.623 4.431 -3.841) 6.085 3.423 ( 1.242 1.905 -0.016) 2.274 3.446 ( 0.734 2.998 0.641) 3.152 3.519 ( -0.896 1.214 1.347) 2.023 3.639 ( -2.543 -0.782 -1.279) 2.952 3.672 ( -0.246 2.457 -0.219) 2.479 3.762 ( 0.345 -3.222 -5.723) 6.577 3.830 ( 0.308 2.133 -2.805) 3.538 3.894 ( -2.527 -0.338 3.745) 4.531 3.939 ( 3.906 4.435 -1.955) 6.224 4.144 ( -1.509 0.657 -0.730) 1.800 4.232 ( -3.274 -1.975 1.173) 4.000 4.259 ( -2.488 -6.018 -8.530) 10.732 4.341 ( 4.304 0.923 1.972) 4.823 4.433 ( 0.522 2.376 1.708) 2.972 4.611 ( 0.541 -0.528 3.154) 3.243 4.658 ( -0.245 -1.441 -2.128) 2.582 4.713 ( -2.962 -0.909 3.135) 4.408 4.827 ( 0.634 5.631 9.463) 11.029 4.942 ( 0.483 2.135 2.261) 3.147 5.026 ( 1.042 3.011 -0.268) 3.197 5.140 ( 4.003 1.983 -4.941) 6.661 5.218 ( -2.813 0.322 -2.021) 3.479 5.265 ( 0.194 0.313 0.055) 0.372 5.277 ( -2.096 2.894 -0.067) 3.574 5.492 ( -4.742 -2.022 2.660) 5.801 5.530 ( 0.614 4.744 -3.459) 5.903 5.677 ( 0.749 -3.054 2.985) 4.336 5.756 ( 3.468 -2.640 -1.374) 4.570 5.899 ( -1.019 -1.043 -0.269) 1.483 5.942 ( -0.689 0.704 0.347) 1.044 6.161 ( 6.007 2.007 2.554) 6.829 6.397 ( -3.787 4.518 -1.621) 6.114 6.508 ( -1.502 -2.304 -2.192) 3.517 8.955 ( -2.154 1.256 -0.255) 2.507 8.995 ( -2.682 2.496 0.383) 3.684 9.047 ( 1.568 2.274 0.117) 2.765 9.188 ( 0.501 0.622 -0.389) 0.889 9.618 ( 2.089 -3.562 0.708) 4.189 9.838 ( -1.909 -5.763 -2.302) 6.493 9.896 ( -1.171 -3.661 0.268) 3.853 10.128 ( -2.463 0.802 -0.005) 2.591 10.341 ( 0.635 -7.625 0.117) 7.652 10.792 ( -1.389 -3.029 -1.428) 3.625 10.915 ( -0.706 1.288 -1.242) 1.923 11.015 ( 0.093 -0.074 0.300) 0.323 20.129 ( 4.244 -3.354 -1.913) 5.738 20.317 ( -1.443 2.121 -1.572) 3.009 20.390 ( -0.412 -1.024 -0.167) 1.116 20.675 ( -1.189 -0.107 -8.088) 8.176 20.729 ( 0.598 -0.063 6.810) 6.837 20.953 ( 0.719 3.006 8.162) 8.728 21.207 ( 7.788 6.474 12.718) 16.258 21.765 ( -6.447 12.470 -4.607) 14.774 22.030 ( 1.004 0.517 0.267) 1.160 22.094 ( 0.219 1.157 -0.451) 1.261 22.350 ( -0.189 -3.883 1.764) 4.269 22.649 ( -7.861 -4.610 -2.705) 9.506 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 3.944 -4.959 5.646) 8.487 0.826 ( 5.613 -4.371 -0.249) 7.118 0.847 ( 1.540 -3.487 -1.997) 4.303 1.002 ( 0.063 -0.584 1.944) 2.030 1.098 ( -0.358 0.812 -1.385) 1.645 1.154 ( -0.500 -2.220 -1.100) 2.528 1.262 ( 1.239 -5.620 -1.689) 5.998 1.313 ( 1.058 -0.423 -0.137) 1.148 1.407 ( -0.899 -1.679 1.519) 2.436 1.466 ( -2.772 -3.675 -1.522) 4.848 1.501 ( 0.278 -1.488 -0.941) 1.782 1.542 ( 0.835 -0.645 3.140) 3.312 1.620 ( -0.390 -5.273 -0.377) 5.301 1.675 ( 5.320 -0.593 -0.008) 5.353 1.740 ( -0.830 -1.147 1.394) 1.987 1.798 ( 0.306 -1.699 -1.722) 2.439 1.895 ( -1.918 5.350 0.208) 5.688 1.951 ( 2.507 6.903 2.893) 7.893 2.175 ( 0.252 1.755 -0.519) 1.848 2.303 ( 4.718 0.850 2.004) 5.196 2.358 ( -0.921 -2.735 -1.702) 3.350 2.508 ( -1.061 1.834 -1.154) 2.413 2.568 ( -2.157 0.396 1.138) 2.471 2.639 ( 1.384 2.141 -1.869) 3.161 2.688 ( 1.076 1.044 -1.334) 2.007 2.737 ( -0.114 1.413 -2.716) 3.064 2.911 ( 2.105 0.744 1.219) 2.544 2.933 ( 1.908 0.970 -0.630) 2.231 3.036 ( -1.235 2.497 0.372) 2.811 3.119 ( -2.534 -2.982 -1.548) 4.208 3.199 ( 1.164 -1.179 1.719) 2.387 3.256 ( 0.765 1.935 -0.110) 2.084 3.327 ( 4.125 0.225 0.737) 4.196 3.400 ( -0.135 2.478 -0.271) 2.496 3.437 ( 0.882 0.508 2.454) 2.656 3.515 ( -0.912 -3.125 0.889) 3.374 3.626 ( -0.931 -0.325 -2.568) 2.751 3.658 ( 0.278 -0.175 1.444) 1.481 3.717 ( -0.609 2.800 -5.225) 5.959 3.806 ( -1.225 1.620 0.141) 2.036 3.897 ( 1.958 2.129 -1.175) 3.122 3.945 ( 0.749 -5.632 -0.102) 5.682 4.140 ( 0.537 -0.974 -0.049) 1.113 4.237 ( -4.942 1.602 1.520) 5.413 4.253 ( -2.329 -0.075 -0.990) 2.532 4.380 ( 3.547 -2.807 0.239) 4.530 4.457 ( 4.955 0.445 0.815) 5.042 4.587 ( -0.897 2.572 1.479) 3.100 4.657 ( -0.324 -0.110 -2.024) 2.053 4.699 ( -4.780 0.326 2.383) 5.351 4.816 ( 5.189 2.220 4.043) 6.943 4.958 ( -0.845 -0.626 3.570) 3.721 5.004 ( -1.481 -1.732 1.045) 2.507 5.105 ( 1.442 3.173 -4.214) 5.469 5.157 ( -3.739 1.933 -1.592) 4.500 5.218 ( 0.132 1.395 -3.014) 3.324 5.261 ( -0.156 0.887 1.249) 1.540 5.455 ( 2.249 2.616 -3.626) 5.005 5.494 ( -4.359 -0.411 3.058) 5.341 5.662 ( -1.019 2.863 0.633) 3.104 5.805 ( 2.967 0.101 -1.876) 3.512 5.921 ( -2.576 -2.974 0.918) 4.040 5.996 ( 1.345 -5.806 2.816) 6.592 6.175 ( 2.468 2.550 -0.256) 3.558 6.272 ( -0.847 5.621 -1.258) 5.822 6.535 ( -1.390 -2.392 -0.858) 2.896 8.930 ( -1.063 0.132 -0.045) 1.072 8.940 ( -1.657 1.692 0.026) 2.369 9.022 ( 0.970 1.809 0.037) 2.053 9.177 ( -0.094 0.490 -0.397) 0.638 9.704 ( 2.413 -3.515 0.572) 4.302 9.878 ( -2.204 -0.873 -0.333) 2.394 9.938 ( -1.220 -3.869 -1.667) 4.385 10.087 ( -0.945 2.679 1.380) 3.158 10.509 ( 2.326 -9.217 0.899) 9.548 10.826 ( 0.019 -1.152 -0.190) 1.168 10.864 ( -1.967 2.057 -2.335) 3.681 11.010 ( 0.088 0.775 0.450) 0.901 20.216 ( 1.606 -3.356 0.441) 3.746 20.263 ( -0.445 1.029 -2.467) 2.709 20.383 ( -0.721 1.292 -0.074) 1.481 20.632 ( -0.392 1.021 -2.980) 3.174 20.787 ( 0.891 -2.588 4.594) 5.347 20.984 ( 0.149 -2.562 3.184) 4.089 21.201 ( 5.024 5.282 6.817) 9.980 21.481 ( -5.692 11.081 -4.774) 13.341 22.033 ( 0.376 -0.061 -0.059) 0.386 22.075 ( 0.314 1.033 -0.187) 1.096 22.406 ( -0.098 -1.882 1.381) 2.337 22.652 ( -3.986 -2.594 -1.896) 5.120 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 -0.000 -0.000) 0.000 0.833 ( 0.000 -0.000 0.000) 0.000 0.917 ( 0.000 -0.000 -0.000) 0.000 1.031 ( 0.000 -0.000 0.000) 0.000 1.076 ( -0.000 -0.000 -0.000) 0.000 1.169 ( 0.000 -0.000 0.000) 0.000 1.321 ( 0.000 -0.000 0.000) 0.000 1.327 ( -0.000 -0.000 -0.000) 0.000 1.426 ( 0.000 -0.000 0.000) 0.000 1.472 ( 0.000 -0.000 -0.000) 0.000 1.525 ( 0.000 -0.000 -0.000) 0.000 1.531 ( -0.000 0.000 0.000) 0.000 1.676 ( 0.000 -0.000 0.000) 0.000 1.713 ( 0.000 -0.000 0.000) 0.000 1.747 ( 0.000 -0.000 0.000) 0.000 1.806 ( 0.000 -0.000 -0.000) 0.000 1.847 ( 0.000 -0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 -0.000 0.000) 0.000 2.324 ( 0.000 -0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 -0.000 0.000) 0.000 2.555 ( 0.000 -0.000 0.000) 0.000 2.625 ( 0.000 -0.000 0.000) 0.000 2.660 ( 0.000 -0.000 0.000) 0.000 2.721 ( 0.000 -0.000 -0.000) 0.000 2.891 ( 0.000 -0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 -0.000 -0.000) 0.000 3.128 ( 0.000 -0.000 0.000) 0.000 3.217 ( -0.000 -0.000 0.000) 0.000 3.247 ( 0.000 -0.000 -0.000) 0.000 3.329 ( 0.000 -0.000 0.000) 0.000 3.373 ( 0.000 -0.000 0.000) 0.000 3.453 ( 0.000 -0.000 0.000) 0.000 3.563 ( -0.000 -0.000 0.000) 0.000 3.620 ( 0.000 -0.000 0.000) 0.000 3.632 ( 0.000 -0.000 0.000) 0.000 3.702 ( 0.000 -0.000 -0.000) 0.000 3.769 ( -0.000 -0.000 -0.000) 0.000 3.888 ( 0.000 -0.000 0.000) 0.000 4.045 ( 0.000 -0.000 -0.000) 0.000 4.114 ( -0.000 0.000 0.000) 0.000 4.205 ( 0.000 -0.000 -0.000) 0.000 4.240 ( 0.000 -0.000 0.000) 0.000 4.435 ( 0.000 -0.000 0.000) 0.000 4.463 ( 0.000 -0.000 0.000) 0.000 4.572 ( -0.000 -0.000 -0.000) 0.000 4.650 ( -0.000 -0.000 0.000) 0.000 4.672 ( 0.000 -0.000 -0.000) 0.000 4.833 ( -0.000 -0.000 0.000) 0.000 4.967 ( 0.000 -0.000 0.000) 0.000 5.045 ( -0.000 -0.000 0.000) 0.000 5.052 ( 0.000 0.000 -0.000) 0.000 5.115 ( 0.000 -0.000 0.000) 0.000 5.185 ( 0.000 -0.000 0.000) 0.000 5.259 ( 0.000 -0.000 0.000) 0.000 5.446 ( -0.000 -0.000 0.000) 0.000 5.473 ( 0.000 -0.000 -0.000) 0.000 5.629 ( 0.000 -0.000 -0.000) 0.000 5.810 ( 0.000 -0.000 0.000) 0.000 5.946 ( 0.000 -0.000 0.000) 0.000 6.113 ( 0.000 -0.000 0.000) 0.000 6.115 ( -0.000 0.000 -0.000) 0.000 6.208 ( 0.000 -0.000 0.000) 0.000 6.550 ( 0.000 -0.000 0.000) 0.000 8.918 ( 0.000 -0.000 0.000) 0.000 8.926 ( 0.000 -0.000 0.000) 0.000 9.009 ( 0.000 -0.000 0.000) 0.000 9.170 ( 0.000 -0.000 0.000) 0.000 9.756 ( -0.000 -0.000 0.000) 0.000 9.861 ( 0.000 -0.000 0.000) 0.000 9.975 ( 0.000 -0.000 0.000) 0.000 10.052 ( 0.000 -0.000 0.000) 0.000 10.634 ( -0.000 0.000 0.000) 0.000 10.786 ( 0.000 -0.000 0.000) 0.000 10.855 ( 0.000 -0.000 0.000) 0.000 11.003 ( 0.000 -0.000 0.000) 0.000 20.223 ( 0.000 -0.000 0.000) 0.000 20.293 ( 0.000 -0.000 0.000) 0.000 20.350 ( 0.000 -0.000 -0.000) 0.000 20.615 ( 0.000 -0.000 0.000) 0.000 20.835 ( 0.000 -0.000 -0.000) 0.000 21.034 ( 0.000 -0.000 0.000) 0.000 21.183 ( 0.000 -0.000 0.000) 0.000 21.328 ( 0.000 -0.000 0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 22.066 ( 0.000 -0.000 0.000) 0.000 22.424 ( 0.000 -0.000 0.000) 0.000 22.654 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 10.627 0.000 7.051) 12.754 0.254 ( 11.410 0.000 7.637) 13.730 0.578 ( 26.565 0.000 11.376) 28.898 0.678 ( 6.234 0.000 -0.644) 6.267 1.011 ( 0.357 0.000 -1.867) 1.901 1.087 ( -6.330 -0.000 0.659) 6.364 1.175 ( 2.506 0.000 -2.596) 3.608 1.179 ( 0.895 0.000 -1.969) 2.163 1.436 ( 0.737 0.000 0.794) 1.084 1.441 ( -2.221 -0.000 -1.231) 2.540 1.497 ( -0.105 -0.000 -0.781) 0.788 1.537 ( -4.931 -0.000 -3.701) 6.165 1.601 ( 0.733 0.000 -2.116) 2.239 1.690 ( 1.644 0.000 3.917) 4.248 1.726 ( 2.330 0.000 0.692) 2.431 1.860 ( 2.006 0.000 0.440) 2.054 2.004 ( 2.301 0.000 -0.287) 2.319 2.184 ( -0.860 -0.000 0.772) 1.156 2.211 ( 4.165 0.000 -1.217) 4.339 2.254 ( -2.257 -0.000 -3.394) 4.076 2.514 ( -6.304 -0.000 5.424) 8.316 2.517 ( -2.541 -0.000 -0.829) 2.673 2.609 ( -0.504 -0.000 -5.493) 5.517 2.657 ( -4.598 -0.000 9.186) 10.272 2.737 ( 1.650 0.000 2.351) 2.873 2.827 ( 3.099 0.000 -2.431) 3.939 2.903 ( 0.749 0.000 -2.490) 2.600 2.920 ( 2.291 0.000 3.636) 4.297 2.988 ( 0.113 0.000 1.871) 1.874 2.999 ( 4.067 0.000 3.125) 5.129 3.119 ( 5.514 0.000 2.943) 6.250 3.269 ( 4.330 0.000 0.320) 4.341 3.345 ( 2.588 0.000 -6.247) 6.761 3.427 ( -2.940 -0.000 -2.278) 3.719 3.505 ( 3.849 0.000 -0.725) 3.916 3.629 ( -0.752 -0.000 -7.667) 7.704 3.633 ( -2.585 -0.000 -1.111) 2.813 3.658 ( -2.572 -0.000 -0.350) 2.596 3.742 ( -0.156 -0.000 -2.988) 2.992 3.783 ( -2.723 -0.000 8.835) 9.245 3.944 ( 6.344 0.000 4.088) 7.547 4.017 ( 2.391 0.000 -24.116) 24.234 4.134 ( 1.611 0.000 2.256) 2.773 4.166 ( -4.982 -0.000 -3.912) 6.334 4.201 ( -1.673 -0.000 -2.273) 2.822 4.354 ( 7.553 0.000 0.779) 7.593 4.461 ( 0.551 0.000 -2.607) 2.664 4.585 ( -1.458 -0.000 1.775) 2.297 4.593 ( 3.559 0.000 5.676) 6.699 4.703 ( 0.634 0.000 4.404) 4.450 4.892 ( -10.292 -0.000 13.671) 17.112 5.082 ( -0.876 -0.000 -1.452) 1.696 5.138 ( -3.188 -0.000 0.745) 3.274 5.201 ( -2.995 -0.000 -1.447) 3.326 5.232 ( -3.261 -0.000 -2.826) 4.316 5.284 ( 0.710 0.000 1.516) 1.674 5.401 ( 3.553 0.000 -2.722) 4.476 5.533 ( -4.657 -0.000 3.341) 5.732 5.609 ( 0.422 0.000 -2.230) 2.269 5.618 ( -0.894 -0.000 -2.694) 2.839 5.774 ( -0.288 -0.000 -4.009) 4.019 5.909 ( 1.684 0.000 -1.371) 2.172 5.973 ( 1.936 0.000 -0.095) 1.938 6.026 ( 3.873 0.000 -0.046) 3.873 6.382 ( 3.803 0.000 -0.063) 3.803 6.581 ( -1.571 -0.000 -2.976) 3.365 9.006 ( -4.626 -0.000 -1.215) 4.783 9.008 ( -4.187 -0.000 2.041) 4.658 9.105 ( 1.546 0.000 2.054) 2.571 9.203 ( 3.753 0.000 2.243) 4.372 9.565 ( 1.398 0.000 0.023) 1.398 9.679 ( 0.898 0.000 -5.470) 5.543 9.808 ( 0.499 0.000 1.374) 1.462 9.913 ( 0.063 0.000 0.894) 0.897 10.227 ( -0.235 -0.000 -0.530) 0.580 10.637 ( -4.636 -0.000 1.357) 4.831 10.931 ( -0.459 -0.000 -1.002) 1.102 11.032 ( 2.396 0.000 2.541) 3.493 20.112 ( 7.958 0.000 -14.642) 16.665 20.345 ( -0.593 -0.000 -1.063) 1.217 20.373 ( 0.156 0.000 0.025) 0.158 20.647 ( -0.070 -0.000 -7.394) 7.394 20.806 ( -0.440 -0.000 7.859) 7.871 21.103 ( -1.343 -0.000 0.279) 1.372 21.781 ( -22.064 -0.000 44.970) 50.091 21.985 ( -3.238 -0.000 -2.574) 4.136 22.121 ( -5.066 -0.000 -0.757) 5.122 22.156 ( -0.380 -0.000 0.045) 0.383 22.166 ( -0.702 -0.000 0.303) 0.765 22.231 ( -2.362 -0.000 5.456) 5.946 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 8.901 -7.192 8.642) 14.340 0.548 ( 7.904 -15.179 2.049) 17.236 0.747 ( 8.054 -1.487 -0.981) 8.249 0.865 ( 13.557 -7.144 6.326) 16.578 1.008 ( -0.912 0.090 -1.534) 1.787 1.064 ( -1.455 -2.578 0.877) 3.088 1.156 ( 2.741 1.153 -2.525) 3.901 1.216 ( 1.601 -1.635 -1.901) 2.974 1.402 ( -2.360 1.184 0.036) 2.640 1.425 ( -2.913 3.021 -1.683) 4.521 1.465 ( 1.750 -1.034 1.009) 2.269 1.538 ( -0.599 -2.523 -2.927) 3.910 1.568 ( -2.946 1.993 -1.235) 3.765 1.688 ( 3.571 2.027 3.258) 5.242 1.758 ( -0.598 -0.533 0.928) 1.226 1.827 ( 2.537 4.106 1.571) 5.076 2.043 ( 2.896 0.005 -0.266) 2.908 2.162 ( 1.560 4.805 -1.718) 5.336 2.196 ( -0.237 -0.726 -0.427) 0.875 2.263 ( 0.517 -1.924 -2.739) 3.387 2.378 ( -0.047 5.908 2.344) 6.357 2.497 ( -4.086 -0.689 2.115) 4.652 2.617 ( -1.281 -1.947 -3.278) 4.022 2.722 ( 3.429 2.667 3.932) 5.860 2.746 ( 0.048 0.082 -1.191) 1.195 2.834 ( 2.644 0.905 1.508) 3.176 2.904 ( -2.315 -3.093 -3.022) 4.905 2.950 ( 2.469 1.157 2.397) 3.630 3.005 ( 0.088 -1.827 -1.564) 2.407 3.053 ( 3.699 0.640 -0.845) 3.848 3.167 ( 4.214 0.579 2.337) 4.853 3.237 ( 6.339 -0.479 2.845) 6.964 3.371 ( -3.063 2.327 -2.702) 4.701 3.452 ( 1.038 -2.227 -1.329) 2.794 3.524 ( -0.087 3.837 -3.952) 5.509 3.546 ( 4.829 -0.464 -0.859) 4.927 3.585 ( -2.217 1.499 -3.684) 4.553 3.658 ( -0.628 -2.475 0.138) 2.557 3.747 ( -0.418 0.672 -1.585) 1.772 3.790 ( -2.347 0.537 -0.927) 2.579 3.957 ( 0.827 0.675 -1.058) 1.503 4.030 ( 1.842 -3.291 -5.975) 7.066 4.047 ( -3.980 4.184 -2.643) 6.351 4.168 ( -2.008 -2.156 1.718) 3.411 4.183 ( 2.319 0.162 -2.978) 3.778 4.407 ( 5.766 0.816 1.594) 6.038 4.481 ( 1.847 -0.616 0.925) 2.156 4.608 ( 0.636 -1.105 2.894) 3.162 4.630 ( -0.242 -0.375 2.722) 2.759 4.717 ( -1.881 0.987 4.397) 4.883 4.868 ( -6.872 -0.607 9.458) 11.707 5.033 ( -3.279 5.060 1.977) 6.346 5.069 ( -0.036 1.178 -0.380) 1.238 5.158 ( -4.066 0.350 -4.531) 6.098 5.208 ( 0.642 0.285 -3.826) 3.890 5.293 ( -1.839 1.054 0.272) 2.137 5.364 ( 2.468 6.943 -2.074) 7.655 5.471 ( 0.181 5.186 1.467) 5.393 5.577 ( -1.678 1.780 -2.917) 3.807 5.613 ( 1.642 -5.664 4.970) 7.712 5.704 ( -0.018 -1.848 -1.690) 2.504 5.929 ( 3.685 1.566 -0.375) 4.021 5.958 ( -0.991 1.564 0.073) 1.853 6.206 ( -0.422 -7.969 -1.354) 8.094 6.368 ( 2.308 2.875 2.135) 4.260 6.515 ( -1.768 3.789 -4.636) 6.243 8.955 ( -2.766 1.176 -0.565) 3.058 8.987 ( -4.672 0.208 0.788) 4.743 9.104 ( 2.342 2.142 0.626) 3.235 9.223 ( 1.823 1.740 0.937) 2.689 9.592 ( 2.366 -1.837 0.700) 3.076 9.710 ( -0.153 -5.509 -3.041) 6.295 9.826 ( -1.139 -2.691 0.821) 3.035 10.051 ( -2.164 -8.323 0.183) 8.602 10.243 ( 0.221 -3.123 -0.864) 3.248 10.657 ( -4.963 -5.700 -2.557) 7.979 10.917 ( -0.890 0.477 -1.542) 1.844 11.053 ( 2.785 1.228 2.618) 4.015 20.117 ( 4.668 -0.957 -6.223) 7.838 20.349 ( -0.300 1.241 -1.296) 1.819 20.354 ( -0.608 -0.433 0.265) 0.792 20.618 ( -0.488 -0.743 -7.525) 7.577 20.800 ( 0.216 3.273 8.392) 9.010 21.054 ( -1.079 4.062 2.560) 4.921 21.552 ( 2.413 16.425 23.802) 29.019 21.866 ( -8.636 8.878 -3.506) 12.872 22.055 ( 0.140 1.302 -0.346) 1.354 22.112 ( 0.665 1.196 -0.605) 1.496 22.270 ( -0.507 -6.122 1.841) 6.413 22.407 ( -10.911 -12.217 -0.859) 16.403 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 7.108 -7.040 6.842) 12.120 0.794 ( 3.649 -5.020 -0.165) 6.208 0.832 ( 7.569 -3.072 0.909) 8.219 0.992 ( -2.025 -1.127 -0.838) 2.464 1.042 ( -1.392 -7.154 -2.045) 7.569 1.104 ( 0.574 0.309 -0.396) 0.763 1.194 ( 4.006 -2.000 -1.387) 4.687 1.278 ( 2.451 -5.030 -0.812) 5.654 1.363 ( -2.944 -0.239 0.380) 2.978 1.394 ( -0.000 -1.149 -0.066) 1.151 1.485 ( -0.601 1.292 -0.313) 1.459 1.545 ( 2.646 -3.418 1.225) 4.492 1.558 ( -0.693 -1.024 -1.287) 1.784 1.711 ( 2.757 -0.186 0.971) 2.929 1.757 ( 0.544 0.560 0.680) 1.035 1.801 ( 0.991 2.139 2.651) 3.548 1.989 ( -0.718 6.408 0.082) 6.448 2.098 ( 2.382 5.641 0.151) 6.125 2.182 ( 0.395 0.064 -1.906) 1.948 2.295 ( -0.073 -2.075 -2.524) 3.268 2.361 ( 3.550 -0.373 2.565) 4.395 2.501 ( -3.106 -1.250 3.626) 4.935 2.583 ( 0.149 2.982 -0.968) 3.139 2.718 ( 2.849 2.755 -2.861) 4.888 2.742 ( 1.644 0.851 0.601) 1.946 2.764 ( 3.136 6.681 -1.443) 7.520 2.936 ( -5.411 -3.279 -1.953) 6.622 2.951 ( 3.459 1.613 1.603) 4.139 3.021 ( -2.933 -3.028 -3.958) 5.783 3.042 ( 2.179 1.912 -1.345) 3.196 3.205 ( 1.993 -0.958 0.519) 2.271 3.296 ( -1.605 2.876 -1.073) 3.464 3.375 ( 5.889 -2.548 2.298) 6.816 3.437 ( 0.035 3.711 -0.272) 3.721 3.476 ( 2.541 -1.870 1.400) 3.451 3.497 ( 0.026 3.933 -1.201) 4.112 3.592 ( 0.702 -1.270 -1.792) 2.306 3.701 ( -0.729 1.774 -0.693) 2.039 3.715 ( 0.680 1.719 -1.174) 2.190 3.775 ( 0.881 -3.699 -3.586) 5.227 3.936 ( -0.443 2.397 0.608) 2.513 3.946 ( 0.080 2.455 0.569) 2.521 4.070 ( -1.439 -3.983 -4.026) 5.844 4.188 ( -1.691 -1.451 1.017) 2.449 4.222 ( 0.939 -1.966 -1.915) 2.901 4.413 ( 1.106 1.745 1.708) 2.680 4.538 ( 7.399 0.387 3.866) 8.357 4.611 ( -0.717 1.224 -0.884) 1.672 4.647 ( -2.668 -1.262 2.719) 4.012 4.672 ( -3.815 2.617 4.171) 6.229 4.904 ( -2.183 -2.772 9.779) 10.396 4.954 ( -2.330 2.531 1.545) 3.772 5.036 ( 0.871 3.743 -0.296) 3.854 5.108 ( -1.973 -1.173 -7.098) 7.460 5.157 ( 1.771 4.089 -5.577) 7.139 5.240 ( -1.920 1.931 -0.940) 2.881 5.291 ( 2.026 3.278 1.127) 4.015 5.445 ( -4.199 -1.105 2.658) 5.090 5.509 ( -0.188 2.891 -3.147) 4.277 5.699 ( 0.558 -0.449 -0.917) 1.163 5.781 ( -0.280 -4.852 2.011) 5.259 5.901 ( 1.289 2.240 0.402) 2.616 5.937 ( 0.064 -1.323 0.696) 1.497 6.257 ( 1.142 2.906 -0.454) 3.155 6.345 ( -0.026 3.253 1.413) 3.547 6.446 ( -1.996 -2.740 -4.393) 5.549 8.921 ( -1.774 0.390 -0.396) 1.859 8.943 ( -3.167 1.014 0.413) 3.351 9.078 ( 1.689 3.070 0.484) 3.538 9.203 ( 1.262 1.880 0.373) 2.295 9.667 ( 2.747 -3.529 0.610) 4.514 9.796 ( -0.606 -5.561 -1.946) 5.923 9.869 ( -2.350 -3.052 0.875) 3.950 10.109 ( -1.055 -0.275 1.732) 2.046 10.363 ( 2.079 -9.683 -0.295) 9.908 10.711 ( -4.173 -6.684 -3.950) 8.815 10.880 ( -1.689 1.854 -1.867) 3.127 11.058 ( 2.399 1.967 2.400) 3.922 20.168 ( 2.670 -3.456 -2.251) 4.913 20.290 ( -0.605 3.317 -0.904) 3.491 20.373 ( -0.788 -1.295 -0.488) 1.593 20.600 ( -0.541 -1.217 -6.050) 6.195 20.801 ( 0.513 0.888 6.969) 7.044 21.006 ( 0.146 2.141 3.762) 4.331 21.435 ( 2.699 10.756 10.078) 14.985 21.595 ( -6.871 11.868 -2.818) 14.000 22.043 ( 0.525 0.680 -0.297) 0.909 22.095 ( 0.562 1.152 -0.508) 1.379 22.358 ( -1.228 -3.778 1.322) 4.187 22.502 ( -6.044 -8.861 -1.636) 10.851 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.969 0.534 -1.297) 1.705 0.846 ( 2.257 -1.178 4.640) 5.293 0.948 ( 6.546 -0.619 0.349) 6.584 1.005 ( -0.808 -2.161 -0.186) 2.315 1.077 ( -0.258 0.502 -1.656) 1.749 1.135 ( -0.422 -3.887 -1.549) 4.206 1.265 ( -0.100 -4.491 -0.728) 4.551 1.319 ( -1.033 -0.769 0.421) 1.355 1.390 ( -3.031 -4.102 0.868) 5.174 1.399 ( -0.622 -1.892 0.254) 2.008 1.517 ( 1.711 -1.807 -1.012) 2.687 1.549 ( -1.194 0.271 -0.202) 1.241 1.662 ( 3.535 -4.391 0.170) 5.640 1.721 ( -0.972 3.016 -0.970) 3.314 1.746 ( 0.034 -2.814 -1.948) 3.423 1.789 ( 0.703 2.301 1.037) 2.620 1.880 ( 1.625 5.433 0.358) 5.682 2.008 ( 1.044 5.716 2.547) 6.344 2.173 ( -1.182 1.289 0.614) 1.854 2.336 ( 1.917 -2.404 -1.295) 3.336 2.389 ( 2.377 2.665 2.044) 4.115 2.507 ( 0.402 -0.219 1.266) 1.346 2.556 ( 0.254 0.698 -0.144) 0.756 2.667 ( 0.182 2.267 -3.671) 4.318 2.682 ( 2.075 4.356 0.276) 4.833 2.738 ( 1.667 1.012 2.755) 3.375 2.910 ( -2.127 1.407 -2.815) 3.798 2.938 ( -0.661 1.287 -1.909) 2.396 3.019 ( 0.786 -0.480 0.194) 0.942 3.068 ( -1.089 -3.766 -1.391) 4.160 3.221 ( -1.126 0.641 1.835) 2.246 3.239 ( -0.191 0.750 -3.701) 3.781 3.370 ( -2.640 0.953 -0.660) 2.883 3.408 ( 4.046 4.860 0.478) 6.342 3.447 ( 0.071 -0.258 -0.892) 0.931 3.564 ( 1.895 -1.346 2.411) 3.349 3.607 ( -0.398 -0.447 0.278) 0.660 3.653 ( 0.811 2.125 1.479) 2.713 3.724 ( 4.828 -1.309 -1.440) 5.206 3.780 ( -0.435 1.923 -2.229) 2.976 3.891 ( -2.699 1.010 1.127) 3.094 3.996 ( 4.078 -4.022 0.847) 5.790 4.128 ( -1.132 -4.683 -2.689) 5.518 4.174 ( -2.822 1.848 -1.530) 3.704 4.217 ( 0.624 0.753 0.861) 1.303 4.417 ( -1.501 -1.432 -1.059) 2.329 4.542 ( 2.650 5.332 2.885) 6.617 4.564 ( -2.627 1.637 -1.680) 3.522 4.658 ( -1.116 -0.991 2.245) 2.696 4.665 ( 0.335 -0.260 5.832) 5.847 4.891 ( -3.050 2.720 3.186) 5.182 4.979 ( 3.266 2.661 -3.971) 5.789 5.008 ( 0.239 -3.344 6.563) 7.369 5.085 ( -0.488 -0.846 -3.875) 3.996 5.095 ( 1.920 1.728 -5.279) 5.877 5.190 ( -0.598 1.250 -2.042) 2.468 5.267 ( -0.555 1.883 1.329) 2.371 5.433 ( -4.920 -0.644 2.290) 5.465 5.472 ( 1.346 0.337 -2.115) 2.529 5.678 ( 2.375 2.928 0.495) 3.803 5.816 ( -0.293 -0.354 -0.559) 0.724 5.899 ( -0.404 -1.811 0.880) 2.054 6.040 ( 0.182 -6.585 3.085) 7.274 6.163 ( -1.194 4.737 -2.635) 5.550 6.278 ( 0.922 5.334 0.139) 5.415 6.496 ( -1.550 -4.543 -2.037) 5.214 8.903 ( -1.622 -0.328 -0.736) 1.811 8.922 ( -0.793 -0.196 0.723) 1.091 9.039 ( 0.877 2.666 0.282) 2.821 9.190 ( 1.357 1.216 0.685) 1.947 9.743 ( 1.803 -2.287 -0.125) 2.915 9.845 ( -1.645 -1.490 0.400) 2.255 9.918 ( -0.053 -4.586 -0.618) 4.628 10.089 ( -0.395 2.346 1.883) 3.034 10.557 ( 2.719 -9.162 0.391) 9.565 10.769 ( -3.793 -4.540 -4.181) 7.244 10.813 ( -1.719 2.086 -0.975) 2.873 11.047 ( 1.836 2.427 2.154) 3.729 20.235 ( 0.080 1.388 -0.313) 1.425 20.248 ( 0.985 -3.914 -1.063) 4.174 20.367 ( -0.933 1.164 -0.193) 1.504 20.596 ( -0.324 -1.236 -3.279) 3.519 20.824 ( -0.496 -0.067 3.361) 3.398 21.024 ( 1.012 -1.299 2.368) 2.884 21.297 ( -2.267 6.331 0.247) 6.729 21.376 ( 0.113 10.088 1.605) 10.216 22.036 ( 0.174 0.243 -0.224) 0.373 22.078 ( 0.281 1.073 -0.269) 1.142 22.399 ( -1.559 -2.308 -0.240) 2.796 22.597 ( -1.453 -5.845 0.172) 6.025 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -1.578 3.576 -3.126) 5.005 0.884 ( 1.495 1.597 3.936) 4.503 0.927 ( 0.652 6.741 0.769) 6.815 1.003 ( -1.216 0.961 -2.873) 3.264 1.081 ( 0.324 -1.573 -0.033) 1.607 1.168 ( 0.186 -0.802 -0.584) 1.009 1.283 ( -2.187 -0.929 0.246) 2.389 1.335 ( -1.466 0.771 2.580) 3.066 1.418 ( -2.202 -0.933 -3.284) 4.062 1.459 ( 1.422 -2.328 -0.305) 2.745 1.525 ( -0.409 1.118 0.795) 1.431 1.547 ( 1.071 -1.156 -0.539) 1.665 1.659 ( -1.514 1.395 -0.456) 2.109 1.678 ( 0.036 2.896 0.462) 2.933 1.781 ( -0.068 -2.686 -2.387) 3.594 1.817 ( 1.804 -4.669 -0.401) 5.021 1.833 ( -0.538 1.909 1.422) 2.440 1.945 ( 4.165 7.698 1.054) 8.816 2.135 ( -3.387 -0.597 1.081) 3.605 2.296 ( -1.827 4.485 -1.565) 5.090 2.398 ( 1.262 1.018 -0.099) 1.624 2.502 ( 0.805 0.712 0.531) 1.198 2.551 ( 0.616 -1.677 -0.838) 1.973 2.650 ( -1.400 -2.575 -0.513) 2.976 2.669 ( 2.768 1.850 2.990) 4.475 2.761 ( 2.461 1.290 3.404) 4.394 2.857 ( -3.199 -0.093 -2.352) 3.972 2.923 ( -1.543 -0.604 -1.352) 2.139 3.019 ( 0.741 0.948 2.244) 2.546 3.127 ( -0.157 -4.299 -0.501) 4.331 3.204 ( -0.400 1.337 -0.962) 1.695 3.222 ( -0.796 -0.753 -3.208) 3.390 3.338 ( -1.660 3.200 0.963) 3.732 3.370 ( 0.027 -1.041 0.177) 1.056 3.421 ( 0.259 1.143 -3.379) 3.576 3.579 ( 2.307 2.580 0.364) 3.480 3.632 ( -0.178 -0.079 2.182) 2.191 3.663 ( -0.409 -2.472 3.229) 4.088 3.714 ( 1.744 2.687 -0.990) 3.352 3.802 ( 4.513 -1.724 -1.728) 5.130 3.860 ( -4.340 0.102 2.236) 4.884 4.044 ( -0.023 4.305 1.940) 4.722 4.120 ( 0.292 -1.850 -0.210) 1.884 4.185 ( -1.169 -3.783 -4.896) 6.297 4.234 ( 2.118 -1.564 -1.700) 3.134 4.409 ( -2.970 0.039 -1.481) 3.319 4.473 ( -1.814 2.808 2.203) 4.003 4.534 ( 0.339 0.052 0.869) 0.934 4.679 ( -0.838 -0.046 1.358) 1.596 4.684 ( 0.202 -0.272 3.119) 3.138 4.828 ( 0.410 4.264 0.535) 4.317 4.972 ( 3.428 1.145 -5.711) 6.759 5.038 ( -4.182 -2.146 4.167) 6.282 5.068 ( 3.560 2.090 -1.963) 4.571 5.126 ( 2.394 -3.967 -3.815) 6.002 5.215 ( 0.246 -2.921 0.554) 2.983 5.223 ( -2.466 0.843 2.321) 3.490 5.429 ( -1.789 -1.042 3.065) 3.698 5.490 ( 1.087 -1.822 -1.378) 2.530 5.669 ( 4.411 1.365 -0.224) 4.623 5.798 ( -2.184 1.118 1.046) 2.667 5.943 ( -0.045 -1.950 0.147) 1.956 6.051 ( -2.447 3.413 -2.315) 4.795 6.170 ( 1.560 -1.809 1.805) 2.994 6.199 ( -0.595 0.706 -0.419) 1.014 6.538 ( -0.578 -2.243 -0.972) 2.512 8.910 ( -0.267 -1.727 -0.605) 1.849 8.932 ( 0.054 -0.848 0.618) 1.051 9.011 ( 0.126 1.077 0.119) 1.091 9.188 ( 1.219 0.657 0.845) 1.622 9.739 ( -1.206 2.505 -0.372) 2.805 9.876 ( 1.137 -2.242 0.332) 2.535 9.997 ( 1.581 -2.836 0.553) 3.294 10.050 ( -0.306 1.808 0.588) 1.925 10.616 ( -1.381 5.138 -0.728) 5.370 10.770 ( -0.634 -4.542 -2.125) 5.054 10.837 ( -0.823 -3.172 -0.152) 3.280 11.033 ( 1.476 1.580 1.786) 2.805 20.232 ( 1.094 -0.775 -0.154) 1.350 20.284 ( -1.335 1.863 0.625) 2.375 20.350 ( 0.101 -1.988 -0.219) 2.002 20.609 ( -0.101 -1.720 -0.764) 1.885 20.798 ( -2.113 2.273 -2.482) 3.973 21.028 ( -0.013 1.327 -0.293) 1.359 21.195 ( -0.055 9.101 1.577) 9.237 21.347 ( 1.425 -8.889 0.850) 9.043 22.035 ( -0.021 0.058 -0.018) 0.064 22.064 ( -0.141 0.286 -0.140) 0.348 22.411 ( -0.727 -0.457 -0.831) 1.195 22.674 ( 1.228 -2.999 1.103) 3.424 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -1.877 7.735 -2.733) 8.416 0.717 ( -4.293 12.491 -1.129) 13.256 0.864 ( -0.579 5.248 2.399) 5.799 0.984 ( 0.022 -0.887 -1.322) 1.592 1.108 ( 0.052 -1.201 0.276) 1.234 1.171 ( 0.671 0.423 0.197) 0.817 1.258 ( -0.678 4.867 0.794) 4.978 1.289 ( -1.874 3.229 0.493) 3.765 1.383 ( -0.081 0.094 -2.031) 2.035 1.473 ( 0.475 0.617 -0.049) 0.780 1.493 ( -1.720 2.270 -1.348) 3.151 1.571 ( 2.149 0.176 2.379) 3.210 1.639 ( 0.050 1.183 0.631) 1.342 1.660 ( 2.850 3.765 0.724) 4.777 1.719 ( -1.719 7.085 -1.864) 7.525 1.795 ( -0.708 4.206 0.730) 4.327 1.876 ( -1.987 -5.819 -2.025) 6.474 1.921 ( 0.238 -5.404 -0.067) 5.410 2.176 ( -0.336 -2.395 -0.667) 2.509 2.235 ( -1.276 -1.491 0.601) 2.052 2.362 ( -0.936 1.223 -0.326) 1.574 2.551 ( 2.191 -2.222 1.023) 3.284 2.610 ( 1.999 -3.620 1.840) 4.526 2.673 ( -1.025 -1.996 -2.061) 3.047 2.682 ( 3.028 1.780 3.821) 5.190 2.741 ( -1.988 2.744 2.514) 4.219 2.849 ( -4.377 -4.992 -3.210) 7.374 2.899 ( -0.136 1.785 -1.228) 2.171 3.036 ( -0.588 -0.590 1.109) 1.387 3.138 ( 1.723 2.512 -1.317) 3.319 3.184 ( -1.250 2.920 -1.823) 3.662 3.238 ( 0.711 -2.269 0.295) 2.396 3.282 ( -2.426 -1.081 1.072) 2.865 3.405 ( 0.217 -1.052 2.058) 2.321 3.414 ( 0.766 -0.748 -2.732) 2.934 3.519 ( -0.875 2.266 -1.255) 2.734 3.639 ( 0.751 0.221 -1.011) 1.278 3.692 ( 3.028 -0.062 2.557) 3.964 3.741 ( -1.228 -3.137 -0.134) 3.372 3.820 ( -2.619 0.412 5.887) 6.456 3.861 ( 0.337 -1.835 -3.814) 4.246 3.986 ( 2.225 4.353 2.911) 5.690 4.127 ( -1.445 -0.828 -0.482) 1.734 4.222 ( -0.221 -2.910 -3.969) 4.927 4.294 ( 1.734 -2.961 -0.610) 3.485 4.333 ( -1.813 2.293 -1.441) 3.259 4.473 ( 2.091 1.850 6.276) 6.869 4.574 ( 0.627 -2.649 -1.839) 3.285 4.668 ( -3.521 -2.693 -4.012) 5.979 4.690 ( -0.292 0.836 3.485) 3.596 4.768 ( 0.928 3.220 -1.000) 3.497 4.929 ( 0.208 1.858 -3.277) 3.773 5.020 ( 0.896 1.402 -0.340) 1.698 5.117 ( -0.677 -1.306 2.450) 2.858 5.202 ( 1.208 -5.047 -1.663) 5.450 5.218 ( -0.844 -3.159 0.575) 3.320 5.275 ( 1.227 -0.580 0.911) 1.634 5.468 ( -0.252 -3.045 2.667) 4.055 5.528 ( 1.557 -1.250 -0.494) 2.056 5.690 ( 4.621 0.204 -3.199) 5.624 5.753 ( -5.744 1.382 2.972) 6.613 5.949 ( 1.229 2.160 -0.585) 2.553 5.962 ( -0.469 2.704 -0.802) 2.859 6.122 ( -2.079 2.436 -0.998) 3.355 6.304 ( 0.718 -7.309 1.122) 7.429 6.555 ( 0.541 0.200 0.053) 0.579 8.941 ( 0.510 -1.918 -0.474) 2.040 8.965 ( 0.975 -2.386 0.748) 2.684 9.005 ( -0.853 -0.715 -0.305) 1.154 9.191 ( 0.592 0.328 0.548) 0.871 9.668 ( -1.113 3.964 -0.328) 4.131 9.912 ( 1.220 0.075 0.266) 1.251 9.974 ( 0.788 4.675 1.181) 4.886 10.096 ( 0.945 -4.176 -0.290) 4.292 10.471 ( -1.155 8.479 -0.645) 8.582 10.800 ( -1.253 -0.572 -1.138) 1.787 10.891 ( 0.314 -2.649 0.534) 2.721 11.035 ( 1.198 0.443 1.146) 1.716 20.189 ( -0.976 5.280 -0.219) 5.374 20.296 ( 0.658 -2.993 1.931) 3.622 20.386 ( -0.039 -1.285 -0.486) 1.375 20.656 ( 0.419 -3.994 0.865) 4.108 20.722 ( -1.592 2.210 -3.230) 4.225 20.982 ( 1.763 7.383 -0.029) 7.591 21.074 ( -3.843 -0.248 -3.696) 5.337 21.584 ( 2.464 -14.219 2.064) 14.578 22.027 ( -0.260 0.644 -0.052) 0.696 22.072 ( -0.152 -1.216 0.042) 1.226 22.393 ( -0.149 1.784 -0.791) 1.957 22.726 ( 2.269 -0.718 1.183) 2.658 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -0.000 12.606 -0.000) 12.606 0.471 ( -0.000 12.589 -0.000) 12.589 0.760 ( -0.000 6.366 -0.000) 6.366 0.991 ( -0.000 22.193 -0.000) 22.193 1.000 ( 0.000 -0.697 0.000) 0.697 1.140 ( -0.000 0.510 -0.000) 0.510 1.173 ( -0.000 0.068 -0.000) 0.068 1.242 ( -0.000 2.162 -0.000) 2.162 1.398 ( 0.000 -1.993 0.000) 1.993 1.434 ( -0.000 1.744 -0.000) 1.744 1.479 ( 0.000 -0.570 0.000) 0.570 1.526 ( -0.000 2.998 -0.000) 2.998 1.616 ( 0.000 -2.173 0.000) 2.173 1.633 ( -0.000 0.465 -0.000) 0.465 1.718 ( 0.000 -2.109 0.000) 2.109 1.743 ( -0.000 2.218 -0.000) 2.218 1.958 ( 0.000 -3.642 0.000) 3.642 2.002 ( 0.000 -4.784 0.000) 4.784 2.179 ( 0.000 -0.679 0.000) 0.679 2.294 ( 0.000 -2.285 0.000) 2.285 2.350 ( -0.000 0.198 -0.000) 0.198 2.590 ( 0.000 -1.233 0.000) 1.233 2.649 ( -0.000 2.918 -0.000) 2.918 2.665 ( -0.000 2.258 -0.000) 2.258 2.710 ( 0.000 -3.143 0.000) 3.143 2.725 ( 0.000 -3.971 0.000) 3.971 2.853 ( -0.000 2.573 -0.000) 2.573 2.947 ( 0.000 -7.950 0.000) 7.950 3.028 ( -0.000 0.450 -0.000) 0.450 3.081 ( -0.000 4.483 -0.000) 4.483 3.135 ( -0.000 1.297 -0.000) 1.297 3.158 ( -0.000 8.035 -0.000) 8.035 3.386 ( 0.000 -6.142 0.000) 6.142 3.423 ( 0.000 -0.573 0.000) 0.573 3.437 ( 0.000 -4.564 0.000) 4.564 3.514 ( 0.000 -0.847 0.000) 0.847 3.648 ( 0.000 -1.344 0.000) 1.344 3.707 ( -0.000 0.107 -0.000) 0.107 3.796 ( 0.000 -2.273 0.000) 2.273 3.834 ( -0.000 3.546 -0.000) 3.546 3.858 ( 0.000 -4.712 0.000) 4.712 3.949 ( -0.000 1.654 -0.000) 1.654 4.139 ( 0.000 -1.317 0.000) 1.317 4.259 ( -0.000 1.609 -0.000) 1.609 4.262 ( 0.000 -2.338 0.000) 2.338 4.390 ( 0.000 -2.504 0.000) 2.504 4.462 ( -0.000 2.771 -0.000) 2.771 4.551 ( -0.000 1.209 -0.000) 1.209 4.681 ( -0.000 1.388 -0.000) 1.388 4.714 ( -0.000 1.634 -0.000) 1.634 4.754 ( 0.000 -6.011 0.000) 6.011 4.923 ( 0.000 -3.074 0.000) 3.074 5.014 ( 0.000 -0.376 0.000) 0.376 5.126 ( 0.000 -0.355 0.000) 0.355 5.247 ( 0.000 -0.112 0.000) 0.112 5.267 ( -0.000 1.733 -0.000) 1.733 5.297 ( 0.000 -4.489 0.000) 4.489 5.533 ( -0.000 1.292 -0.000) 1.292 5.546 ( 0.000 -4.893 0.000) 4.893 5.649 ( -0.000 6.353 -0.000) 6.353 5.717 ( -0.000 0.339 -0.000) 0.339 5.917 ( -0.000 1.840 -0.000) 1.840 5.943 ( -0.000 0.827 -0.000) 0.827 6.089 ( 0.000 -2.282 0.000) 2.282 6.442 ( 0.000 -7.766 0.000) 7.766 6.531 ( -0.000 3.118 -0.000) 3.118 8.981 ( 0.000 -2.403 0.000) 2.403 9.014 ( 0.000 -1.505 0.000) 1.505 9.028 ( 0.000 -3.451 0.000) 3.451 9.189 ( -0.000 0.386 -0.000) 0.386 9.596 ( -0.000 3.493 -0.000) 3.493 9.878 ( -0.000 5.007 -0.000) 5.007 9.894 ( -0.000 4.875 -0.000) 4.875 10.163 ( 0.000 -2.851 0.000) 2.851 10.337 ( -0.000 5.920 -0.000) 5.920 10.792 ( -0.000 0.003 -0.000) 0.003 10.925 ( 0.000 -1.130 0.000) 1.130 11.033 ( -0.000 1.034 -0.000) 1.034 20.091 ( -0.000 4.961 -0.000) 4.961 20.350 ( 0.000 -1.813 0.000) 1.813 20.385 ( -0.000 0.842 -0.000) 0.842 20.683 ( -0.000 0.649 -0.000) 0.649 20.772 ( 0.000 -8.134 0.000) 8.134 20.838 ( -0.000 7.524 -0.000) 7.524 21.083 ( 0.000 -2.260 0.000) 2.260 21.846 ( 0.000 -13.636 0.000) 13.636 22.016 ( -0.000 0.350 -0.000) 0.350 22.094 ( 0.000 -1.284 0.000) 1.284 22.343 ( -0.000 3.649 -0.000) 3.649 22.741 ( -0.000 0.785 -0.000) 0.785 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 10.434 0.000 7.005) 12.567 0.509 ( 11.153 0.000 7.976) 13.711 0.795 ( 8.118 0.000 -1.188) 8.204 0.919 ( 2.482 0.000 -0.655) 2.567 0.979 ( -5.208 -0.000 -1.229) 5.351 1.088 ( 9.928 0.000 4.454) 10.881 1.199 ( 6.574 0.000 -3.076) 7.258 1.219 ( 3.954 0.000 1.002) 4.079 1.387 ( -2.812 -0.000 -0.438) 2.846 1.407 ( -6.556 -0.000 -4.300) 7.841 1.477 ( 2.385 0.000 1.940) 3.074 1.490 ( 1.177 0.000 -2.016) 2.335 1.569 ( -2.919 -0.000 0.598) 2.979 1.718 ( -2.632 -0.000 -0.861) 2.769 1.768 ( 1.304 0.000 6.356) 6.488 1.896 ( 2.103 0.000 -0.672) 2.208 2.057 ( 5.494 0.000 -3.085) 6.301 2.179 ( 0.421 0.000 -1.096) 1.174 2.182 ( -2.090 -0.000 -2.747) 3.452 2.265 ( 2.551 0.000 -1.150) 2.798 2.468 ( -3.490 -0.000 -0.098) 3.491 2.495 ( -2.634 -0.000 6.161) 6.700 2.568 ( 2.415 0.000 -4.230) 4.871 2.638 ( -4.745 -0.000 6.351) 7.928 2.772 ( 0.157 0.000 -1.923) 1.929 2.855 ( 3.719 0.000 -4.331) 5.709 2.890 ( -0.349 -0.000 0.874) 0.941 3.012 ( 3.276 0.000 2.748) 4.276 3.026 ( 3.694 0.000 -0.083) 3.695 3.085 ( 2.450 0.000 1.889) 3.094 3.192 ( 0.039 0.000 -1.843) 1.843 3.323 ( 1.570 0.000 1.747) 2.349 3.334 ( 3.075 0.000 -4.618) 5.548 3.428 ( 6.085 0.000 0.259) 6.091 3.494 ( -4.080 -0.000 -9.597) 10.429 3.583 ( 5.081 0.000 -1.650) 5.342 3.605 ( 0.342 0.000 -1.444) 1.484 3.638 ( 0.359 0.000 0.601) 0.701 3.755 ( 4.479 0.000 -0.015) 4.479 3.802 ( -1.238 -0.000 2.874) 3.129 3.858 ( -2.370 -0.000 -7.957) 8.303 4.039 ( -5.377 -0.000 -4.474) 6.995 4.074 ( 4.501 0.000 3.485) 5.693 4.145 ( -2.169 -0.000 0.568) 2.242 4.202 ( 2.506 0.000 -1.853) 3.117 4.462 ( 4.243 0.000 -0.073) 4.243 4.488 ( 2.877 0.000 1.683) 3.333 4.615 ( 1.913 0.000 4.222) 4.635 4.665 ( 0.041 0.000 4.961) 4.961 4.734 ( -0.058 -0.000 2.427) 2.428 4.828 ( -9.445 -0.000 9.097) 13.113 5.051 ( -2.603 -0.000 0.443) 2.640 5.053 ( -5.062 -0.000 -0.896) 5.141 5.099 ( -5.095 -0.000 -5.309) 7.358 5.197 ( 0.337 0.000 -2.774) 2.794 5.293 ( -1.913 -0.000 1.426) 2.386 5.410 ( 1.056 0.000 -3.569) 3.722 5.513 ( -2.075 -0.000 5.557) 5.932 5.561 ( -2.040 -0.000 -3.877) 4.381 5.599 ( 0.005 0.000 -0.116) 0.116 5.733 ( -0.596 -0.000 -3.397) 3.449 5.930 ( 1.828 0.000 -0.607) 1.926 5.992 ( 1.196 0.000 -2.642) 2.900 6.079 ( 0.368 0.000 3.586) 3.604 6.463 ( 5.240 0.000 0.678) 5.284 6.513 ( -2.207 -0.000 -4.391) 4.914 8.939 ( -2.930 -0.000 0.044) 2.931 8.962 ( -2.749 -0.000 0.691) 2.834 9.148 ( 2.097 0.000 0.961) 2.306 9.259 ( 1.235 0.000 1.355) 1.833 9.601 ( 2.557 0.000 0.368) 2.584 9.646 ( -0.051 -0.000 -3.171) 3.172 9.822 ( -0.140 -0.000 0.937) 0.948 9.925 ( 0.144 0.000 1.295) 1.303 10.220 ( 0.131 0.000 -0.538) 0.554 10.566 ( -3.715 -0.000 -1.089) 3.872 10.905 ( -1.037 -0.000 -1.839) 2.111 11.098 ( 2.528 0.000 2.364) 3.461 20.111 ( 2.939 0.000 -5.432) 6.176 20.326 ( -0.211 -0.000 -1.153) 1.172 20.377 ( 0.206 0.000 0.039) 0.210 20.573 ( -1.021 -0.000 -7.091) 7.164 20.875 ( 0.222 0.000 7.713) 7.716 21.081 ( -1.650 -0.000 0.383) 1.694 21.819 ( -11.632 -0.000 -5.125) 12.711 21.833 ( -7.580 -0.000 20.300) 21.670 22.058 ( -1.439 -0.000 -0.645) 1.577 22.156 ( -0.148 -0.000 0.227) 0.271 22.161 ( -0.426 -0.000 0.936) 1.028 22.236 ( -1.206 -0.000 1.833) 2.195 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 9.618 -4.424 8.049) 13.300 0.698 ( 7.396 -10.545 3.477) 13.341 0.841 ( 4.197 0.204 -1.256) 4.386 0.941 ( -0.187 -3.030 -1.984) 3.627 0.946 ( -2.881 -0.779 -0.518) 3.029 1.130 ( 1.107 0.814 -0.975) 1.685 1.241 ( 3.464 1.996 0.758) 4.069 1.259 ( 4.768 0.109 -0.707) 4.822 1.339 ( -1.803 -0.952 -2.874) 3.523 1.375 ( -0.577 -0.884 0.271) 1.090 1.503 ( -3.459 2.489 0.029) 4.261 1.514 ( 1.836 -1.002 -2.058) 2.934 1.545 ( 3.578 -2.076 2.409) 4.787 1.699 ( -2.459 -0.901 -1.039) 2.818 1.796 ( 1.073 1.233 5.912) 6.134 1.873 ( 2.038 2.879 0.595) 3.577 2.089 ( 2.215 3.849 -0.107) 4.442 2.111 ( -1.207 -0.247 -4.578) 4.741 2.207 ( 1.774 0.119 -2.373) 2.965 2.273 ( 1.756 -0.490 0.200) 1.834 2.414 ( 1.680 2.352 2.478) 3.808 2.489 ( -0.904 0.010 1.504) 1.755 2.574 ( -1.384 -1.457 1.627) 2.585 2.726 ( -1.357 -4.123 0.309) 4.352 2.755 ( -2.919 -2.243 -1.598) 4.013 2.842 ( -0.302 3.859 -1.810) 4.273 2.878 ( 2.884 1.008 -0.055) 3.055 2.993 ( 0.450 3.242 -2.417) 4.069 3.043 ( 5.166 2.885 2.410) 6.389 3.079 ( -0.845 1.411 -3.066) 3.480 3.174 ( -1.716 -1.015 -5.080) 5.458 3.321 ( 3.225 0.665 1.875) 3.789 3.407 ( 3.620 -1.184 3.046) 4.877 3.420 ( -1.478 -0.556 -4.181) 4.469 3.497 ( 2.164 -2.274 -0.975) 3.287 3.553 ( 3.370 4.277 -3.540) 6.495 3.619 ( 4.029 1.646 1.126) 4.495 3.674 ( 1.436 -2.191 -1.421) 2.981 3.761 ( 3.674 1.154 0.224) 3.858 3.778 ( -0.162 2.782 0.853) 2.915 3.894 ( 0.215 -4.574 -3.655) 5.859 3.947 ( -5.587 1.817 -2.436) 6.360 4.090 ( 3.150 3.024 2.293) 4.933 4.143 ( -3.094 -1.886 0.816) 3.714 4.222 ( 4.521 -0.410 -1.360) 4.739 4.444 ( -1.299 2.099 -0.116) 2.472 4.564 ( 0.938 -3.224 2.161) 3.992 4.645 ( 2.410 0.585 3.830) 4.563 4.656 ( -0.335 2.899 3.920) 4.887 4.728 ( 1.074 2.202 3.229) 4.053 4.839 ( -5.175 -3.883 6.135) 8.916 4.972 ( -6.320 2.651 1.245) 6.966 5.022 ( -3.929 -0.651 -4.085) 5.705 5.076 ( 0.572 -1.359 -0.914) 1.734 5.178 ( 0.262 0.633 -4.939) 4.986 5.273 ( -2.011 1.491 1.502) 2.920 5.361 ( -0.182 2.750 -0.479) 2.797 5.474 ( -0.219 5.907 -1.850) 6.194 5.512 ( -2.747 0.917 -2.707) 3.964 5.657 ( 0.495 -2.544 -0.898) 2.743 5.709 ( 0.628 -4.017 3.573) 5.413 5.931 ( -1.355 1.324 -0.553) 1.974 5.976 ( 2.837 1.591 -1.628) 3.638 6.179 ( -2.345 -7.884 0.988) 8.284 6.417 ( -1.164 5.859 -3.966) 7.170 6.473 ( 3.633 3.718 0.503) 5.222 8.912 ( -2.168 0.700 0.052) 2.279 8.938 ( -2.059 0.732 0.560) 2.256 9.146 ( 1.926 2.470 0.751) 3.221 9.252 ( 0.875 2.002 0.724) 2.302 9.638 ( 2.181 -2.303 0.597) 3.228 9.690 ( 0.504 -5.303 -2.198) 5.763 9.810 ( -1.663 -1.117 1.010) 2.243 10.046 ( -0.181 -7.962 1.497) 8.104 10.245 ( 1.007 -3.936 -0.817) 4.144 10.565 ( -3.559 -3.858 -2.062) 5.639 10.881 ( -1.384 0.820 -1.971) 2.544 11.116 ( 2.138 1.183 1.917) 3.106 20.127 ( 1.851 -1.960 -2.848) 3.921 20.329 ( -0.010 0.375 -1.344) 1.396 20.357 ( 0.151 1.332 0.415) 1.403 20.544 ( -1.231 -1.309 -5.886) 6.154 20.878 ( 1.044 3.028 6.926) 7.631 21.054 ( -1.095 1.790 1.585) 2.630 21.587 ( -8.862 9.579 -3.979) 13.643 21.788 ( -2.691 9.109 11.691) 15.063 22.050 ( -0.076 -0.026 -0.728) 0.733 22.127 ( 1.297 1.818 0.163) 2.239 22.273 ( -4.644 -5.119 -0.684) 6.945 22.281 ( -0.865 -9.465 1.344) 9.599 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 2.668 0.320 -0.590) 2.751 0.859 ( 3.885 -3.258 5.968) 7.831 0.933 ( 2.432 -5.496 -1.846) 6.287 0.958 ( 1.391 -3.276 1.343) 3.804 1.007 ( -0.824 -6.275 -1.110) 6.426 1.105 ( 0.186 1.308 -1.274) 1.836 1.218 ( -0.561 -0.051 -1.401) 1.510 1.288 ( -0.779 -1.891 0.523) 2.111 1.354 ( 1.314 -0.399 -0.360) 1.419 1.380 ( -1.569 1.719 -0.300) 2.347 1.470 ( -0.100 -3.566 0.156) 3.571 1.537 ( 2.108 -0.957 -1.206) 2.610 1.627 ( 2.547 -2.151 0.565) 3.381 1.693 ( -2.156 -1.681 -1.663) 3.200 1.774 ( 0.206 3.542 0.177) 3.552 1.867 ( 2.298 2.624 3.906) 5.237 1.990 ( 0.920 5.839 0.375) 5.923 2.083 ( -2.450 2.322 -2.143) 3.998 2.192 ( 1.408 1.908 -0.261) 2.385 2.323 ( 4.582 -2.189 -0.018) 5.078 2.441 ( 2.319 -0.369 3.117) 3.902 2.494 ( -1.927 -0.721 1.026) 2.300 2.588 ( 0.170 0.839 2.305) 2.458 2.708 ( 0.657 2.139 -2.994) 3.737 2.755 ( 0.229 5.072 -0.858) 5.149 2.791 ( -0.805 -2.063 -0.066) 2.216 2.876 ( 0.038 -0.085 -1.847) 1.850 2.936 ( -0.084 2.544 -0.877) 2.692 3.022 ( -2.638 -0.107 -3.822) 4.646 3.038 ( 2.969 2.130 0.277) 3.665 3.186 ( -0.325 -3.458 -4.149) 5.411 3.284 ( -1.894 4.905 2.598) 5.865 3.375 ( -0.040 2.571 -1.547) 3.001 3.447 ( 0.432 -0.007 -0.872) 0.973 3.519 ( 4.731 3.657 -2.024) 6.313 3.575 ( 2.852 -1.197 3.667) 4.797 3.617 ( 0.302 1.174 2.176) 2.491 3.697 ( 2.872 -1.546 -0.522) 3.303 3.726 ( -0.006 2.036 -0.062) 2.037 3.790 ( 3.278 -0.018 -4.164) 5.299 3.876 ( -4.911 0.038 1.684) 5.192 3.978 ( 3.421 -4.155 -2.972) 6.149 4.073 ( 2.635 1.642 1.401) 3.406 4.152 ( -2.747 -1.348 1.056) 3.237 4.254 ( 2.093 1.116 0.699) 2.473 4.390 ( -3.681 0.997 -1.037) 3.952 4.583 ( -3.030 -0.809 1.289) 3.390 4.599 ( -0.817 4.209 0.880) 4.377 4.692 ( 1.240 2.732 1.765) 3.481 4.713 ( 4.396 0.619 6.057) 7.510 4.879 ( -4.492 0.463 -1.216) 4.677 4.915 ( -3.959 -4.858 4.411) 7.663 5.021 ( -0.469 -1.908 -4.237) 4.670 5.103 ( 2.789 0.387 2.633) 3.855 5.136 ( 2.306 2.950 -5.533) 6.681 5.203 ( -1.275 4.495 -0.005) 4.672 5.331 ( 1.331 2.338 0.782) 2.802 5.382 ( -4.980 0.761 -0.886) 5.115 5.473 ( -0.572 0.333 -1.845) 1.961 5.681 ( -0.573 -3.001 -2.028) 3.667 5.799 ( 0.252 -0.698 1.862) 2.004 5.931 ( 0.950 -0.504 1.367) 1.739 5.969 ( 2.292 -0.991 1.762) 3.056 6.222 ( -2.285 4.418 -0.531) 5.002 6.314 ( -3.677 -2.115 -3.845) 5.725 6.440 ( 2.941 2.663 0.030) 3.968 8.884 ( -1.763 0.346 -0.297) 1.821 8.920 ( -0.683 0.282 0.565) 0.930 9.105 ( 0.971 3.729 0.472) 3.882 9.231 ( 1.348 1.712 0.705) 2.290 9.709 ( 1.943 -3.351 0.098) 3.875 9.779 ( -0.175 -4.865 -0.933) 4.956 9.841 ( -1.908 -3.480 0.802) 4.049 10.118 ( -0.009 -0.306 1.923) 1.948 10.397 ( 2.379 -11.355 -0.623) 11.619 10.616 ( -3.436 -6.367 -2.509) 7.658 10.834 ( -1.643 2.214 -1.619) 3.197 11.110 ( 1.505 2.100 1.464) 2.970 20.181 ( 0.967 -3.834 -1.009) 4.081 20.274 ( -0.281 3.310 -1.195) 3.530 20.367 ( 0.125 -0.460 0.398) 0.621 20.546 ( -0.718 -2.176 -3.716) 4.366 20.870 ( 1.159 2.429 5.259) 5.907 21.033 ( -0.131 0.450 2.088) 2.140 21.343 ( -6.751 7.751 -5.959) 11.881 21.635 ( 1.179 12.991 7.465) 15.030 22.044 ( 0.113 0.465 -0.394) 0.620 22.104 ( 0.776 1.818 -0.173) 1.984 22.316 ( -2.906 -4.662 -1.137) 5.610 22.451 ( -0.978 -9.670 1.098) 9.781 ======================= Grid point 22 (16/93) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.230 3.035 -1.012) 3.208 0.928 ( 1.514 -0.132 3.910) 4.194 0.975 ( -0.699 -1.578 -1.770) 2.472 1.046 ( 3.979 -1.073 -2.053) 4.604 1.072 ( 0.579 3.262 1.347) 3.577 1.117 ( -0.247 -4.857 -0.457) 4.885 1.232 ( -2.557 -2.407 -0.399) 3.534 1.292 ( -1.228 -3.066 -0.379) 3.325 1.378 ( -0.433 -0.961 1.630) 1.941 1.402 ( -0.041 -4.330 0.046) 4.330 1.517 ( -1.219 -2.480 -0.189) 2.770 1.554 ( 2.496 2.480 -0.808) 3.610 1.671 ( -1.175 -4.804 -1.463) 5.157 1.700 ( -0.472 4.176 -0.491) 4.231 1.737 ( 1.272 -3.645 -0.455) 3.887 1.796 ( -0.600 6.365 1.340) 6.532 1.927 ( 2.217 5.061 -0.617) 5.559 2.024 ( -0.280 0.389 0.319) 0.576 2.158 ( -1.159 3.395 1.314) 3.821 2.379 ( 2.680 4.174 -0.706) 5.011 2.433 ( 1.882 0.543 1.941) 2.757 2.502 ( -1.518 -1.944 0.248) 2.479 2.576 ( -0.795 -0.316 -0.321) 0.913 2.605 ( -0.978 7.654 -1.646) 7.890 2.740 ( 3.037 0.594 0.857) 3.211 2.814 ( 1.629 -0.187 1.185) 2.023 2.856 ( -0.132 1.584 0.757) 1.760 2.905 ( -0.020 1.023 -1.379) 1.718 3.022 ( -1.985 -4.038 -2.060) 4.948 3.032 ( -1.630 -0.908 -0.032) 1.866 3.207 ( -0.190 2.123 -1.286) 2.490 3.230 ( 1.786 -0.956 0.226) 2.039 3.329 ( -0.494 1.099 -0.922) 1.517 3.387 ( -4.010 3.837 -1.074) 5.653 3.484 ( 3.542 3.733 -0.885) 5.221 3.619 ( 2.254 -1.359 2.556) 3.669 3.642 ( 1.360 -1.292 2.227) 2.912 3.667 ( -0.726 3.238 1.193) 3.526 3.747 ( -1.169 0.310 -1.243) 1.734 3.794 ( 3.798 -1.056 -4.335) 5.860 3.852 ( -2.768 0.759 2.779) 3.995 4.055 ( 1.272 -3.087 -0.821) 3.439 4.103 ( 1.410 -2.353 -1.492) 3.123 4.150 ( 1.004 2.439 2.276) 3.484 4.220 ( -1.991 0.674 -1.067) 2.357 4.357 ( -2.490 -1.270 -0.909) 2.939 4.509 ( -1.651 5.018 -0.295) 5.291 4.588 ( 0.178 -0.037 1.899) 1.908 4.666 ( 1.389 1.389 -0.793) 2.118 4.727 ( -1.343 1.709 3.937) 4.497 4.884 ( 1.455 -1.177 4.636) 4.999 4.973 ( -0.815 0.718 -3.528) 3.691 5.020 ( -1.233 -5.841 -3.598) 6.971 5.055 ( 0.847 5.338 -0.363) 5.417 5.113 ( 1.374 0.962 -1.592) 2.312 5.192 ( 1.845 -1.755 2.119) 3.313 5.254 ( -2.318 4.820 0.128) 5.350 5.388 ( -1.312 -3.051 0.304) 3.335 5.469 ( 0.048 -0.496 -0.598) 0.778 5.726 ( 2.327 -0.941 -0.096) 2.512 5.797 ( -1.322 0.329 0.458) 1.437 5.924 ( 1.643 0.932 0.886) 2.086 6.038 ( -1.870 -1.700 0.271) 2.542 6.138 ( 0.142 0.072 -0.255) 0.300 6.276 ( -0.617 4.317 -0.522) 4.392 6.463 ( -0.384 -3.922 -1.124) 4.098 8.878 ( -0.693 -1.042 -0.248) 1.275 8.920 ( -0.149 -0.455 0.303) 0.567 9.052 ( 0.351 3.073 0.186) 3.098 9.218 ( 0.938 1.297 0.563) 1.696 9.758 ( 0.398 -0.128 -0.214) 0.470 9.833 ( -0.373 -3.138 0.410) 3.186 9.914 ( -0.065 -5.570 -0.346) 5.581 10.106 ( 0.294 2.376 1.214) 2.684 10.603 ( 2.432 -8.814 0.570) 9.161 10.676 ( -3.145 -3.488 -2.645) 5.390 10.783 ( -0.926 0.167 -0.383) 1.016 11.085 ( 0.784 2.425 0.897) 2.702 20.230 ( 0.070 0.774 -0.388) 0.868 20.255 ( 0.249 -3.958 -0.232) 3.973 20.356 ( -0.269 1.715 0.106) 1.739 20.569 ( -0.210 -2.243 -1.423) 2.664 20.837 ( -0.436 3.831 1.313) 4.073 21.046 ( 0.306 0.648 0.221) 0.750 21.227 ( -1.998 -2.846 -1.178) 3.671 21.432 ( 1.039 14.220 2.269) 14.437 22.036 ( 0.020 0.273 -0.143) 0.309 22.079 ( 0.134 1.360 -0.118) 1.372 22.368 ( -0.993 -3.364 -0.525) 3.546 22.594 ( -0.015 -7.034 0.600) 7.059 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.000 4.684 -0.000) 4.684 0.919 ( -0.000 10.379 -0.000) 10.379 0.951 ( -0.000 4.868 -0.000) 4.868 0.961 ( 0.000 -1.084 0.000) 1.084 1.083 ( 0.000 -1.653 0.000) 1.653 1.166 ( 0.000 -1.289 0.000) 1.289 1.267 ( 0.000 -1.854 0.000) 1.854 1.350 ( 0.000 -2.849 0.000) 2.849 1.353 ( -0.000 3.310 -0.000) 3.310 1.481 ( 0.000 -1.866 0.000) 1.866 1.518 ( -0.000 1.872 -0.000) 1.872 1.552 ( 0.000 -2.721 0.000) 2.721 1.648 ( -0.000 0.124 -0.000) 0.124 1.687 ( -0.000 4.681 -0.000) 4.681 1.758 ( 0.000 -5.642 0.000) 5.642 1.831 ( 0.000 -5.548 0.000) 5.548 1.838 ( -0.000 5.539 -0.000) 5.539 2.015 ( -0.000 13.441 -0.000) 13.441 2.087 ( 0.000 -5.954 0.000) 5.954 2.269 ( -0.000 5.703 -0.000) 5.703 2.408 ( -0.000 5.157 -0.000) 5.157 2.526 ( 0.000 -2.302 0.000) 2.302 2.561 ( 0.000 -3.151 0.000) 3.151 2.600 ( 0.000 -2.969 0.000) 2.969 2.754 ( 0.000 -0.770 0.000) 0.770 2.771 ( -0.000 3.688 -0.000) 3.688 2.823 ( -0.000 4.604 -0.000) 4.604 2.899 ( 0.000 -0.952 0.000) 0.952 3.043 ( 0.000 -0.378 0.000) 0.378 3.118 ( 0.000 -7.512 0.000) 7.512 3.182 ( -0.000 0.886 -0.000) 0.886 3.212 ( -0.000 3.105 -0.000) 3.105 3.315 ( -0.000 2.155 -0.000) 2.155 3.353 ( 0.000 -3.506 0.000) 3.506 3.440 ( -0.000 2.590 -0.000) 2.590 3.579 ( -0.000 5.238 -0.000) 5.238 3.649 ( -0.000 0.330 -0.000) 0.330 3.680 ( 0.000 -1.415 0.000) 1.415 3.745 ( -0.000 0.027 -0.000) 0.027 3.809 ( 0.000 -0.633 0.000) 0.633 3.837 ( 0.000 -0.156 0.000) 0.156 4.083 ( -0.000 4.893 -0.000) 4.893 4.095 ( 0.000 -1.540 0.000) 1.540 4.154 ( 0.000 -3.390 0.000) 3.390 4.239 ( 0.000 -3.171 0.000) 3.171 4.376 ( -0.000 1.700 -0.000) 1.700 4.440 ( 0.000 -1.908 0.000) 1.908 4.598 ( -0.000 0.698 -0.000) 0.698 4.634 ( -0.000 1.744 -0.000) 1.744 4.711 ( -0.000 0.736 -0.000) 0.736 4.849 ( -0.000 5.636 -0.000) 5.636 4.976 ( -0.000 3.921 -0.000) 3.921 5.007 ( 0.000 -4.677 0.000) 4.677 5.114 ( 0.000 -0.343 0.000) 0.343 5.123 ( 0.000 -5.151 0.000) 5.151 5.156 ( -0.000 1.230 -0.000) 1.230 5.260 ( 0.000 -2.392 0.000) 2.392 5.433 ( 0.000 -2.300 0.000) 2.300 5.489 ( 0.000 -2.288 0.000) 2.288 5.733 ( -0.000 1.529 -0.000) 1.529 5.762 ( -0.000 2.189 -0.000) 2.189 5.949 ( 0.000 -1.726 0.000) 1.726 6.012 ( -0.000 2.602 -0.000) 2.602 6.184 ( -0.000 5.219 -0.000) 5.219 6.197 ( 0.000 -5.298 0.000) 5.298 6.526 ( 0.000 -3.282 0.000) 3.282 8.904 ( 0.000 -2.201 0.000) 2.201 8.935 ( 0.000 -1.382 0.000) 1.382 9.013 ( -0.000 1.606 -0.000) 1.606 9.205 ( -0.000 0.827 -0.000) 0.827 9.726 ( -0.000 3.159 -0.000) 3.159 9.889 ( 0.000 -2.816 0.000) 2.816 10.011 ( 0.000 -5.542 0.000) 5.542 10.056 ( -0.000 3.830 -0.000) 3.830 10.596 ( -0.000 6.555 -0.000) 6.555 10.751 ( 0.000 -4.887 0.000) 4.887 10.832 ( 0.000 -4.311 0.000) 4.311 11.056 ( -0.000 1.380 -0.000) 1.380 20.247 ( 0.000 -2.535 0.000) 2.535 20.269 ( -0.000 3.519 -0.000) 3.519 20.350 ( 0.000 -2.282 0.000) 2.282 20.604 ( 0.000 -2.396 0.000) 2.396 20.763 ( -0.000 4.022 -0.000) 4.022 21.029 ( -0.000 0.217 -0.000) 0.217 21.201 ( -0.000 13.330 -0.000) 13.330 21.367 ( 0.000 -12.032 0.000) 12.032 22.035 ( -0.000 0.058 -0.000) 0.058 22.061 ( -0.000 0.452 -0.000) 0.452 22.400 ( 0.000 -0.738 0.000) 0.738 22.693 ( 0.000 -4.196 0.000) 4.196 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 9.256 0.000 5.621) 10.829 0.756 ( 10.350 0.000 7.624) 12.855 0.885 ( 2.223 0.000 -1.054) 2.460 0.893 ( -1.441 -0.000 -1.516) 2.092 0.921 ( -0.086 -0.000 0.234) 0.249 1.118 ( -2.156 -0.000 -4.203) 4.724 1.253 ( -6.951 -0.000 -4.256) 8.151 1.282 ( 0.333 0.000 -1.769) 1.800 1.327 ( 6.698 0.000 2.702) 7.223 1.363 ( 0.068 0.000 -0.769) 0.772 1.512 ( -0.868 -0.000 0.438) 0.973 1.528 ( 0.938 0.000 1.929) 2.145 1.573 ( 4.919 0.000 0.892) 4.999 1.650 ( -3.844 -0.000 -1.572) 4.153 1.854 ( 1.972 0.000 8.360) 8.589 1.913 ( 1.169 0.000 -1.269) 1.725 2.068 ( 0.396 0.000 -6.248) 6.261 2.168 ( 0.175 0.000 -2.541) 2.547 2.194 ( 3.802 0.000 1.580) 4.117 2.289 ( 1.496 0.000 0.823) 1.708 2.406 ( -2.968 -0.000 -0.393) 2.994 2.494 ( -1.831 -0.000 -0.081) 1.833 2.576 ( 0.526 0.000 -5.160) 5.186 2.670 ( -0.737 -0.000 11.816) 11.839 2.711 ( -1.829 -0.000 -1.691) 2.491 2.873 ( 3.791 0.000 -4.776) 6.098 2.937 ( 1.347 0.000 5.019) 5.197 3.014 ( -1.236 -0.000 -5.838) 5.968 3.035 ( -0.619 -0.000 -5.572) 5.607 3.055 ( -6.144 -0.000 -1.849) 6.416 3.189 ( 3.427 0.000 -0.092) 3.428 3.372 ( 0.306 0.000 -0.548) 0.628 3.385 ( 1.888 0.000 3.324) 3.823 3.435 ( 7.439 0.000 1.252) 7.544 3.490 ( -0.043 -0.000 -0.383) 0.386 3.632 ( 4.390 0.000 -4.945) 6.613 3.649 ( 6.444 0.000 -2.119) 6.784 3.687 ( 2.163 0.000 2.601) 3.382 3.786 ( 1.039 0.000 -5.121) 5.226 3.807 ( -1.962 -0.000 2.111) 2.882 3.869 ( 6.286 0.000 2.016) 6.602 3.892 ( -8.883 -0.000 -1.789) 9.061 4.108 ( -2.089 -0.000 2.076) 2.945 4.150 ( 2.559 0.000 0.858) 2.699 4.251 ( 5.539 0.000 -1.763) 5.813 4.461 ( -2.972 -0.000 -2.526) 3.900 4.525 ( -1.515 -0.000 3.777) 4.069 4.675 ( 0.062 0.000 2.274) 2.275 4.702 ( 0.235 0.000 3.315) 3.324 4.777 ( -5.745 -0.000 7.993) 9.843 4.795 ( 3.288 0.000 0.952) 3.423 4.939 ( -3.713 -0.000 -2.487) 4.469 4.992 ( -1.403 -0.000 -0.669) 1.554 5.049 ( 0.277 0.000 -0.886) 0.928 5.168 ( -0.605 -0.000 -2.891) 2.954 5.244 ( -4.636 -0.000 0.306) 4.646 5.380 ( -0.562 -0.000 -3.021) 3.073 5.495 ( -1.818 -0.000 -2.437) 3.040 5.558 ( 0.942 0.000 4.499) 4.596 5.612 ( 0.853 0.000 1.313) 1.566 5.694 ( -0.920 -0.000 -2.673) 2.827 5.923 ( -2.573 -0.000 -2.700) 3.729 5.980 ( 1.929 0.000 -2.231) 2.949 6.101 ( -0.595 -0.000 2.065) 2.149 6.452 ( -0.916 -0.000 -2.646) 2.800 6.545 ( 3.474 0.000 0.843) 3.575 8.908 ( -1.334 -0.000 0.434) 1.403 8.934 ( -1.336 -0.000 0.418) 1.400 9.187 ( 1.723 0.000 0.567) 1.813 9.277 ( 0.120 0.000 0.616) 0.628 9.623 ( -0.205 -0.000 -1.506) 1.519 9.642 ( 1.794 0.000 0.337) 1.826 9.822 ( -0.413 -0.000 0.290) 0.505 9.938 ( 0.170 0.000 0.809) 0.827 10.224 ( 0.601 0.000 0.029) 0.601 10.506 ( -2.231 -0.000 -0.945) 2.423 10.869 ( -1.111 -0.000 -1.708) 2.037 11.147 ( 1.478 0.000 1.226) 1.920 20.111 ( 1.088 0.000 -1.985) 2.264 20.329 ( 1.292 0.000 0.467) 1.373 20.380 ( 0.139 0.000 0.028) 0.142 20.487 ( -2.311 -0.000 -5.776) 6.221 20.947 ( 1.084 0.000 5.580) 5.685 21.061 ( -1.030 -0.000 0.267) 1.064 21.584 ( -9.885 -0.000 -4.569) 10.890 21.884 ( -2.484 -0.000 9.123) 9.456 22.042 ( -0.272 -0.000 -0.525) 0.591 22.154 ( -0.221 -0.000 0.067) 0.231 22.171 ( 0.102 0.000 1.803) 1.806 22.223 ( -1.066 -0.000 -0.525) 1.189 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 4.011 -3.779 1.067) 5.613 0.845 ( 2.348 0.649 0.128) 2.440 0.891 ( 0.882 -1.567 0.768) 1.955 0.916 ( 3.397 -3.661 6.886) 8.507 0.953 ( 2.038 -1.431 -0.468) 2.534 1.076 ( -4.162 -1.072 -4.787) 6.433 1.191 ( -4.074 -0.555 -2.593) 4.861 1.278 ( 0.131 -0.722 -0.701) 1.015 1.344 ( 0.690 0.886 -0.529) 1.241 1.409 ( 3.407 -0.564 1.352) 3.708 1.457 ( -1.885 2.694 -0.127) 3.290 1.552 ( 1.684 -0.246 0.760) 1.864 1.608 ( 1.974 -1.420 0.075) 2.433 1.643 ( -2.523 -1.553 -1.033) 3.138 1.851 ( 0.953 4.498 1.191) 4.750 1.925 ( 1.931 0.191 3.864) 4.323 2.051 ( -1.335 -0.519 -3.889) 4.145 2.100 ( 0.164 5.167 -0.564) 5.201 2.237 ( 2.160 0.833 -0.028) 2.315 2.321 ( 2.791 -1.921 1.367) 3.654 2.426 ( -2.064 -3.335 0.174) 3.926 2.478 ( 0.165 0.388 -0.866) 0.963 2.570 ( -1.132 -3.601 -1.203) 3.962 2.710 ( -0.654 0.944 2.850) 3.073 2.724 ( -0.823 -1.832 2.037) 2.861 2.849 ( 3.805 3.503 -2.241) 5.637 2.912 ( 0.607 3.912 0.287) 3.970 2.959 ( -6.301 0.823 -4.238) 7.639 2.991 ( 0.492 0.430 -0.233) 0.693 3.076 ( -1.576 -5.380 -3.359) 6.535 3.152 ( 3.026 6.308 0.198) 6.999 3.369 ( -0.081 4.237 1.789) 4.600 3.408 ( 1.011 -1.839 -0.161) 2.104 3.443 ( 0.723 1.843 -0.322) 2.005 3.572 ( 3.448 -2.693 5.131) 6.743 3.610 ( 5.234 2.063 -4.828) 7.413 3.677 ( -0.157 2.537 1.526) 2.965 3.685 ( 2.821 0.465 -1.219) 3.108 3.771 ( 0.264 2.121 -1.468) 2.593 3.786 ( -0.301 0.002 -3.390) 3.403 3.829 ( -5.506 -1.312 2.130) 6.048 3.935 ( 2.771 -2.329 -0.866) 3.722 4.122 ( -0.292 -1.170 3.031) 3.262 4.145 ( 1.648 2.488 0.203) 2.991 4.295 ( 4.898 0.251 -0.100) 4.905 4.381 ( -4.849 2.578 -1.156) 5.612 4.548 ( -2.027 -1.270 1.457) 2.800 4.681 ( 0.098 3.628 1.448) 3.908 4.713 ( 2.004 -1.127 0.885) 2.464 4.761 ( -2.632 -1.239 2.783) 4.026 4.797 ( -3.887 -1.177 -0.528) 4.096 4.917 ( 2.524 2.670 1.760) 4.074 4.984 ( -0.881 -0.466 -1.029) 1.432 5.083 ( 0.808 -2.449 -1.604) 3.037 5.148 ( 0.635 -0.219 -0.415) 0.790 5.242 ( -2.874 -2.961 0.739) 4.192 5.361 ( 0.420 1.562 0.155) 1.625 5.427 ( -1.899 9.284 -2.408) 9.777 5.469 ( -0.517 0.532 -0.940) 1.197 5.646 ( 0.049 0.950 -1.187) 1.521 5.758 ( 0.825 -6.166 2.926) 6.875 5.907 ( -0.971 -1.765 -0.485) 2.071 5.990 ( 0.960 -0.132 -1.674) 1.934 6.153 ( -1.317 -5.464 0.455) 5.639 6.363 ( -0.768 7.951 -1.848) 8.199 6.535 ( 1.868 3.840 0.557) 4.307 8.888 ( -0.820 1.218 0.101) 1.471 8.923 ( -0.483 0.371 0.294) 0.676 9.174 ( 0.755 2.925 0.320) 3.038 9.268 ( 0.421 1.232 0.358) 1.350 9.661 ( 0.197 -3.747 0.056) 3.752 9.691 ( 0.942 -4.409 -0.673) 4.558 9.793 ( -0.948 0.025 0.384) 1.023 10.057 ( 0.113 -8.310 0.724) 8.342 10.257 ( 0.700 -4.408 -0.248) 4.470 10.510 ( -1.384 -2.693 -0.745) 3.118 10.847 ( -0.777 1.093 -1.012) 1.680 11.151 ( 0.769 1.088 0.648) 1.482 20.130 ( 0.496 -2.233 -0.771) 2.414 20.328 ( 0.418 3.175 -0.116) 3.204 20.365 ( 0.431 -0.165 0.279) 0.540 20.479 ( -1.322 -2.830 -2.893) 4.257 20.951 ( 1.573 2.558 3.542) 4.644 21.045 ( -1.098 0.953 0.452) 1.523 21.417 ( -4.845 8.320 -3.410) 10.214 21.841 ( -0.680 7.029 4.458) 8.352 22.043 ( -0.052 -0.340 -0.335) 0.480 22.154 ( 1.441 2.249 0.705) 2.762 22.206 ( -2.437 -3.857 -0.774) 4.628 22.285 ( -0.136 -8.888 0.463) 8.901 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.000 1.857 -0.000) 1.857 0.922 ( 0.000 -2.012 0.000) 2.012 0.928 ( 0.000 -3.657 0.000) 3.657 0.997 ( 0.000 -5.667 0.000) 5.667 1.028 ( 0.000 -1.346 0.000) 1.346 1.085 ( 0.000 -4.127 0.000) 4.127 1.186 ( 0.000 -1.123 0.000) 1.123 1.283 ( -0.000 1.389 -0.000) 1.389 1.345 ( 0.000 -2.003 0.000) 2.003 1.378 ( -0.000 1.037 -0.000) 1.037 1.475 ( 0.000 -1.421 0.000) 1.421 1.581 ( 0.000 -3.076 0.000) 3.076 1.621 ( -0.000 2.392 -0.000) 2.392 1.667 ( 0.000 -4.064 0.000) 4.064 1.776 ( -0.000 4.620 -0.000) 4.620 1.912 ( -0.000 4.732 -0.000) 4.732 2.013 ( -0.000 4.332 -0.000) 4.332 2.029 ( -0.000 0.970 -0.000) 0.970 2.205 ( -0.000 2.744 -0.000) 2.744 2.395 ( 0.000 -3.600 0.000) 3.600 2.448 ( 0.000 -0.333 0.000) 0.333 2.477 ( 0.000 -0.329 0.000) 0.329 2.599 ( -0.000 3.692 -0.000) 3.692 2.712 ( 0.000 -4.533 0.000) 4.533 2.749 ( -0.000 2.963 -0.000) 2.963 2.788 ( -0.000 2.345 -0.000) 2.345 2.868 ( -0.000 0.414 -0.000) 0.414 2.933 ( 0.000 -1.777 0.000) 1.777 2.972 ( -0.000 2.232 -0.000) 2.232 3.053 ( -0.000 4.967 -0.000) 4.967 3.165 ( 0.000 -5.626 0.000) 5.626 3.274 ( -0.000 5.475 -0.000) 5.475 3.395 ( -0.000 3.959 -0.000) 3.959 3.427 ( -0.000 2.114 -0.000) 2.114 3.559 ( -0.000 3.690 -0.000) 3.690 3.616 ( 0.000 -0.141 0.000) 0.141 3.638 ( -0.000 0.396 -0.000) 0.396 3.724 ( -0.000 2.760 -0.000) 2.760 3.725 ( 0.000 -1.613 0.000) 1.613 3.779 ( 0.000 -1.046 0.000) 1.046 3.847 ( 0.000 -1.165 0.000) 1.165 3.993 ( 0.000 -3.616 0.000) 3.616 4.110 ( -0.000 1.698 -0.000) 1.698 4.160 ( 0.000 -1.898 0.000) 1.898 4.266 ( -0.000 5.006 -0.000) 5.006 4.336 ( 0.000 -0.022 0.000) 0.022 4.564 ( 0.000 -1.607 0.000) 1.607 4.596 ( -0.000 5.345 -0.000) 5.345 4.722 ( -0.000 3.318 -0.000) 3.318 4.746 ( -0.000 0.239 -0.000) 0.239 4.864 ( 0.000 -5.734 0.000) 5.734 4.908 ( 0.000 -1.205 0.000) 1.205 4.973 ( -0.000 0.431 -0.000) 0.431 5.105 ( 0.000 -0.487 0.000) 0.487 5.177 ( 0.000 -1.321 0.000) 1.321 5.217 ( -0.000 10.091 -0.000) 10.091 5.299 ( 0.000 -2.133 0.000) 2.133 5.345 ( -0.000 1.609 -0.000) 1.609 5.463 ( 0.000 -0.105 0.000) 0.105 5.664 ( 0.000 -3.882 0.000) 3.882 5.811 ( -0.000 0.253 -0.000) 0.253 5.948 ( 0.000 -1.359 0.000) 1.359 6.007 ( 0.000 -1.707 0.000) 1.707 6.199 ( -0.000 8.082 -0.000) 8.082 6.249 ( 0.000 -5.620 0.000) 5.620 6.468 ( -0.000 4.107 -0.000) 4.107 8.868 ( -0.000 0.390 -0.000) 0.390 8.918 ( -0.000 0.108 -0.000) 0.108 9.115 ( -0.000 3.940 -0.000) 3.940 9.248 ( -0.000 1.453 -0.000) 1.453 9.727 ( 0.000 -3.506 0.000) 3.506 9.773 ( 0.000 -4.002 0.000) 4.002 9.827 ( 0.000 -4.071 0.000) 4.071 10.130 ( 0.000 -0.434 0.000) 0.434 10.417 ( 0.000 -12.420 0.000) 12.420 10.572 ( 0.000 -5.365 0.000) 5.365 10.811 ( -0.000 2.327 -0.000) 2.327 11.129 ( -0.000 2.041 -0.000) 2.041 20.185 ( 0.000 -3.916 0.000) 3.916 20.265 ( -0.000 3.253 -0.000) 3.253 20.373 ( -0.000 0.177 -0.000) 0.177 20.520 ( 0.000 -2.941 0.000) 2.941 20.912 ( -0.000 3.986 -0.000) 3.986 21.039 ( 0.000 -1.027 0.000) 1.027 21.249 ( -0.000 6.754 -0.000) 6.754 21.679 ( -0.000 12.617 -0.000) 12.617 22.043 ( -0.000 0.364 -0.000) 0.364 22.111 ( -0.000 2.468 -0.000) 2.468 22.283 ( 0.000 -5.530 0.000) 5.530 22.452 ( 0.000 -9.528 0.000) 9.528 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 0.000 0.000) 0.000 0.869 ( 0.000 0.000 0.000) 0.000 0.869 ( 0.000 0.000 0.000) 0.000 0.946 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 0.000 -0.000) 0.000 1.153 ( 0.000 0.000 0.000) 0.000 1.263 ( 0.000 0.000 0.000) 0.000 1.362 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 -0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.249 ( -0.000 -0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 2.967 ( -0.000 -0.000 -0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 -0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.695 ( -0.000 -0.000 -0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.784 ( -0.000 -0.000 0.000) 0.000 3.786 ( 0.000 0.000 -0.000) 0.000 3.792 ( 0.000 0.000 -0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.121 ( -0.000 -0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.329 ( -0.000 -0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.766 ( -0.000 -0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 -0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.659 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.231 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 20.111 ( 0.000 0.000 0.000) 0.000 20.362 ( 0.000 0.000 0.000) 0.000 20.382 ( 0.000 0.000 0.000) 0.000 20.421 ( 0.000 0.000 0.000) 0.000 20.988 ( 0.000 0.000 0.000) 0.000 21.053 ( 0.000 0.000 0.000) 0.000 21.472 ( 0.000 0.000 0.000) 0.000 21.906 ( 0.000 0.000 0.000) 0.000 22.037 ( 0.000 0.000 0.000) 0.000 22.152 ( 0.000 0.000 0.000) 0.000 22.192 ( 0.000 0.000 0.000) 0.000 22.199 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.227 ( 7.711 0.000 11.157) 13.562 0.273 ( 0.062 0.000 13.479) 13.480 0.510 ( 0.819 0.000 25.167) 25.180 0.623 ( -1.610 -0.000 -0.197) 1.622 0.971 ( 0.285 0.000 -4.822) 4.830 1.098 ( 2.892 0.000 -2.826) 4.043 1.146 ( -1.510 -0.000 -3.017) 3.374 1.206 ( -5.389 -0.000 2.211) 5.825 1.434 ( 0.485 0.000 -0.013) 0.485 1.453 ( -1.899 -0.000 -2.028) 2.779 1.482 ( 1.467 0.000 -0.814) 1.677 1.539 ( 0.120 0.000 0.349) 0.369 1.579 ( -4.458 -0.000 -3.337) 5.568 1.677 ( 3.658 0.000 -0.213) 3.664 1.705 ( 1.335 0.000 3.326) 3.584 1.851 ( -1.038 -0.000 -0.235) 1.064 2.036 ( -3.771 -0.000 2.414) 4.478 2.122 ( 3.712 0.000 -2.603) 4.534 2.225 ( -1.662 -0.000 1.558) 2.278 2.234 ( 3.786 0.000 0.654) 3.842 2.553 ( -1.941 -0.000 0.787) 2.095 2.559 ( 7.056 0.000 -0.679) 7.089 2.563 ( -1.374 -0.000 -5.058) 5.241 2.717 ( 5.884 0.000 3.783) 6.995 2.751 ( -0.650 -0.000 1.763) 1.879 2.755 ( 4.933 0.000 -4.097) 6.413 2.872 ( 6.635 0.000 -1.277) 6.757 2.898 ( -1.583 -0.000 -0.033) 1.584 3.012 ( -0.563 -0.000 2.094) 2.168 3.019 ( 1.649 0.000 2.520) 3.011 3.079 ( 2.603 0.000 3.166) 4.099 3.189 ( -5.104 -0.000 -0.720) 5.154 3.218 ( 1.852 0.000 -1.143) 2.177 3.423 ( 5.754 0.000 -5.343) 7.852 3.445 ( -1.869 -0.000 -1.694) 2.523 3.527 ( -2.961 -0.000 -5.146) 5.937 3.640 ( 3.549 0.000 -1.100) 3.716 3.664 ( -2.640 -0.000 -2.426) 3.585 3.734 ( 0.291 0.000 -3.720) 3.731 3.736 ( -2.586 -0.000 -2.240) 3.421 3.883 ( 5.604 0.000 3.458) 6.585 3.971 ( -9.453 -0.000 2.695) 9.829 4.132 ( 1.331 0.000 2.738) 3.044 4.202 ( 0.030 0.000 0.774) 0.774 4.247 ( -3.459 -0.000 -1.011) 3.604 4.326 ( -6.268 -0.000 0.133) 6.269 4.416 ( 0.697 0.000 -5.292) 5.338 4.592 ( 0.791 0.000 -1.075) 1.335 4.620 ( 3.626 0.000 9.628) 10.288 4.725 ( 2.274 0.000 5.042) 5.531 4.983 ( 7.085 0.000 -2.314) 7.454 5.001 ( 3.025 0.000 -7.254) 7.860 5.214 ( -0.929 -0.000 5.380) 5.460 5.252 ( -1.257 -0.000 0.373) 1.311 5.281 ( -3.845 -0.000 -3.730) 5.357 5.299 ( -0.184 -0.000 2.686) 2.693 5.366 ( 0.474 0.000 1.884) 1.943 5.526 ( 4.260 0.000 -2.995) 5.207 5.586 ( -2.711 -0.000 1.757) 3.231 5.639 ( -1.975 -0.000 -0.516) 2.041 5.704 ( 1.787 0.000 -2.281) 2.898 5.838 ( 1.811 0.000 -4.438) 4.793 5.869 ( 7.250 0.000 5.270) 8.962 5.996 ( -2.539 -0.000 2.329) 3.445 6.369 ( 0.821 0.000 1.899) 2.069 6.578 ( -1.719 -0.000 -2.986) 3.446 9.058 ( 0.137 0.000 -0.524) 0.542 9.068 ( -4.207 -0.000 -1.513) 4.471 9.154 ( 4.984 0.000 2.638) 5.639 9.253 ( -7.568 -0.000 -0.481) 7.583 9.562 ( -0.385 -0.000 0.772) 0.863 9.671 ( -6.264 -0.000 -2.682) 6.813 9.825 ( -1.271 -0.000 2.350) 2.672 9.905 ( 1.143 0.000 -0.360) 1.198 10.251 ( -1.799 -0.000 1.981) 2.676 10.446 ( 18.145 0.000 -2.694) 18.344 10.950 ( -1.830 -0.000 1.101) 2.135 10.997 ( 2.802 0.000 0.052) 2.803 20.057 ( -8.387 -0.000 2.963) 8.895 20.331 ( 0.081 0.000 -2.746) 2.747 20.380 ( -0.203 -0.000 0.819) 0.844 20.564 ( 0.793 0.000 -7.280) 7.323 20.889 ( -0.041 -0.000 7.192) 7.193 21.106 ( 0.146 0.000 -0.924) 0.935 22.014 ( -2.459 -0.000 0.147) 2.463 22.083 ( 17.919 0.000 -1.815) 18.011 22.156 ( 0.025 0.000 0.670) 0.670 22.159 ( 8.250 0.000 0.075) 8.250 22.188 ( 10.166 0.000 1.017) 10.217 22.189 ( -2.213 -0.000 0.125) 2.217 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 7.798 -6.582 8.206) 13.095 0.479 ( 7.125 -10.697 8.779) 15.565 0.604 ( 5.405 -1.761 0.879) 5.752 0.828 ( 2.939 -13.978 13.570) 19.702 0.971 ( 0.448 -2.044 -3.866) 4.396 1.097 ( -1.546 -0.958 -4.545) 4.895 1.113 ( -0.584 0.952 -2.932) 3.137 1.199 ( -1.213 -1.546 2.113) 2.886 1.421 ( -1.212 1.016 -1.245) 2.013 1.439 ( 0.466 0.702 0.385) 0.926 1.464 ( -1.180 0.787 -0.244) 1.439 1.532 ( -2.612 -0.581 -2.988) 4.011 1.559 ( 2.195 -0.048 -1.385) 2.596 1.648 ( 2.935 3.587 1.302) 4.814 1.767 ( 2.276 -1.030 2.327) 3.414 1.816 ( -0.435 2.345 0.214) 2.394 2.033 ( -0.818 -1.128 1.822) 2.293 2.121 ( 2.585 4.970 0.942) 5.680 2.199 ( 1.033 -2.569 -0.534) 2.820 2.263 ( -4.117 0.446 -1.331) 4.349 2.410 ( -1.125 6.353 1.482) 6.620 2.521 ( 0.390 -0.316 -4.546) 4.574 2.637 ( -2.356 -2.118 1.611) 3.554 2.670 ( 6.084 5.441 2.652) 8.582 2.712 ( 0.612 3.913 -2.094) 4.480 2.819 ( 1.345 2.674 2.176) 3.700 2.903 ( 2.817 -4.800 -3.887) 6.789 2.934 ( 0.270 1.665 2.373) 2.911 3.003 ( 0.199 -2.436 0.287) 2.460 3.018 ( -1.962 -0.576 -0.631) 2.140 3.142 ( 2.963 -1.901 4.769) 5.927 3.198 ( 1.017 -1.046 1.123) 1.841 3.311 ( 4.967 -1.654 -7.563) 9.198 3.411 ( -0.313 -1.787 -5.274) 5.577 3.470 ( 2.106 0.883 0.000) 2.284 3.505 ( -2.713 -2.444 -2.890) 4.657 3.611 ( -3.571 0.767 -2.648) 4.512 3.661 ( -0.143 -1.381 -2.122) 2.536 3.735 ( -2.794 -0.843 -4.402) 5.282 3.767 ( 2.835 -2.259 -6.582) 7.514 3.882 ( 6.238 2.442 2.440) 7.130 3.982 ( -1.722 -0.556 2.965) 3.474 4.095 ( -3.259 2.059 -0.601) 3.902 4.175 ( -1.966 2.443 -0.896) 3.262 4.235 ( -3.620 -3.981 1.993) 5.738 4.332 ( 3.591 0.345 2.644) 4.473 4.461 ( 0.233 -4.213 -3.641) 5.574 4.607 ( 1.959 -0.921 0.140) 2.169 4.667 ( 1.710 1.325 6.635) 6.978 4.766 ( 0.675 -0.409 4.070) 4.146 4.948 ( 4.464 5.495 -5.578) 9.014 4.996 ( 2.583 0.185 -5.713) 6.272 5.130 ( -5.530 4.749 5.406) 9.075 5.197 ( -5.457 7.187 4.156) 9.935 5.237 ( -2.959 0.513 0.723) 3.089 5.268 ( 2.675 2.422 -1.268) 3.825 5.392 ( -1.815 6.726 5.565) 8.917 5.465 ( 0.750 -3.296 -0.911) 3.501 5.528 ( 2.661 2.539 -3.196) 4.873 5.651 ( -0.684 -3.225 -0.102) 3.298 5.699 ( 0.310 -3.342 2.817) 4.381 5.886 ( 0.811 -0.513 -0.815) 1.259 5.972 ( 0.500 0.521 1.400) 1.575 6.100 ( 5.349 -7.013 -5.104) 10.190 6.377 ( 0.849 -0.434 0.545) 1.098 6.501 ( -2.038 4.872 -3.812) 6.513 9.006 ( -3.503 1.876 -0.030) 3.974 9.060 ( -0.264 0.115 -0.655) 0.716 9.112 ( -3.261 5.325 2.866) 6.870 9.188 ( 2.930 2.223 0.392) 3.699 9.584 ( 0.503 -2.085 1.953) 2.901 9.709 ( -2.869 -6.667 -2.634) 7.721 9.859 ( -0.839 -4.693 3.417) 5.865 10.073 ( -2.325 -9.903 -3.326) 10.702 10.257 ( -1.870 -2.249 1.169) 3.150 10.578 ( 6.667 -5.634 -10.174) 13.405 10.935 ( -2.052 0.376 0.510) 2.148 11.017 ( 3.372 0.824 0.608) 3.524 20.067 ( -0.757 -2.811 3.948) 4.905 20.333 ( -0.273 -0.851 -2.968) 3.099 20.372 ( -0.839 0.506 0.898) 1.329 20.541 ( 0.741 -0.409 -6.954) 7.005 20.880 ( -0.090 3.464 7.416) 8.186 21.070 ( -0.205 3.212 -0.546) 3.264 21.697 ( 9.525 26.138 18.583) 33.455 21.936 ( -5.388 8.556 -3.403) 10.668 22.061 ( -0.414 3.408 0.380) 3.454 22.095 ( 0.197 0.692 -1.177) 1.379 22.297 ( -0.163 -6.311 1.936) 6.603 22.516 ( -3.895 -9.474 -8.452) 13.280 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 6.328 -8.334 4.590) 11.427 0.703 ( 6.199 -3.959 -1.643) 7.536 0.737 ( 6.267 -7.985 6.340) 11.968 0.986 ( -0.024 -1.933 -3.580) 4.069 1.063 ( -2.582 -5.647 -1.268) 6.338 1.078 ( 0.131 1.249 -3.191) 3.430 1.132 ( 2.103 -5.406 1.446) 5.978 1.259 ( 1.216 -4.334 2.069) 4.954 1.404 ( -1.178 -0.752 0.384) 1.449 1.425 ( -3.804 -1.963 1.454) 4.521 1.463 ( 2.416 0.535 1.214) 2.756 1.538 ( -1.397 -3.438 -2.860) 4.686 1.561 ( -1.167 -1.315 -1.252) 2.158 1.648 ( 5.634 1.644 1.824) 6.146 1.767 ( 0.835 1.753 2.243) 2.967 1.808 ( 1.166 1.230 0.931) 1.934 2.012 ( -1.818 4.240 0.674) 4.663 2.064 ( 3.241 4.834 2.346) 6.275 2.182 ( -3.444 0.462 -2.237) 4.133 2.273 ( 1.513 -3.079 -0.361) 3.450 2.361 ( -0.245 0.545 2.814) 2.877 2.539 ( 1.602 -1.261 -3.464) 4.019 2.599 ( -1.543 3.250 4.075) 5.435 2.652 ( 2.494 2.446 -1.017) 3.639 2.691 ( 2.475 1.956 -3.121) 4.438 2.711 ( 1.151 5.749 0.316) 5.871 2.918 ( 0.890 1.006 0.715) 1.521 2.943 ( 0.831 0.580 -0.880) 1.342 3.033 ( -2.709 -4.441 -3.601) 6.327 3.078 ( -4.398 -3.503 1.012) 5.713 3.199 ( -0.142 -1.343 1.392) 1.939 3.278 ( 0.061 1.447 -4.220) 4.462 3.286 ( 8.283 -1.116 5.231) 9.860 3.407 ( 3.290 -2.461 -2.193) 4.657 3.479 ( -0.468 2.972 2.322) 3.801 3.526 ( -0.529 0.092 0.252) 0.593 3.566 ( -3.675 -2.017 -2.821) 5.053 3.683 ( 0.557 1.615 -2.879) 3.347 3.691 ( -0.056 -1.163 -1.064) 1.577 3.761 ( -0.741 -0.134 -1.589) 1.759 3.892 ( 5.807 2.907 -1.874) 6.759 3.963 ( -2.275 0.392 -0.465) 2.355 4.081 ( -3.671 -3.345 -1.909) 5.320 4.153 ( 1.883 -0.614 0.114) 1.983 4.285 ( -4.962 -3.484 2.176) 6.442 4.375 ( 5.035 -0.054 0.989) 5.132 4.471 ( 2.229 2.024 -0.040) 3.012 4.630 ( -0.105 1.362 1.784) 2.247 4.685 ( 2.267 0.782 2.189) 3.247 4.762 ( -3.059 0.464 1.712) 3.536 4.867 ( 5.880 5.429 -5.771) 9.867 4.990 ( 2.612 1.611 -1.757) 3.536 5.046 ( -3.681 1.994 4.233) 5.953 5.081 ( -3.277 2.946 0.817) 4.481 5.191 ( -1.988 2.629 0.590) 3.348 5.248 ( 0.316 1.232 -0.851) 1.530 5.301 ( -3.284 3.527 1.348) 5.004 5.456 ( 1.938 4.384 -3.009) 5.660 5.512 ( -3.028 -2.657 -0.984) 4.147 5.686 ( 0.960 -0.197 -1.211) 1.558 5.818 ( 0.549 -3.673 6.043) 7.093 5.895 ( -0.954 -2.938 -0.190) 3.095 5.951 ( -1.030 -0.499 0.402) 1.213 6.196 ( 5.246 0.489 0.567) 5.299 6.359 ( -1.181 5.455 -1.527) 5.786 6.416 ( -0.296 -2.884 -5.899) 6.573 8.956 ( -2.547 1.099 0.415) 2.805 9.014 ( -4.147 2.481 0.910) 4.917 9.054 ( 2.118 2.736 0.661) 3.523 9.168 ( 2.257 2.002 -1.303) 3.287 9.656 ( 0.926 -3.837 3.002) 4.959 9.789 ( -1.123 -5.964 -2.933) 6.741 9.942 ( -3.227 -3.215 4.541) 6.432 10.134 ( -0.752 -0.341 0.102) 0.832 10.347 ( -0.265 -9.142 0.545) 9.162 10.668 ( 1.697 -6.480 -8.922) 11.156 10.905 ( -2.443 1.379 0.009) 2.805 11.027 ( 3.090 1.481 0.522) 3.466 20.150 ( 0.355 -4.606 3.686) 5.910 20.296 ( -1.111 2.716 -1.119) 3.141 20.379 ( -0.796 -1.287 -0.649) 1.647 20.534 ( 0.953 -1.487 -6.094) 6.345 20.866 ( -0.188 1.356 6.247) 6.395 21.019 ( 0.699 2.317 0.516) 2.475 21.495 ( 5.105 15.314 12.413) 20.363 21.654 ( -6.084 13.692 -5.892) 16.100 22.038 ( 0.161 0.739 0.521) 0.918 22.079 ( 0.447 0.874 -0.882) 1.319 22.398 ( -0.775 -4.101 2.999) 5.139 22.563 ( -4.825 -5.860 -5.386) 9.307 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 1.744 -1.874 -0.557) 2.619 0.831 ( 4.606 -4.525 1.491) 6.627 0.890 ( 2.647 -2.378 4.948) 6.094 0.994 ( -0.228 -1.734 -3.357) 3.786 1.048 ( 0.319 0.374 -3.215) 3.252 1.118 ( -0.161 -3.746 -2.395) 4.449 1.245 ( 2.497 -5.617 0.285) 6.153 1.314 ( 2.166 0.032 0.758) 2.295 1.417 ( -2.155 -1.606 -0.963) 2.855 1.443 ( -2.900 -2.024 -0.222) 3.543 1.504 ( -1.098 -2.622 1.818) 3.375 1.570 ( -1.416 -1.773 -1.003) 2.481 1.616 ( 1.989 -4.580 0.234) 4.999 1.687 ( 3.819 -0.763 0.510) 3.928 1.752 ( 1.097 2.195 0.477) 2.500 1.771 ( -0.778 2.644 -1.289) 3.043 1.909 ( -2.898 4.412 0.539) 5.306 2.015 ( 2.119 4.764 3.404) 6.227 2.183 ( 0.347 -0.827 1.340) 1.612 2.325 ( 0.669 -1.963 -0.090) 2.076 2.386 ( 0.639 -0.217 4.085) 4.141 2.491 ( 1.121 2.942 -0.031) 3.149 2.575 ( -1.785 3.466 -1.330) 4.119 2.622 ( 1.733 -1.840 0.869) 2.672 2.659 ( 1.273 1.784 -1.767) 2.815 2.725 ( 3.145 -0.981 2.175) 3.948 2.898 ( -1.138 0.603 -2.823) 3.103 2.944 ( -0.100 -0.734 2.524) 2.631 3.050 ( -4.888 -0.211 -0.224) 4.898 3.080 ( -1.595 -3.317 -0.578) 3.726 3.204 ( -1.208 -0.527 -1.525) 2.016 3.251 ( 1.678 1.849 -0.123) 2.500 3.366 ( 3.562 -0.508 2.116) 4.174 3.419 ( -1.576 3.377 1.713) 4.101 3.466 ( -4.128 0.809 0.784) 4.279 3.531 ( 5.251 -4.136 -0.526) 6.705 3.597 ( 0.751 -2.291 1.295) 2.737 3.631 ( 1.279 2.520 -4.155) 5.025 3.691 ( -1.737 1.034 1.461) 2.494 3.764 ( -0.484 -0.585 -1.419) 1.610 3.892 ( 4.089 1.437 0.644) 4.382 3.973 ( 0.486 -3.469 -0.322) 3.517 4.110 ( -1.925 -4.110 -2.004) 4.961 4.189 ( 1.661 0.440 -1.246) 2.122 4.258 ( -6.364 0.910 0.539) 6.451 4.398 ( 1.239 -0.666 -1.577) 2.113 4.473 ( 5.815 3.192 -0.192) 6.636 4.596 ( -0.802 2.366 1.230) 2.784 4.665 ( 4.302 3.070 0.635) 5.323 4.757 ( -3.641 -0.428 3.098) 4.800 4.807 ( 4.300 3.637 -2.872) 6.322 4.953 ( -0.784 2.381 -1.930) 3.163 5.011 ( -1.213 0.253 -7.558) 7.659 5.063 ( -0.770 -0.721 2.919) 3.103 5.149 ( -1.983 0.235 4.734) 5.138 5.200 ( -2.803 1.796 -0.227) 3.337 5.259 ( 1.203 0.858 -1.965) 2.459 5.403 ( 3.615 2.675 -2.703) 5.247 5.503 ( -3.454 -0.301 -0.058) 3.468 5.666 ( 0.499 2.538 0.306) 2.605 5.849 ( -1.223 -0.813 3.779) 4.054 5.943 ( -3.448 -3.535 2.195) 5.404 6.047 ( 2.553 -5.943 2.271) 6.855 6.154 ( -0.863 4.445 -1.741) 4.851 6.269 ( 1.129 4.988 1.124) 5.237 6.457 ( 0.899 -3.861 -6.705) 7.789 8.925 ( -1.760 0.650 0.006) 1.876 8.962 ( -2.208 0.960 1.655) 2.922 9.026 ( 1.156 2.126 0.373) 2.448 9.153 ( 2.150 0.998 -1.767) 2.956 9.740 ( 0.371 -3.537 2.899) 4.588 9.867 ( -0.087 -4.478 -1.326) 4.671 9.946 ( -3.026 0.682 2.914) 4.256 10.106 ( -0.122 2.791 0.383) 2.819 10.531 ( 1.053 -10.185 1.210) 10.310 10.749 ( -0.054 -5.670 -6.105) 8.332 10.845 ( -2.651 2.909 0.218) 3.942 11.020 ( 2.770 2.312 0.077) 3.608 20.241 ( -0.970 1.639 -0.187) 1.914 20.250 ( 0.312 -4.454 2.996) 5.377 20.375 ( -0.880 0.678 -0.472) 1.207 20.553 ( 0.946 -2.327 -4.092) 4.801 20.874 ( -1.129 0.657 3.670) 3.896 21.015 ( 1.213 -0.446 -0.244) 1.315 21.332 ( -1.488 7.695 0.503) 7.854 21.386 ( 0.205 12.514 0.469) 12.525 22.033 ( 0.057 0.132 0.099) 0.174 22.066 ( 0.511 0.753 -0.656) 1.122 22.442 ( -2.490 -1.576 1.996) 3.559 22.607 ( -0.919 -3.788 -2.298) 4.525 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -1.934 2.684 -0.814) 3.407 0.901 ( 0.393 -0.846 2.229) 2.417 0.926 ( 1.141 0.793 1.442) 2.002 0.988 ( -1.090 1.687 -3.507) 4.042 1.058 ( 1.238 -1.857 -1.634) 2.767 1.155 ( -0.161 -1.539 -1.453) 2.123 1.309 ( -0.465 0.260 0.277) 0.600 1.360 ( 3.449 -0.999 2.007) 4.114 1.399 ( -0.944 0.969 -2.399) 2.754 1.450 ( -0.355 -0.403 -1.319) 1.424 1.512 ( -1.477 -0.594 -1.436) 2.144 1.555 ( 0.616 3.408 1.469) 3.762 1.678 ( -0.502 -0.013 0.192) 0.537 1.704 ( -2.541 -0.766 -0.985) 2.831 1.728 ( 1.032 -0.529 -1.688) 2.048 1.789 ( 0.811 -5.798 -0.652) 5.890 1.861 ( -1.266 -0.786 1.141) 1.877 1.945 ( 0.618 7.530 3.919) 8.511 2.197 ( -0.162 -0.227 3.299) 3.311 2.321 ( -1.854 1.907 -0.381) 2.687 2.393 ( -0.695 0.237 -0.177) 0.755 2.505 ( -0.488 -1.836 1.656) 2.521 2.528 ( -0.578 -0.798 -1.618) 1.894 2.635 ( 3.273 2.282 1.362) 4.217 2.689 ( -0.198 -3.796 2.850) 4.751 2.756 ( 1.494 0.298 2.625) 3.035 2.899 ( -1.087 -1.482 -0.398) 1.880 2.961 ( -3.077 -0.367 -0.228) 3.108 3.020 ( -1.092 -0.172 2.571) 2.798 3.124 ( 0.669 -1.816 0.203) 1.945 3.211 ( -2.814 -3.512 -1.580) 4.770 3.226 ( 0.540 2.321 0.243) 2.396 3.356 ( -1.100 2.957 2.596) 4.086 3.395 ( -0.935 -1.392 1.758) 2.429 3.436 ( -3.705 0.309 -1.715) 4.094 3.551 ( 0.040 3.101 -2.858) 4.218 3.595 ( 4.454 -0.126 -5.857) 7.360 3.666 ( -0.556 0.716 2.656) 2.806 3.703 ( 0.788 -4.873 4.603) 6.749 3.765 ( 1.137 -0.189 0.684) 1.340 3.911 ( 1.941 -0.155 2.726) 3.350 4.066 ( 1.244 -4.479 -0.647) 4.694 4.100 ( -2.077 4.983 -1.338) 5.561 4.154 ( -1.558 -3.326 -4.293) 5.649 4.217 ( -0.654 2.008 0.590) 2.193 4.403 ( 0.299 -0.559 -4.835) 4.876 4.478 ( 4.422 0.485 1.266) 4.625 4.530 ( -2.935 1.934 -3.052) 4.655 4.679 ( 3.838 2.168 0.822) 4.484 4.740 ( 1.474 2.433 6.157) 6.782 4.783 ( -0.021 1.266 -2.028) 2.391 4.903 ( -1.747 0.136 -4.848) 5.155 4.973 ( 2.315 0.741 -3.962) 4.648 5.081 ( 0.121 -2.106 -0.472) 2.162 5.140 ( -4.589 -1.655 0.805) 4.944 5.226 ( 1.420 -1.814 3.521) 4.208 5.247 ( 1.120 0.410 -1.111) 1.630 5.378 ( 3.227 0.911 -7.072) 7.827 5.513 ( -1.010 -1.901 5.385) 5.800 5.633 ( 0.338 1.327 0.457) 1.444 5.877 ( -1.588 -1.642 3.497) 4.177 5.962 ( -1.642 1.212 3.953) 4.449 6.051 ( -1.893 4.067 -3.893) 5.940 6.165 ( 2.517 -2.446 2.494) 4.305 6.220 ( -1.458 -0.433 0.938) 1.787 6.485 ( 1.835 -1.415 -6.390) 6.797 8.913 ( -0.454 -0.390 0.113) 0.609 8.949 ( -0.408 0.443 1.439) 1.560 9.013 ( -0.229 -0.100 0.588) 0.639 9.153 ( 2.159 0.273 -1.766) 2.802 9.783 ( -2.303 0.400 2.515) 3.434 9.888 ( -0.546 0.076 2.651) 2.708 9.971 ( 1.640 -3.105 -0.324) 3.526 10.050 ( 0.384 3.475 -0.432) 3.523 10.641 ( -1.523 2.215 0.659) 2.768 10.763 ( -1.951 -3.421 -3.413) 5.211 10.840 ( 0.668 -2.691 0.583) 2.833 11.001 ( 2.773 2.089 -0.869) 3.579 20.224 ( -0.190 -0.203 0.430) 0.513 20.331 ( 0.764 -3.135 0.774) 3.318 20.345 ( -2.241 1.253 1.932) 3.213 20.585 ( 1.016 -2.066 -2.478) 3.383 20.824 ( -3.202 3.667 -1.152) 5.003 21.013 ( 1.138 1.834 -0.866) 2.326 21.208 ( -0.634 8.779 -0.265) 8.806 21.328 ( 2.313 -6.914 1.438) 7.432 22.036 ( -0.056 -0.251 -0.016) 0.258 22.059 ( 0.179 -0.098 -0.637) 0.669 22.437 ( -2.102 0.692 1.200) 2.517 22.647 ( 2.221 -0.957 -0.708) 2.520 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -3.402 5.992 0.268) 6.896 0.816 ( -7.265 7.621 -0.325) 10.534 0.893 ( -1.371 4.273 -0.590) 4.526 0.971 ( 0.896 -1.573 0.619) 1.913 1.087 ( 1.109 -1.278 -2.193) 2.770 1.152 ( 0.240 0.943 -1.478) 1.770 1.292 ( -1.672 0.939 0.698) 2.041 1.320 ( -1.141 5.881 0.939) 6.064 1.371 ( -0.285 -0.180 -1.527) 1.564 1.455 ( -0.149 2.374 -1.599) 2.867 1.483 ( 2.768 0.386 -1.448) 3.148 1.545 ( 2.716 2.192 1.714) 3.888 1.646 ( -0.109 3.708 2.069) 4.247 1.672 ( -3.292 1.906 -0.861) 3.900 1.720 ( -1.870 1.386 -0.070) 2.329 1.812 ( -0.004 2.278 -0.080) 2.279 1.888 ( -1.299 -6.129 -1.770) 6.510 1.957 ( -1.542 -5.862 4.790) 7.726 2.226 ( -1.350 -0.221 4.921) 5.108 2.283 ( -3.588 -2.214 -0.587) 4.257 2.376 ( -1.302 0.221 -0.856) 1.574 2.535 ( 1.058 -0.467 1.886) 2.213 2.551 ( 2.765 -1.033 -0.965) 3.106 2.647 ( 2.687 -0.370 -0.177) 2.718 2.736 ( -5.879 -2.179 2.054) 6.598 2.789 ( 1.512 -0.514 2.408) 2.889 2.874 ( -1.380 1.198 -2.126) 2.804 2.941 ( -4.463 -2.699 -0.359) 5.228 3.041 ( 1.067 0.269 0.992) 1.482 3.128 ( -0.337 2.766 0.718) 2.878 3.180 ( -0.536 2.755 -0.191) 2.813 3.240 ( -2.889 -2.345 -1.412) 3.980 3.346 ( -2.211 -1.990 2.049) 3.612 3.396 ( -2.533 -1.274 -0.751) 2.933 3.431 ( 0.044 -0.903 1.376) 1.647 3.484 ( 1.550 2.462 -2.200) 3.647 3.609 ( 3.082 0.370 -3.406) 4.608 3.657 ( -0.665 -0.522 -0.273) 0.888 3.762 ( -2.293 -2.889 -0.469) 3.718 3.839 ( 2.955 -2.796 4.760) 6.261 3.944 ( -4.734 0.036 3.170) 5.698 3.979 ( 0.922 3.794 1.695) 4.256 4.118 ( -0.812 -1.127 -4.860) 5.055 4.195 ( 1.515 -0.706 0.860) 1.880 4.226 ( 5.235 -4.312 -0.178) 6.785 4.354 ( -2.741 2.920 -3.005) 5.007 4.491 ( 0.158 -1.237 -3.368) 3.591 4.528 ( 2.851 -0.236 1.261) 3.126 4.654 ( 0.881 1.659 -2.029) 2.765 4.725 ( 0.870 2.141 -0.921) 2.488 4.749 ( -2.200 0.958 1.748) 2.969 4.888 ( 0.890 0.004 -0.543) 1.042 4.979 ( 2.256 -0.469 -2.208) 3.191 5.147 ( 2.054 -4.673 -0.577) 5.137 5.177 ( -2.769 -4.145 1.341) 5.162 5.233 ( 0.121 -0.945 -1.012) 1.390 5.279 ( 0.636 -0.816 2.085) 2.327 5.373 ( 4.697 -0.095 -8.083) 9.349 5.558 ( 1.311 0.543 5.472) 5.653 5.656 ( -2.242 -4.247 0.835) 4.875 5.895 ( -3.520 1.554 2.885) 4.809 5.912 ( 1.662 4.807 0.566) 5.117 5.957 ( -0.552 1.799 1.666) 2.513 6.165 ( -4.000 0.895 -1.306) 4.301 6.299 ( 2.333 -5.387 0.985) 5.953 6.484 ( 2.581 0.252 -5.791) 6.345 8.929 ( 0.907 -0.988 0.280) 1.370 8.960 ( 1.265 -0.891 1.373) 2.068 9.027 ( -1.689 -1.819 0.650) 2.566 9.161 ( 1.659 -0.352 -1.947) 2.582 9.718 ( -3.542 4.072 1.690) 5.655 9.919 ( 0.871 -0.319 4.065) 4.170 9.965 ( 1.306 4.939 0.391) 5.124 10.062 ( 2.393 -3.445 -0.960) 4.303 10.498 ( -2.808 9.082 -0.260) 9.509 10.782 ( -0.172 0.525 -4.062) 4.099 10.903 ( 0.139 -2.991 2.247) 3.743 10.993 ( 2.763 0.710 -2.097) 3.540 20.221 ( -1.810 0.729 0.743) 2.088 20.335 ( -1.754 -1.282 3.244) 3.904 20.378 ( 0.436 -1.333 0.364) 1.449 20.618 ( 1.828 -2.082 -3.295) 4.305 20.741 ( -2.192 1.476 -0.548) 2.699 20.954 ( 2.549 7.736 1.603) 8.302 21.097 ( -4.191 -0.172 -4.187) 5.927 21.549 ( 4.551 -12.988 2.216) 13.940 22.035 ( -0.623 -0.061 0.206) 0.659 22.070 ( -0.079 -1.393 -0.652) 1.540 22.398 ( -0.652 2.920 0.645) 3.061 22.666 ( 4.805 1.894 -0.612) 5.201 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -3.942 9.702 4.213) 11.288 0.586 ( -11.652 9.425 -0.172) 14.988 0.767 ( -4.085 6.515 -3.589) 8.486 1.000 ( -0.039 -0.322 0.037) 0.327 1.044 ( -1.468 12.583 2.236) 12.864 1.124 ( 2.041 3.404 -0.720) 4.034 1.164 ( -2.409 2.630 -0.467) 3.597 1.268 ( -2.621 0.434 0.790) 2.771 1.387 ( 2.377 -0.446 0.236) 2.430 1.416 ( 1.832 1.367 0.173) 2.292 1.479 ( 0.826 -0.474 0.643) 1.149 1.524 ( -0.913 1.900 -1.127) 2.390 1.609 ( -0.476 -2.035 -1.035) 2.332 1.662 ( -0.412 -0.628 1.589) 1.757 1.709 ( -0.603 -0.039 0.714) 0.936 1.790 ( -2.657 -0.310 2.199) 3.463 1.977 ( -1.792 -5.077 -0.163) 5.386 2.034 ( -3.265 -3.489 1.385) 4.975 2.213 ( -2.791 -0.107 1.771) 3.307 2.323 ( 1.436 -0.820 0.998) 1.932 2.358 ( -2.742 -0.136 1.589) 3.172 2.556 ( 2.146 -0.341 -0.426) 2.214 2.595 ( 4.948 -0.614 -0.418) 5.004 2.659 ( -2.538 0.430 -2.540) 3.617 2.708 ( -3.334 -1.815 -3.244) 4.993 2.788 ( -1.079 1.214 1.904) 2.503 2.863 ( -1.638 -1.163 0.699) 2.127 2.992 ( -2.279 -5.292 1.466) 5.946 3.032 ( 3.877 1.650 -2.897) 5.113 3.058 ( -3.640 2.773 -1.222) 4.737 3.119 ( -2.458 3.199 0.828) 4.119 3.183 ( -0.454 5.730 0.480) 5.768 3.371 ( 2.034 1.324 -4.709) 5.298 3.429 ( -2.814 -1.656 -0.601) 3.320 3.445 ( -0.453 -7.081 1.947) 7.358 3.510 ( 0.674 -2.045 1.631) 2.701 3.618 ( 3.141 -0.071 -0.802) 3.243 3.676 ( 0.166 -1.685 -1.728) 2.420 3.778 ( -2.084 -1.172 -3.525) 4.259 3.850 ( -1.115 5.162 0.085) 5.281 3.887 ( -1.501 -0.345 0.482) 1.614 3.995 ( -3.226 -3.160 2.657) 5.239 4.126 ( 0.199 -1.987 -0.924) 2.200 4.233 ( 2.498 -0.055 -0.189) 2.506 4.284 ( -2.173 0.397 0.791) 2.347 4.381 ( 7.125 -4.733 4.646) 9.734 4.450 ( -3.579 1.507 -7.658) 8.587 4.554 ( 2.542 1.548 4.261) 5.197 4.646 ( 2.735 0.284 -1.693) 3.229 4.700 ( -1.974 0.896 -2.989) 3.692 4.733 ( 0.660 -1.279 1.346) 1.971 4.916 ( 1.920 -2.046 3.314) 4.343 5.009 ( 1.938 -2.012 -2.653) 3.853 5.207 ( -7.212 -4.887 2.440) 9.047 5.246 ( 2.000 -2.621 -1.733) 3.725 5.256 ( 1.287 -0.503 1.477) 2.023 5.289 ( -0.345 -0.437 -0.247) 0.610 5.403 ( 6.744 -1.495 -4.504) 8.247 5.593 ( 1.396 -1.899 1.978) 3.077 5.647 ( -2.471 4.656 0.028) 5.271 5.796 ( -3.593 3.361 1.995) 5.309 5.916 ( 1.060 0.396 1.828) 2.150 5.950 ( -1.795 0.857 1.115) 2.280 6.111 ( -3.140 -1.521 -2.083) 4.064 6.389 ( 6.620 0.773 -3.361) 7.464 6.486 ( -1.016 -3.684 -2.840) 4.761 8.966 ( 2.045 -1.807 0.767) 2.835 9.009 ( 2.612 -1.999 1.539) 3.631 9.049 ( -2.797 -2.634 0.430) 3.866 9.172 ( 0.380 -0.932 -1.873) 2.126 9.629 ( -2.454 3.870 1.571) 4.844 9.884 ( 0.867 5.028 -0.508) 5.128 9.914 ( -0.947 4.072 4.537) 6.169 10.141 ( 3.856 -2.511 0.961) 4.701 10.338 ( -0.725 6.699 -0.268) 6.744 10.705 ( 2.730 6.593 -8.646) 11.211 10.946 ( -1.055 -1.362 1.929) 2.586 10.993 ( 1.944 0.689 -2.566) 3.292 20.187 ( -6.735 -0.579 2.105) 7.080 20.362 ( -1.207 -1.320 0.427) 1.839 20.389 ( 0.042 0.381 1.559) 1.606 20.663 ( 2.468 -2.041 -2.872) 4.302 20.727 ( -0.919 0.085 -3.713) 3.826 20.876 ( 3.869 2.455 10.507) 11.462 21.083 ( -2.017 -2.023 -2.688) 3.922 21.823 ( 3.620 -13.315 1.365) 13.866 22.032 ( -1.482 -0.338 0.482) 1.595 22.092 ( -0.151 -1.418 -0.694) 1.586 22.338 ( 0.943 4.467 0.592) 4.604 22.648 ( 7.300 5.520 -2.656) 9.530 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -10.656 8.680 4.925) 14.600 0.332 ( -3.599 10.119 8.478) 13.683 0.581 ( -4.692 10.136 2.164) 11.377 0.752 ( -4.399 14.348 9.562) 17.794 0.998 ( -0.128 0.664 -2.398) 2.491 1.094 ( 3.340 1.706 -2.040) 4.269 1.158 ( -0.899 -1.087 -2.325) 2.720 1.241 ( -4.082 0.351 1.882) 4.508 1.427 ( 1.519 -1.227 -0.829) 2.121 1.433 ( 2.679 -1.363 -0.181) 3.011 1.480 ( -1.277 0.078 -2.209) 2.553 1.528 ( -0.846 -3.199 0.717) 3.385 1.618 ( -3.855 -0.977 -2.829) 4.881 1.662 ( -2.749 -0.139 -0.192) 2.759 1.704 ( 2.234 1.817 1.755) 3.372 1.827 ( -2.415 -4.158 3.946) 6.220 1.997 ( 0.791 1.200 4.166) 4.407 2.084 ( 0.462 -4.603 -1.008) 4.735 2.200 ( -2.046 1.417 -0.386) 2.518 2.301 ( 1.672 3.676 -0.885) 4.134 2.379 ( -0.506 -3.064 4.667) 5.606 2.569 ( -1.358 -1.296 -3.811) 4.249 2.603 ( 0.630 0.559 -3.633) 3.729 2.642 ( 1.988 0.218 4.233) 4.682 2.727 ( -0.493 -2.487 -3.415) 4.253 2.774 ( 0.223 0.206 2.622) 2.639 2.880 ( 0.755 0.199 -1.629) 1.807 2.959 ( -2.631 3.123 -0.802) 4.161 2.991 ( 1.758 2.345 -1.162) 3.153 3.050 ( -1.098 3.191 2.232) 4.046 3.072 ( -1.763 0.382 2.917) 3.429 3.151 ( 3.753 -2.840 -0.110) 4.707 3.323 ( 1.343 2.917 -8.820) 9.387 3.430 ( 0.198 0.293 -2.143) 2.172 3.510 ( -2.255 0.982 -0.798) 2.586 3.575 ( -2.833 -6.367 -1.357) 7.100 3.639 ( 3.577 2.489 -1.238) 4.530 3.692 ( 1.423 0.785 -1.312) 2.089 3.715 ( 2.564 3.903 -2.703) 5.395 3.805 ( -2.470 -2.920 -1.156) 3.995 3.850 ( -1.809 3.234 -2.146) 4.282 4.037 ( -5.030 -3.662 0.539) 6.245 4.160 ( -2.252 -0.794 -2.335) 3.340 4.212 ( -1.456 2.851 -1.363) 3.479 4.251 ( -1.502 0.853 -1.285) 2.153 4.370 ( -5.767 -1.734 -3.547) 6.989 4.521 ( -1.877 3.306 -3.984) 5.506 4.527 ( 4.863 -0.639 8.149) 9.511 4.609 ( -0.472 1.800 -2.073) 2.785 4.693 ( 2.492 1.102 4.540) 5.295 4.840 ( 10.252 -4.765 4.562) 12.191 5.000 ( 3.017 -1.473 -3.335) 4.733 5.076 ( 3.448 -6.468 3.786) 8.250 5.242 ( 0.106 -0.621 0.795) 1.014 5.270 ( -0.805 -0.195 1.202) 1.460 5.289 ( -12.394 -12.074 5.914) 18.286 5.332 ( 2.610 -1.793 -0.626) 3.228 5.456 ( 4.018 1.953 -1.067) 4.594 5.510 ( -0.387 4.633 -0.218) 4.654 5.664 ( 1.804 -2.000 1.118) 2.916 5.714 ( -5.836 2.602 0.047) 6.390 5.862 ( 0.693 4.428 1.492) 4.724 5.942 ( -0.001 0.276 -0.775) 0.823 6.128 ( 0.236 1.897 -6.791) 7.055 6.354 ( 3.842 3.208 -2.516) 5.602 6.556 ( -1.703 -4.950 -1.728) 5.513 9.029 ( 2.464 -2.503 0.580) 3.560 9.067 ( -1.690 -2.652 0.893) 3.269 9.086 ( 1.895 -2.549 1.679) 3.592 9.189 ( -1.335 -2.860 0.378) 3.179 9.572 ( -0.989 1.646 1.432) 2.396 9.794 ( -3.216 4.938 -2.034) 6.234 9.829 ( -0.052 4.915 4.398) 6.595 10.185 ( -1.494 1.854 -4.044) 4.693 10.271 ( 0.392 1.946 0.456) 2.037 10.485 ( 12.483 19.756 -14.526) 27.516 10.956 ( -1.606 -0.333 1.574) 2.273 10.983 ( 1.183 0.310 -1.455) 1.901 20.144 ( -13.781 -2.727 -0.482) 14.056 20.361 ( -0.871 0.386 -1.648) 1.904 20.378 ( -0.817 0.791 0.753) 1.364 20.608 ( -0.042 1.819 -10.531) 10.687 20.794 ( 1.662 -4.463 10.727) 11.736 21.084 ( -1.327 -4.975 1.672) 5.413 21.166 ( 21.712 -14.823 28.122) 38.497 22.025 ( -2.991 -1.455 -0.135) 3.329 22.047 ( 1.813 -8.736 0.942) 8.972 22.106 ( -0.318 -0.826 -0.943) 1.293 22.272 ( 1.572 4.989 1.089) 5.343 22.545 ( 11.051 14.364 -8.441) 19.993 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 5.354 0.000 13.071) 14.125 0.467 ( 8.181 0.000 8.771) 11.994 0.637 ( 6.072 0.000 -3.716) 7.118 0.871 ( 11.238 0.000 17.811) 21.060 0.945 ( 5.127 0.000 -3.961) 6.479 1.037 ( -4.684 -0.000 -4.350) 6.393 1.104 ( 0.676 0.000 -4.948) 4.994 1.199 ( 1.093 0.000 3.386) 3.558 1.411 ( -1.504 -0.000 -1.731) 2.293 1.456 ( 2.161 0.000 0.806) 2.307 1.466 ( -0.580 -0.000 -1.542) 1.647 1.468 ( -5.741 -0.000 -3.265) 6.604 1.589 ( 1.498 0.000 0.095) 1.501 1.721 ( 2.452 0.000 -1.918) 3.113 1.780 ( 3.859 0.000 4.840) 6.191 1.840 ( 1.170 0.000 -2.845) 3.077 1.998 ( -1.211 -0.000 -0.167) 1.222 2.175 ( 2.055 0.000 -0.096) 2.058 2.213 ( -3.154 -0.000 -0.308) 3.169 2.215 ( 0.222 0.000 0.951) 0.977 2.504 ( -0.584 -0.000 -4.793) 4.828 2.520 ( -2.295 -0.000 1.231) 2.605 2.569 ( -1.833 -0.000 0.060) 1.834 2.753 ( -0.144 -0.000 -0.866) 0.878 2.754 ( 3.095 0.000 -3.840) 4.932 2.804 ( -2.582 -0.000 7.014) 7.475 2.893 ( 0.476 0.000 1.751) 1.815 2.964 ( 3.979 0.000 -0.144) 3.982 3.008 ( -0.631 -0.000 -0.468) 0.786 3.053 ( 2.810 0.000 2.354) 3.666 3.161 ( 2.977 0.000 1.375) 3.279 3.191 ( 4.761 0.000 -7.612) 8.978 3.278 ( 4.879 0.000 0.777) 4.940 3.387 ( -1.342 -0.000 -1.084) 1.726 3.412 ( 1.887 0.000 -10.578) 10.745 3.491 ( 2.374 0.000 -1.859) 3.015 3.610 ( -1.816 -0.000 -1.442) 2.318 3.632 ( -0.947 -0.000 -1.958) 2.175 3.690 ( 1.497 0.000 -1.606) 2.195 3.746 ( 4.315 0.000 -4.719) 6.394 3.921 ( -5.232 -0.000 3.452) 6.268 4.033 ( 5.737 0.000 4.531) 7.311 4.099 ( -5.865 -0.000 -0.670) 5.903 4.174 ( -0.053 -0.000 1.463) 1.464 4.198 ( -1.897 -0.000 0.076) 1.898 4.390 ( 5.061 0.000 2.649) 5.712 4.410 ( 5.150 0.000 -1.783) 5.450 4.605 ( 1.773 0.000 -1.219) 2.151 4.726 ( 0.272 0.000 6.333) 6.339 4.776 ( -1.051 -0.000 2.735) 2.930 4.990 ( 2.783 0.000 -5.045) 5.762 4.993 ( -0.762 -0.000 -2.661) 2.768 5.136 ( -6.498 -0.000 -1.069) 6.586 5.194 ( -5.644 -0.000 -0.671) 5.684 5.215 ( -6.019 -0.000 4.350) 7.426 5.325 ( -0.133 -0.000 2.094) 2.098 5.366 ( 0.305 0.000 -0.326) 0.446 5.530 ( 0.024 0.000 -3.644) 3.644 5.598 ( -2.539 -0.000 0.693) 2.632 5.600 ( 0.285 0.000 0.433) 0.519 5.703 ( 0.777 0.000 -2.267) 2.396 5.847 ( 3.991 0.000 -3.793) 5.506 5.977 ( -1.112 -0.000 -0.702) 1.315 6.052 ( 7.105 0.000 2.915) 7.680 6.418 ( 2.542 0.000 3.254) 4.129 6.508 ( -2.458 -0.000 -4.213) 4.878 8.997 ( -3.649 -0.000 0.205) 3.654 9.033 ( -3.331 -0.000 0.626) 3.389 9.158 ( -2.653 -0.000 1.724) 3.163 9.242 ( 2.890 0.000 1.730) 3.368 9.579 ( 1.347 0.000 1.522) 2.033 9.622 ( -0.211 -0.000 -1.605) 1.619 9.836 ( -0.313 -0.000 1.334) 1.370 9.921 ( 1.022 0.000 -0.126) 1.030 10.235 ( -1.719 -0.000 1.304) 2.158 10.537 ( 2.855 0.000 -6.879) 7.448 10.922 ( -2.165 -0.000 0.037) 2.166 11.059 ( 3.789 0.000 0.363) 3.807 20.062 ( 0.917 0.000 3.411) 3.532 20.305 ( 0.347 0.000 -3.036) 3.055 20.384 ( -0.297 -0.000 0.982) 1.026 20.514 ( 0.129 0.000 -5.727) 5.728 20.946 ( -0.211 -0.000 6.161) 6.164 21.091 ( -0.585 -0.000 -1.419) 1.535 21.929 ( -7.887 -0.000 -3.407) 8.592 22.069 ( -3.949 -0.000 2.125) 4.484 22.111 ( -4.924 -0.000 -0.271) 4.931 22.161 ( -0.112 -0.000 0.431) 0.446 22.174 ( 0.020 0.000 0.265) 0.265 22.303 ( -1.851 -0.000 -0.168) 1.858 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 7.964 -4.390 5.031) 10.393 0.653 ( 5.899 -8.834 7.303) 12.891 0.711 ( 8.497 -2.850 -2.327) 9.259 0.935 ( -0.585 -1.384 -3.968) 4.243 0.974 ( -1.828 -1.142 1.011) 2.380 1.082 ( 1.537 0.201 -3.440) 3.773 1.132 ( 9.780 -3.128 6.864) 12.352 1.226 ( 1.076 -0.628 3.211) 3.444 1.384 ( -4.741 0.807 -1.826) 5.144 1.394 ( -1.723 0.053 -0.536) 1.805 1.471 ( 0.014 -1.626 -2.149) 2.695 1.506 ( 3.345 -1.976 0.978) 4.006 1.551 ( -1.501 3.465 -0.734) 3.847 1.713 ( 1.032 1.494 -0.158) 1.823 1.811 ( 1.112 1.753 -0.881) 2.255 1.843 ( 3.538 -0.235 3.807) 5.202 2.034 ( 1.161 -2.245 -0.795) 2.649 2.140 ( -3.874 2.943 -0.775) 4.926 2.175 ( -0.067 2.141 -0.645) 2.237 2.242 ( 2.502 -1.405 0.625) 2.937 2.412 ( 1.028 4.527 2.136) 5.110 2.490 ( 0.017 -1.796 -3.580) 4.005 2.618 ( -2.051 -1.824 1.818) 3.292 2.705 ( 0.554 2.640 -1.448) 3.062 2.790 ( 4.809 0.736 -0.101) 4.866 2.837 ( -0.134 3.887 1.193) 4.068 2.874 ( -3.445 -1.039 0.266) 3.608 2.967 ( 0.449 -0.004 -0.550) 0.710 2.986 ( 0.345 1.316 -1.589) 2.092 3.030 ( 3.522 3.240 0.164) 4.789 3.171 ( -1.813 -0.664 -1.664) 2.548 3.248 ( 4.711 -3.598 -2.280) 6.351 3.365 ( 6.035 0.687 1.221) 6.196 3.371 ( 1.094 -2.142 -4.800) 5.369 3.432 ( 0.060 -5.111 -3.079) 5.967 3.535 ( 0.612 -0.308 -0.884) 1.119 3.564 ( 0.847 1.382 1.060) 1.937 3.633 ( 0.647 -1.374 -1.202) 1.937 3.713 ( 2.788 0.668 -0.808) 2.978 3.771 ( 2.444 -0.466 -1.786) 3.063 3.881 ( -2.949 -0.125 -1.303) 3.227 4.022 ( -2.518 4.265 1.819) 5.276 4.076 ( 1.857 1.233 3.182) 3.885 4.168 ( 0.824 0.527 0.461) 1.082 4.194 ( -2.794 -2.608 0.478) 3.852 4.431 ( 4.100 0.665 1.482) 4.410 4.495 ( 6.240 -1.900 1.222) 6.636 4.632 ( 1.319 -1.566 -1.252) 2.400 4.720 ( -1.246 1.904 4.133) 4.718 4.768 ( -2.205 0.768 0.907) 2.505 4.926 ( -0.473 3.256 -5.315) 6.251 4.997 ( 1.405 0.299 -3.553) 3.832 5.074 ( -4.507 0.640 0.012) 4.553 5.114 ( -5.520 2.847 -0.081) 6.211 5.186 ( -5.148 0.325 4.689) 6.971 5.311 ( 1.268 3.114 2.240) 4.040 5.353 ( -3.145 1.641 -0.159) 3.551 5.465 ( -0.087 3.157 -2.317) 3.917 5.519 ( -0.802 3.882 -2.418) 4.643 5.644 ( -0.218 -2.525 -1.658) 3.029 5.740 ( 0.605 -6.475 4.682) 8.013 5.902 ( 3.052 -0.462 -2.541) 3.998 5.946 ( -1.573 1.196 -1.438) 2.444 6.172 ( 3.712 -6.480 -1.379) 7.594 6.405 ( -0.809 4.582 -0.847) 4.729 6.440 ( 0.942 3.824 0.055) 3.939 8.957 ( -2.823 1.247 0.664) 3.157 9.004 ( -4.481 0.696 0.822) 4.609 9.125 ( 1.552 2.789 1.028) 3.353 9.234 ( 1.805 3.204 0.160) 3.681 9.622 ( 1.569 -2.424 2.359) 3.729 9.671 ( -0.058 -5.591 -1.325) 5.746 9.861 ( -2.302 -3.958 2.800) 5.367 10.047 ( 0.424 -9.191 -0.970) 9.251 10.240 ( -0.853 -2.174 0.548) 2.399 10.550 ( 0.506 -3.464 -6.589) 7.461 10.900 ( -2.303 0.524 -0.273) 2.377 11.080 ( 3.408 1.053 0.182) 3.572 20.107 ( 0.692 -2.633 3.463) 4.405 20.307 ( 0.567 -0.432 -2.340) 2.446 20.368 ( -0.666 1.331 0.951) 1.766 20.498 ( 0.211 -0.879 -4.753) 4.838 20.933 ( -0.268 3.288 5.178) 6.140 21.066 ( 0.173 1.728 -0.592) 1.835 21.693 ( -10.867 11.833 -6.300) 17.257 21.930 ( -0.778 14.269 7.780) 16.270 22.056 ( -0.576 1.014 0.403) 1.234 22.101 ( 1.723 1.822 -0.497) 2.557 22.304 ( -0.917 -7.867 1.516) 8.064 22.362 ( -6.738 -7.687 -3.433) 10.783 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 5.303 -3.522 -0.489) 6.385 0.822 ( 7.241 -3.153 1.462) 8.032 0.868 ( 3.717 -7.088 3.651) 8.797 0.927 ( 0.321 -1.806 -5.676) 5.965 1.022 ( -1.746 -4.191 -0.133) 4.542 1.065 ( 1.615 0.972 -3.068) 3.601 1.211 ( 2.089 -0.516 2.847) 3.569 1.301 ( 1.644 -2.593 2.747) 4.120 1.366 ( -2.591 -3.004 0.599) 4.012 1.393 ( -1.440 -0.321 -0.066) 1.477 1.486 ( -1.724 -1.073 -1.192) 2.355 1.499 ( 0.637 -0.790 -0.943) 1.385 1.584 ( 3.277 -2.929 0.968) 4.500 1.693 ( 0.101 0.430 -1.043) 1.133 1.786 ( -0.500 2.025 -0.165) 2.092 1.866 ( 2.927 3.232 3.561) 5.630 1.988 ( -0.251 6.205 -0.379) 6.221 2.107 ( -1.527 1.207 1.080) 2.226 2.149 ( 2.008 -1.229 -1.058) 2.581 2.289 ( 1.215 -1.419 1.616) 2.470 2.423 ( 3.481 -0.649 3.136) 4.730 2.533 ( -0.191 -3.905 -0.644) 3.962 2.620 ( -1.038 3.418 4.461) 5.714 2.667 ( 1.342 4.053 -1.299) 4.462 2.692 ( 2.039 5.532 -3.806) 7.017 2.788 ( 4.548 3.199 1.861) 5.863 2.873 ( -2.873 -1.494 -5.309) 6.219 2.965 ( -0.121 0.658 -0.004) 0.669 2.984 ( -3.220 -2.351 -0.493) 4.017 3.019 ( 1.769 0.819 1.479) 2.447 3.164 ( -2.332 -2.055 -2.850) 4.217 3.295 ( 3.261 0.525 -0.864) 3.414 3.377 ( 1.901 -1.235 -2.268) 3.207 3.438 ( -5.631 3.739 0.994) 6.832 3.474 ( 0.856 -1.320 -0.468) 1.642 3.519 ( 7.808 -3.591 0.893) 8.640 3.592 ( 2.256 0.547 3.350) 4.076 3.667 ( 0.278 -0.404 -1.608) 1.681 3.697 ( 2.568 1.306 -3.444) 4.490 3.771 ( -0.230 1.340 3.742) 3.981 3.898 ( 2.099 -3.470 -3.599) 5.422 3.956 ( -1.788 2.087 2.844) 3.955 4.073 ( 0.273 1.073 2.677) 2.897 4.203 ( -1.444 -1.564 1.059) 2.377 4.207 ( 1.152 -1.334 -0.690) 1.893 4.416 ( -0.598 2.778 -0.946) 2.995 4.563 ( 5.938 2.184 -1.087) 6.420 4.636 ( -1.250 0.375 0.759) 1.510 4.712 ( -1.032 -1.164 1.079) 1.893 4.727 ( -1.014 2.938 3.721) 4.848 4.863 ( 2.264 0.829 -7.896) 8.256 4.958 ( -3.267 0.669 -7.214) 7.947 4.999 ( -2.883 3.040 -0.071) 4.190 5.085 ( 1.401 0.278 1.538) 2.098 5.169 ( -3.316 0.749 8.141) 8.822 5.239 ( -2.105 5.530 1.874) 6.207 5.291 ( 2.174 2.548 -1.857) 3.830 5.442 ( -2.525 2.129 -3.547) 4.847 5.453 ( -0.930 -1.448 -1.176) 2.084 5.679 ( -0.665 -2.540 -0.770) 2.736 5.844 ( -2.259 -2.279 3.737) 4.926 5.898 ( 2.196 1.716 -0.752) 2.887 5.969 ( 1.457 -5.312 2.110) 5.898 6.227 ( -0.223 4.836 -1.933) 5.213 6.334 ( -2.701 -4.960 -5.942) 8.198 6.390 ( 3.328 5.420 2.510) 6.838 8.920 ( -2.428 0.821 0.284) 2.578 8.959 ( -3.013 0.787 1.167) 3.325 9.091 ( 1.550 3.441 0.693) 3.838 9.197 ( 2.389 2.390 -0.947) 3.509 9.695 ( 1.117 -3.499 1.968) 4.167 9.771 ( 0.380 -6.082 -0.498) 6.114 9.917 ( -4.379 -2.757 3.927) 6.496 10.130 ( -0.059 -0.531 0.004) 0.534 10.355 ( 1.618 -10.686 -0.493) 10.819 10.611 ( -0.486 -6.560 -5.226) 8.401 10.861 ( -2.573 1.637 -0.087) 3.051 11.080 ( 2.780 1.925 -0.181) 3.386 20.187 ( -0.029 -4.276 3.388) 5.455 20.275 ( -0.551 2.826 -0.116) 2.882 20.368 ( -0.017 -0.631 -0.018) 0.632 20.508 ( 0.889 -1.920 -3.424) 4.025 20.906 ( -0.165 1.875 3.452) 3.932 21.038 ( 0.944 1.673 0.248) 1.937 21.385 ( -8.515 9.226 -9.608) 15.809 21.701 ( 0.925 16.270 7.211) 17.820 22.043 ( -0.004 0.692 0.338) 0.770 22.085 ( 1.027 1.262 -0.477) 1.696 22.367 ( -4.217 -4.247 -0.617) 6.017 22.480 ( -1.745 -8.748 -0.230) 8.924 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.538 1.663 1.113) 2.072 0.912 ( 3.225 -1.431 -1.185) 3.722 0.940 ( 2.885 -0.968 -3.514) 4.649 0.976 ( 0.528 -1.188 1.118) 1.714 1.053 ( 2.584 -0.379 0.284) 2.627 1.097 ( 0.389 -4.040 -2.198) 4.616 1.272 ( -1.676 -4.097 0.838) 4.505 1.328 ( -1.896 -0.868 1.023) 2.322 1.396 ( -0.289 -2.896 -0.140) 2.914 1.417 ( 0.619 -2.302 0.817) 2.519 1.487 ( -0.549 2.117 -2.309) 3.180 1.534 ( -0.601 -4.455 -0.379) 4.511 1.663 ( 1.221 -3.392 -0.151) 3.609 1.693 ( 0.107 0.487 -1.049) 1.162 1.741 ( -0.366 1.559 1.028) 1.903 1.814 ( 2.027 4.788 0.913) 5.279 1.882 ( -0.342 5.283 -0.233) 5.299 2.059 ( -0.183 3.391 3.141) 4.626 2.197 ( -1.099 -1.423 1.279) 2.207 2.329 ( 1.608 -0.639 0.323) 1.761 2.437 ( 1.059 4.115 1.272) 4.435 2.525 ( 0.182 2.501 0.875) 2.656 2.564 ( 1.974 5.100 1.107) 5.580 2.610 ( -2.502 -2.423 -1.690) 3.871 2.698 ( 3.399 -0.793 1.992) 4.018 2.789 ( 0.857 1.668 -0.607) 1.971 2.875 ( 0.810 -2.836 2.375) 3.787 2.936 ( -2.445 1.496 1.251) 3.127 3.021 ( 1.746 -1.180 -0.256) 2.123 3.045 ( -2.548 -5.020 -0.805) 5.687 3.168 ( 0.614 0.249 -1.076) 1.264 3.275 ( -1.333 2.834 1.931) 3.679 3.361 ( -4.057 -0.748 0.512) 4.157 3.395 ( 0.751 0.156 -2.330) 2.453 3.445 ( -0.265 4.401 1.704) 4.726 3.581 ( 3.088 -0.055 -2.427) 3.929 3.627 ( 3.154 2.929 -5.630) 7.087 3.673 ( 3.104 -2.954 4.181) 5.987 3.695 ( 0.766 0.530 1.068) 1.417 3.771 ( -0.895 0.064 3.707) 3.814 3.937 ( -1.549 0.580 3.195) 3.597 3.987 ( 3.919 -5.051 -2.810) 6.983 4.084 ( 0.125 -1.287 0.719) 1.480 4.165 ( -2.003 3.309 -0.646) 3.922 4.235 ( -0.048 0.594 0.779) 0.981 4.363 ( -1.441 -0.102 -3.981) 4.235 4.520 ( 0.894 2.592 -2.672) 3.828 4.576 ( -0.172 4.626 -1.105) 4.759 4.704 ( -3.141 -0.061 2.351) 3.924 4.770 ( 2.179 -1.387 1.167) 2.835 4.851 ( 2.761 0.372 -4.187) 5.029 4.880 ( 0.092 3.167 -1.695) 3.593 4.962 ( 0.627 -1.561 -4.999) 5.274 5.076 ( 0.730 1.537 -0.574) 1.796 5.127 ( -3.420 4.007 3.218) 6.173 5.225 ( 0.907 -2.185 5.681) 6.153 5.272 ( 1.720 1.789 -1.607) 2.956 5.367 ( -1.677 1.022 -6.357) 6.653 5.477 ( -1.221 -2.296 1.563) 3.034 5.700 ( 2.131 1.470 2.034) 3.292 5.868 ( -1.452 -0.275 3.751) 4.032 5.909 ( -1.519 -3.331 0.988) 3.791 6.055 ( -1.461 -0.722 -2.433) 2.928 6.147 ( 0.136 -0.307 2.095) 2.121 6.295 ( -0.503 5.638 1.482) 5.851 6.413 ( 1.872 -4.172 -5.905) 7.469 8.898 ( -1.600 -0.286 0.206) 1.639 8.943 ( -1.616 -0.282 1.261) 2.070 9.046 ( 0.721 2.894 0.448) 3.016 9.182 ( 2.627 1.413 -1.511) 3.344 9.767 ( 0.270 -2.449 2.307) 3.375 9.864 ( -0.977 -3.901 1.107) 4.171 9.923 ( -1.861 -1.609 1.438) 2.850 10.107 ( 0.127 2.515 -0.343) 2.541 10.562 ( 2.489 -10.267 -0.076) 10.564 10.687 ( -1.808 -3.729 -3.262) 5.274 10.812 ( -2.023 0.708 0.969) 2.352 11.059 ( 2.138 2.555 -1.000) 3.478 20.231 ( -0.215 1.067 0.347) 1.142 20.276 ( -0.583 -4.110 3.197) 5.240 20.359 ( -0.504 1.402 -0.396) 1.541 20.546 ( 1.234 -2.497 -1.503) 3.165 20.865 ( -2.033 3.775 0.097) 4.289 21.030 ( 1.123 0.791 -0.845) 1.613 21.224 ( -2.244 -1.382 -5.801) 6.371 21.461 ( 0.144 15.040 4.347) 15.656 22.035 ( 0.049 0.326 0.100) 0.344 22.069 ( 0.588 1.068 -0.497) 1.316 22.402 ( -2.827 -2.993 0.622) 4.164 22.595 ( 0.038 -5.673 -0.382) 5.686 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -0.818 4.499 2.155) 5.055 0.918 ( 0.732 6.404 -0.030) 6.446 0.934 ( -1.456 1.851 -3.412) 4.146 0.960 ( 1.814 -0.577 0.137) 1.909 1.075 ( 0.964 0.136 1.034) 1.421 1.143 ( 0.816 -1.490 -2.096) 2.698 1.283 ( -2.336 -0.852 0.058) 2.487 1.349 ( -2.351 0.186 -2.761) 3.631 1.390 ( -1.589 1.442 1.975) 2.916 1.451 ( 2.271 -0.469 -0.306) 2.339 1.500 ( 1.328 -3.317 -1.374) 3.828 1.578 ( -0.011 -0.254 1.391) 1.414 1.642 ( -1.392 0.855 -0.834) 1.834 1.691 ( 0.586 2.949 0.958) 3.155 1.742 ( 1.302 -1.569 -1.546) 2.558 1.800 ( 1.392 -0.363 -1.559) 2.121 1.860 ( -1.003 -3.356 2.058) 4.063 1.990 ( 1.039 8.756 2.703) 9.222 2.195 ( -4.650 -2.469 4.028) 6.629 2.289 ( -1.381 4.576 1.044) 4.893 2.374 ( 1.035 3.059 -2.289) 3.959 2.529 ( 1.404 -0.330 1.644) 2.187 2.549 ( 2.962 -2.132 0.373) 3.669 2.623 ( -6.321 -2.659 -0.484) 6.875 2.733 ( 4.106 2.444 1.136) 4.912 2.774 ( -1.133 -1.122 0.408) 1.646 2.881 ( -5.284 1.602 -0.515) 5.545 2.920 ( 0.484 1.328 4.346) 4.571 3.051 ( 1.757 -1.387 -0.287) 2.257 3.130 ( -0.928 -4.599 1.021) 4.801 3.168 ( 0.186 -0.958 0.435) 1.068 3.224 ( -0.892 2.876 2.298) 3.787 3.335 ( -4.222 1.661 -2.402) 5.133 3.384 ( -0.692 -0.783 2.978) 3.156 3.414 ( 2.811 0.156 2.083) 3.502 3.543 ( 1.890 4.382 -4.333) 6.446 3.618 ( 3.469 -0.539 -5.301) 6.358 3.676 ( 0.026 1.948 -0.421) 1.993 3.727 ( -0.083 -0.047 3.395) 3.397 3.804 ( -2.268 -3.120 1.328) 4.080 3.933 ( -2.307 0.135 4.528) 5.083 4.059 ( 2.501 0.237 -1.399) 2.876 4.068 ( -1.208 3.066 -4.022) 5.200 4.147 ( 3.087 -4.559 1.677) 5.756 4.232 ( 0.536 -1.183 0.614) 1.437 4.360 ( -0.248 -0.275 -3.314) 3.335 4.446 ( -2.755 1.219 -2.856) 4.151 4.566 ( 5.393 -0.075 0.083) 5.394 4.659 ( -4.615 2.067 -1.239) 5.206 4.738 ( -3.056 1.502 -2.473) 4.208 4.820 ( 2.131 4.841 1.201) 5.424 4.903 ( 3.682 -1.270 0.112) 3.897 5.000 ( 4.439 -0.633 -3.483) 5.678 5.074 ( -0.489 -1.902 -0.825) 2.130 5.106 ( 0.350 -3.366 2.419) 4.160 5.221 ( -2.472 1.614 -0.153) 2.956 5.278 ( 0.040 -1.110 1.201) 1.636 5.353 ( 3.017 -1.236 -7.457) 8.139 5.530 ( -2.413 -4.267 3.481) 6.012 5.682 ( 3.446 4.042 2.099) 5.711 5.873 ( -3.738 -0.995 3.637) 5.310 5.953 ( -1.804 -1.360 1.976) 3.001 6.001 ( -0.454 2.706 -2.137) 3.478 6.203 ( -0.483 4.968 2.021) 5.385 6.214 ( -0.657 -4.685 1.358) 4.922 6.463 ( 3.188 -2.365 -6.427) 7.554 8.909 ( -0.245 -1.671 0.532) 1.770 8.949 ( -0.836 -1.124 0.997) 1.719 9.015 ( -0.174 1.235 0.378) 1.303 9.174 ( 2.064 0.847 -2.235) 3.158 9.763 ( -2.469 2.862 2.444) 4.501 9.910 ( -0.396 -2.650 2.994) 4.018 9.996 ( 1.454 -5.155 -0.336) 5.367 10.049 ( 0.128 3.966 -1.201) 4.146 10.614 ( -1.751 6.224 0.404) 6.478 10.728 ( 1.180 -5.251 -1.696) 5.643 10.849 ( -0.795 -4.032 1.434) 4.352 11.026 ( 1.766 1.975 -2.549) 3.676 20.233 ( 0.617 -0.228 0.529) 0.844 20.317 ( -2.333 1.565 0.616) 2.876 20.346 ( -0.090 -3.022 1.343) 3.309 20.587 ( 1.203 -1.729 -1.203) 2.426 20.777 ( -1.157 3.559 0.616) 3.793 21.020 ( 0.457 0.055 -0.724) 0.858 21.189 ( 0.045 10.500 -1.969) 10.683 21.370 ( 0.453 -8.857 1.195) 8.949 22.035 ( 0.003 -0.094 -0.036) 0.101 22.056 ( 0.215 0.347 -0.521) 0.661 22.420 ( -1.237 -0.292 1.638) 2.073 22.672 ( 1.435 -3.141 -1.316) 3.695 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.050 6.944 4.932) 8.518 0.725 ( -3.106 12.681 1.593) 13.152 0.844 ( -1.746 6.042 -2.869) 6.913 0.993 ( 0.601 -0.860 0.682) 1.252 1.085 ( 0.858 -0.998 -2.270) 2.624 1.151 ( 1.866 0.368 -2.372) 3.041 1.259 ( -2.011 1.540 -0.543) 2.591 1.274 ( -1.922 4.365 -0.575) 4.804 1.405 ( 1.943 0.319 3.256) 3.805 1.455 ( 0.612 1.228 -0.727) 1.553 1.503 ( 0.691 1.279 0.763) 1.642 1.577 ( -1.206 0.291 -1.260) 1.768 1.639 ( -0.209 2.106 -0.282) 2.135 1.679 ( 1.993 4.777 0.638) 5.215 1.694 ( -1.458 1.690 -0.446) 2.276 1.796 ( -0.712 3.828 -0.128) 3.896 1.876 ( 0.688 -5.266 1.754) 5.593 1.963 ( -2.263 -3.921 3.604) 5.786 2.221 ( -1.095 2.343 2.374) 3.510 2.265 ( -4.506 -5.723 3.725) 8.181 2.342 ( 1.508 0.769 -0.727) 1.842 2.570 ( 1.348 -1.166 0.962) 2.025 2.589 ( 0.388 -1.595 -5.002) 5.264 2.629 ( -1.271 -2.820 -1.393) 3.393 2.688 ( 0.037 3.575 -2.948) 4.633 2.754 ( -4.799 1.399 -1.100) 5.118 2.879 ( -1.421 -5.252 5.733) 7.904 2.908 ( 1.407 2.269 2.272) 3.506 3.061 ( -2.800 0.652 0.713) 2.962 3.124 ( 4.738 3.466 -0.576) 5.898 3.178 ( -0.896 3.706 1.966) 4.289 3.230 ( 0.828 -0.776 -0.791) 1.383 3.304 ( -3.567 -3.846 1.504) 5.457 3.399 ( 0.704 -0.300 0.943) 1.215 3.429 ( 0.638 2.475 -2.097) 3.306 3.502 ( 1.144 -0.740 1.179) 1.802 3.631 ( 2.485 -0.505 -0.203) 2.543 3.661 ( 2.547 -0.358 -3.681) 4.490 3.734 ( -1.069 -0.517 0.544) 1.306 3.796 ( -6.476 -1.579 -3.699) 7.623 3.927 ( -1.921 2.146 0.994) 3.047 3.982 ( -0.376 1.861 -0.820) 2.068 4.097 ( 1.481 -1.718 0.051) 2.269 4.243 ( 2.379 -2.293 2.670) 4.248 4.298 ( -0.395 2.311 0.142) 2.349 4.337 ( 2.568 -5.458 3.019) 6.745 4.428 ( -0.497 0.674 -7.780) 7.825 4.597 ( -2.150 -0.992 -0.882) 2.527 4.628 ( 4.425 -2.242 1.777) 5.269 4.673 ( -2.765 1.551 -3.368) 4.625 4.772 ( 1.491 3.156 2.050) 4.048 4.931 ( 1.597 -0.055 1.835) 2.433 5.010 ( 2.865 0.559 -0.094) 2.921 5.136 ( -4.100 -0.445 1.426) 4.363 5.165 ( 2.127 -5.651 -2.857) 6.680 5.237 ( 0.519 -2.876 0.571) 2.978 5.296 ( -0.350 -0.764 0.813) 1.170 5.367 ( 3.519 -2.636 -7.998) 9.127 5.591 ( -3.540 -2.871 2.622) 5.259 5.659 ( 3.269 1.483 -0.246) 3.598 5.841 ( -5.641 3.176 4.799) 8.058 5.947 ( 1.240 1.595 0.873) 2.201 5.966 ( -0.252 0.834 1.407) 1.655 6.125 ( -0.458 3.987 1.511) 4.288 6.314 ( -1.205 -7.086 -0.185) 7.190 6.481 ( 4.290 0.654 -7.085) 8.308 8.949 ( 0.823 -2.176 0.923) 2.502 8.982 ( -0.679 -2.797 0.824) 2.994 9.004 ( -0.711 -0.337 0.475) 0.919 9.165 ( 1.180 0.343 -2.898) 3.148 9.691 ( -1.752 4.184 2.374) 5.120 9.950 ( -1.452 0.700 1.834) 2.442 9.969 ( -0.116 3.423 -0.167) 3.429 10.096 ( 1.349 -4.779 0.098) 4.967 10.472 ( -0.292 8.737 0.929) 8.791 10.761 ( 1.902 1.562 -2.812) 3.736 10.909 ( -1.254 -2.830 1.363) 3.382 11.004 ( 1.455 0.517 -3.845) 4.144 20.205 ( -1.168 3.861 1.695) 4.375 20.309 ( -2.250 -2.468 -0.756) 3.424 20.389 ( 0.075 -1.337 0.779) 1.550 20.616 ( 1.275 -1.665 -4.283) 4.769 20.753 ( 1.139 1.067 5.834) 6.039 21.012 ( -1.507 5.532 0.760) 5.784 21.045 ( 3.629 0.018 2.816) 4.593 21.587 ( -0.353 -14.592 -1.788) 14.705 22.029 ( -0.312 0.417 0.303) 0.602 22.065 ( 0.188 -1.197 -0.690) 1.394 22.407 ( 0.127 2.190 2.185) 3.096 22.707 ( 1.673 -0.282 -3.020) 3.464 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 1.490 12.099 5.533) 13.388 0.554 ( 3.394 9.263 8.437) 12.981 0.695 ( 0.189 7.941 -4.009) 8.898 0.993 ( 0.213 1.861 -0.969) 2.108 1.068 ( 0.097 9.577 2.999) 10.036 1.124 ( -2.628 2.960 -0.186) 3.962 1.139 ( 1.170 2.013 -3.318) 4.054 1.233 ( -0.660 1.476 0.426) 1.672 1.415 ( -0.656 -0.478 1.233) 1.476 1.436 ( 0.204 1.719 0.334) 1.763 1.475 ( -2.503 1.912 -0.022) 3.150 1.527 ( 4.516 0.474 0.234) 4.547 1.588 ( -0.599 1.255 -1.892) 2.348 1.619 ( -3.606 -0.427 -1.296) 3.856 1.740 ( 0.883 -1.639 1.762) 2.563 1.778 ( -0.184 -0.635 2.525) 2.610 1.995 ( 1.915 -5.738 2.386) 6.502 2.017 ( -0.670 -2.281 2.152) 3.206 2.220 ( 2.134 0.326 2.172) 3.062 2.285 ( -5.096 -1.642 -2.499) 5.908 2.359 ( -0.865 -0.609 3.083) 3.260 2.557 ( -0.383 0.703 -3.952) 4.032 2.608 ( 0.391 1.435 -2.881) 3.242 2.642 ( 0.625 -2.242 -1.888) 2.997 2.655 ( 2.006 -2.070 -0.990) 3.047 2.744 ( -3.414 -4.271 -0.435) 5.485 2.884 ( 0.830 1.352 2.565) 3.016 2.960 ( -2.232 -1.507 0.206) 2.701 3.075 ( 3.096 4.651 1.091) 5.693 3.078 ( 2.217 1.047 0.977) 2.639 3.112 ( 1.877 3.041 2.236) 4.216 3.194 ( 0.166 2.517 1.234) 2.808 3.349 ( -1.492 0.041 -4.580) 4.817 3.403 ( 0.960 -3.057 -2.254) 3.918 3.431 ( 0.362 -1.734 1.113) 2.092 3.528 ( -0.339 -0.434 1.112) 1.242 3.662 ( 0.113 0.284 -1.253) 1.290 3.692 ( 1.129 -3.085 2.157) 3.930 3.704 ( -1.899 1.285 -5.036) 5.533 3.802 ( 0.255 -4.266 -3.401) 5.462 3.837 ( -0.202 3.910 -5.449) 6.709 3.984 ( -2.167 -0.993 3.595) 4.313 4.134 ( 0.597 -1.039 0.289) 1.233 4.242 ( -6.292 5.500 -7.498) 11.227 4.264 ( 1.996 1.405 0.412) 2.475 4.319 ( -0.296 -0.264 1.828) 1.871 4.490 ( -1.907 -3.995 3.141) 5.427 4.605 ( 1.633 1.778 0.494) 2.464 4.630 ( 1.994 0.381 -1.549) 2.553 4.752 ( 2.712 0.747 3.642) 4.601 4.777 ( 5.583 -7.813 -0.574) 9.620 4.973 ( 0.593 -2.835 1.389) 3.212 5.047 ( 3.053 -2.317 2.939) 4.830 5.106 ( -6.777 -1.559 2.464) 7.377 5.233 ( -0.790 -3.009 -3.447) 4.643 5.256 ( -0.209 0.052 -0.964) 0.988 5.316 ( 0.328 -1.597 2.155) 2.702 5.447 ( 3.313 -4.859 -4.120) 7.180 5.571 ( -3.534 2.460 0.325) 4.318 5.681 ( 2.624 -0.631 -1.657) 3.166 5.748 ( -1.946 5.769 5.816) 8.420 5.921 ( -1.543 2.337 0.119) 2.803 5.959 ( -0.001 0.284 1.743) 1.766 6.107 ( 2.755 -0.119 1.329) 3.061 6.420 ( -2.625 -6.774 -2.656) 7.735 6.441 ( 3.986 3.520 -6.750) 8.594 9.000 ( -3.158 -1.903 0.403) 3.709 9.008 ( 2.049 -2.731 0.943) 3.542 9.050 ( -0.260 -3.608 1.481) 3.909 9.158 ( 0.774 -0.258 -2.581) 2.707 9.624 ( -0.411 3.757 2.508) 4.536 9.851 ( -2.137 5.413 -3.262) 6.671 9.940 ( -1.559 4.119 4.805) 6.518 10.157 ( -1.364 -1.679 -0.717) 2.279 10.343 ( 0.148 6.589 0.949) 6.658 10.694 ( 5.156 6.386 -9.317) 12.417 10.935 ( -1.815 -1.234 0.981) 2.404 10.994 ( 1.381 0.242 -1.925) 2.382 20.128 ( -2.477 4.223 3.379) 5.948 20.328 ( -1.543 -2.142 -1.189) 2.895 20.395 ( -0.505 0.893 0.029) 1.026 20.591 ( 0.360 1.422 -9.289) 9.404 20.797 ( 0.819 -1.290 8.238) 8.379 21.006 ( -0.323 -3.226 3.181) 4.542 21.195 ( 11.376 -8.909 14.905) 20.759 21.805 ( -4.085 -13.723 -3.976) 14.859 22.028 ( 0.078 -0.337 1.021) 1.079 22.084 ( 0.111 -1.137 -0.963) 1.494 22.368 ( 0.805 4.044 2.555) 4.851 22.670 ( -0.122 3.324 -6.261) 7.090 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 5.921 0.000 8.488) 10.349 0.656 ( 8.623 0.000 2.121) 8.880 0.767 ( 10.626 0.000 -0.285) 10.630 0.915 ( -0.261 -0.000 2.454) 2.468 0.941 ( -2.698 -0.000 -2.597) 3.745 1.072 ( 1.006 0.000 -5.722) 5.810 1.227 ( 8.105 0.000 6.423) 10.341 1.265 ( 3.699 0.000 2.833) 4.659 1.332 ( -7.050 -0.000 -3.245) 7.761 1.374 ( -1.602 -0.000 -0.315) 1.633 1.467 ( 3.532 0.000 -0.112) 3.534 1.514 ( 3.216 0.000 0.957) 3.355 1.578 ( -2.198 -0.000 0.147) 2.203 1.703 ( -3.364 -0.000 -0.976) 3.503 1.838 ( 2.945 0.000 -4.629) 5.487 1.893 ( 3.137 0.000 5.718) 6.522 1.997 ( 1.642 0.000 -1.991) 2.581 2.151 ( -1.800 -0.000 -2.074) 2.746 2.183 ( -0.160 -0.000 1.993) 1.999 2.264 ( 3.274 0.000 1.076) 3.447 2.441 ( -2.309 -0.000 -2.641) 3.508 2.530 ( -2.430 -0.000 -0.382) 2.459 2.533 ( 0.942 0.000 0.913) 1.312 2.719 ( -1.215 -0.000 -1.698) 2.088 2.768 ( 3.062 0.000 -4.129) 5.141 2.833 ( -3.665 -0.000 10.860) 11.462 2.951 ( 2.279 0.000 4.408) 4.962 2.956 ( -0.105 -0.000 -7.791) 7.791 2.983 ( 0.235 0.000 -4.935) 4.941 3.097 ( -0.137 -0.000 -0.990) 1.000 3.161 ( -0.827 -0.000 -0.444) 0.939 3.278 ( 11.014 0.000 -0.113) 11.015 3.339 ( -0.035 -0.000 -6.628) 6.628 3.360 ( 3.986 0.000 1.009) 4.112 3.464 ( 6.333 0.000 4.590) 7.821 3.495 ( 2.558 0.000 -5.418) 5.991 3.573 ( -0.507 -0.000 -1.303) 1.398 3.654 ( 2.987 0.000 1.224) 3.228 3.767 ( 6.985 0.000 0.675) 7.017 3.775 ( 1.511 0.000 0.539) 1.604 3.852 ( -3.232 -0.000 -0.622) 3.292 4.033 ( -6.132 -0.000 3.625) 7.124 4.124 ( 2.577 0.000 1.554) 3.009 4.154 ( -1.809 -0.000 0.694) 1.938 4.179 ( 0.925 0.000 -0.265) 0.962 4.463 ( 1.241 0.000 1.423) 1.888 4.544 ( 4.799 0.000 2.670) 5.492 4.640 ( 6.054 0.000 -1.853) 6.331 4.739 ( -1.858 -0.000 -1.880) 2.643 4.745 ( -1.844 -0.000 1.391) 2.310 4.934 ( -4.094 -0.000 -1.441) 4.340 4.984 ( -1.107 -0.000 -4.189) 4.333 5.033 ( -4.727 -0.000 0.536) 4.757 5.077 ( -6.139 -0.000 0.963) 6.215 5.173 ( -3.606 -0.000 3.334) 4.911 5.311 ( -2.907 -0.000 -0.031) 2.907 5.357 ( -0.155 -0.000 -1.720) 1.727 5.474 ( -1.067 -0.000 -5.074) 5.185 5.594 ( -0.231 -0.000 2.870) 2.880 5.615 ( 0.916 0.000 1.456) 1.720 5.687 ( -0.868 -0.000 -1.146) 1.438 5.895 ( 4.881 0.000 -2.832) 5.643 5.931 ( -2.266 -0.000 -3.400) 4.086 6.131 ( 0.670 0.000 1.720) 1.846 6.444 ( -1.081 -0.000 -2.376) 2.610 6.504 ( 3.712 0.000 3.297) 4.965 8.951 ( -2.810 -0.000 1.052) 3.001 8.982 ( -3.465 -0.000 1.101) 3.635 9.166 ( 1.425 0.000 0.660) 1.571 9.276 ( 0.505 0.000 0.327) 0.602 9.614 ( 0.251 0.000 -0.488) 0.549 9.627 ( 1.901 0.000 2.456) 3.106 9.833 ( -0.797 -0.000 0.215) 0.826 9.934 ( 0.710 0.000 -0.201) 0.738 10.225 ( -0.464 -0.000 0.770) 0.900 10.499 ( -0.176 -0.000 -4.778) 4.781 10.885 ( -2.006 -0.000 -0.201) 2.016 11.114 ( 2.917 0.000 -0.530) 2.965 20.105 ( 0.425 0.000 3.478) 3.504 20.304 ( 2.012 0.000 -0.651) 2.114 20.388 ( -0.342 -0.000 1.061) 1.115 20.463 ( -1.008 -0.000 -4.309) 4.426 20.990 ( -0.203 -0.000 4.210) 4.215 21.065 ( -0.660 -0.000 -1.941) 2.050 21.693 ( -12.258 -0.000 -8.547) 14.944 22.024 ( -4.782 -0.000 3.153) 5.727 22.064 ( -1.825 -0.000 1.143) 2.154 22.160 ( -0.361 -0.000 0.187) 0.406 22.181 ( 0.385 0.000 0.446) 0.589 22.251 ( -3.192 -0.000 -0.903) 3.318 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 6.759 -1.684 -2.576) 7.427 0.782 ( 5.003 -5.749 2.324) 7.967 0.856 ( 6.125 -1.448 2.709) 6.852 0.910 ( 1.742 0.207 -1.496) 2.305 0.962 ( -0.253 -2.256 3.716) 4.355 1.061 ( 0.292 -1.081 -4.353) 4.494 1.242 ( -4.080 2.171 -1.678) 4.917 1.293 ( 0.325 -1.880 3.534) 4.016 1.315 ( 1.949 -1.034 1.315) 2.569 1.382 ( 0.292 -1.257 0.778) 1.507 1.491 ( 0.582 3.962 -1.114) 4.156 1.508 ( 1.773 0.230 1.236) 2.174 1.577 ( 2.363 -1.650 0.110) 2.884 1.678 ( -3.665 -0.758 -0.938) 3.858 1.817 ( 2.016 2.126 -2.690) 3.977 1.936 ( 2.093 0.557 4.208) 4.733 2.036 ( -0.729 -3.406 -2.169) 4.103 2.088 ( 0.340 4.747 -0.773) 4.822 2.194 ( 2.821 1.180 1.270) 3.312 2.302 ( 2.643 -0.505 2.412) 3.613 2.453 ( -0.860 -3.728 -0.276) 3.836 2.470 ( 1.045 1.682 0.992) 2.215 2.584 ( -2.190 -3.455 -0.946) 4.199 2.721 ( 1.642 0.087 1.607) 2.299 2.781 ( -0.738 -1.681 -4.738) 5.081 2.806 ( -3.731 4.446 1.102) 5.907 2.885 ( 1.766 3.650 1.114) 4.205 2.964 ( 0.610 -1.069 -1.116) 1.661 2.985 ( 0.565 2.711 -3.427) 4.406 3.097 ( 2.192 -0.245 2.933) 3.670 3.098 ( -1.792 3.101 -1.279) 3.803 3.311 ( 3.422 0.197 -3.050) 4.588 3.380 ( 6.516 -1.271 0.380) 6.649 3.442 ( 4.453 -1.804 -4.771) 6.771 3.477 ( -2.549 3.076 2.727) 4.837 3.520 ( 4.816 -3.531 0.136) 5.973 3.626 ( 4.473 -2.830 0.858) 5.362 3.661 ( 1.881 2.225 0.423) 2.944 3.753 ( 1.664 3.328 -1.164) 3.898 3.802 ( -0.353 0.685 2.745) 2.852 3.865 ( 2.586 -1.857 -0.485) 3.220 3.977 ( -5.546 1.729 5.281) 7.851 4.128 ( 1.548 1.940 1.322) 2.811 4.161 ( -1.072 -0.993 0.987) 1.763 4.211 ( 3.842 -1.662 0.119) 4.188 4.445 ( -3.089 2.447 0.791) 4.020 4.589 ( -0.406 -2.095 -1.066) 2.385 4.663 ( 4.285 1.643 -1.573) 4.852 4.684 ( -2.171 0.878 -2.659) 3.544 4.788 ( 3.217 -0.766 2.554) 4.178 4.853 ( -2.442 3.266 -3.879) 5.629 4.918 ( -5.358 1.687 -4.298) 7.073 4.996 ( -3.548 0.488 -0.356) 3.599 5.075 ( -0.188 -1.613 0.690) 1.764 5.168 ( -2.434 -0.990 4.287) 5.028 5.296 ( -2.766 -0.864 -1.405) 3.220 5.354 ( 0.744 1.235 2.729) 3.086 5.440 ( 0.689 1.207 -3.108) 3.404 5.464 ( -3.481 7.484 -0.918) 8.305 5.628 ( 0.364 -0.068 -1.161) 1.219 5.781 ( -0.101 -6.170 2.170) 6.542 5.911 ( -0.859 -1.714 -1.991) 2.764 5.940 ( 3.486 -1.188 -0.539) 3.722 6.177 ( -1.137 -4.817 -1.071) 5.064 6.358 ( -0.662 7.726 -1.542) 7.906 6.512 ( 2.852 3.819 2.892) 5.575 8.920 ( -2.454 1.278 0.706) 2.855 8.954 ( -2.565 0.656 0.888) 2.793 9.160 ( 1.545 2.478 0.563) 2.974 9.253 ( 0.996 2.470 -0.599) 2.730 9.665 ( 1.747 -2.986 0.195) 3.465 9.672 ( -0.080 -4.363 1.959) 4.783 9.838 ( -2.968 -2.916 1.980) 4.608 10.049 ( 0.648 -8.674 -1.136) 8.772 10.245 ( 0.778 -2.952 0.603) 3.112 10.502 ( -0.261 -3.015 -3.927) 4.957 10.864 ( -1.727 0.809 0.323) 1.934 11.124 ( 2.287 0.990 -1.006) 2.688 20.143 ( -0.185 -2.370 3.675) 4.377 20.320 ( 1.542 1.562 1.161) 2.483 20.367 ( -0.285 0.765 0.582) 1.002 20.463 ( -0.168 -2.232 -2.513) 3.366 20.964 ( 0.139 3.144 1.605) 3.533 21.058 ( -0.786 0.148 -0.843) 1.162 21.447 ( -7.747 10.467 -9.663) 16.216 21.930 ( -4.572 8.253 2.762) 9.831 22.052 ( -0.475 0.281 0.940) 1.090 22.133 ( 1.863 2.702 0.339) 3.300 22.247 ( -4.086 -3.857 -1.828) 5.909 22.299 ( -1.019 -10.141 0.399) 10.199 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 2.940 -1.933 -0.803) 3.609 0.880 ( 2.227 -2.009 -2.609) 3.975 0.923 ( 1.379 -2.122 -3.026) 3.945 0.958 ( 2.832 -3.790 1.968) 5.124 1.017 ( 1.506 -2.023 1.457) 2.912 1.085 ( 1.961 -1.881 -0.180) 2.723 1.190 ( -3.157 -1.224 -1.420) 3.672 1.334 ( -2.878 1.216 2.887) 4.254 1.343 ( -0.199 -2.407 -0.143) 2.419 1.390 ( 0.424 -0.579 1.580) 1.735 1.461 ( 0.905 -1.353 -0.724) 1.782 1.547 ( 3.974 0.199 1.447) 4.234 1.602 ( -0.257 -1.240 -2.689) 2.973 1.682 ( -0.671 -2.923 0.466) 3.035 1.774 ( -0.068 3.238 -0.196) 3.245 1.924 ( 1.110 4.373 1.478) 4.748 1.992 ( 0.599 6.212 -0.007) 6.241 2.065 ( -2.717 -1.737 0.685) 3.297 2.197 ( 1.788 1.709 0.711) 2.574 2.346 ( 3.790 -1.129 2.034) 4.447 2.476 ( 0.449 0.384 0.589) 0.834 2.505 ( -3.077 -3.696 -0.250) 4.816 2.608 ( -1.953 2.296 -1.452) 3.346 2.687 ( 0.809 3.100 -1.140) 3.400 2.746 ( 5.831 3.918 3.959) 8.064 2.781 ( -2.665 -1.789 -2.653) 4.164 2.872 ( 3.257 -0.352 3.456) 4.762 2.936 ( -2.411 -0.731 -1.490) 2.927 2.979 ( 0.542 0.495 0.714) 1.024 3.016 ( 0.090 1.992 -1.889) 2.747 3.182 ( 1.749 -2.976 3.873) 5.188 3.310 ( 0.737 2.272 -0.919) 2.559 3.359 ( -2.934 4.345 -0.061) 5.243 3.422 ( 2.812 1.396 0.510) 3.180 3.496 ( 3.035 -0.627 -2.084) 3.734 3.598 ( 2.204 1.798 -3.258) 4.325 3.658 ( 2.057 -2.365 2.000) 3.718 3.683 ( 2.053 0.339 0.655) 2.181 3.704 ( 2.032 1.649 -2.368) 3.529 3.794 ( -2.594 1.149 5.200) 5.923 3.916 ( 0.359 -1.902 0.971) 2.165 3.966 ( 0.614 -1.236 4.182) 4.404 4.111 ( 1.356 1.845 1.633) 2.813 4.167 ( -0.493 -0.591 -0.107) 0.777 4.263 ( 1.797 0.826 0.112) 1.981 4.346 ( -4.870 2.924 -3.398) 6.619 4.581 ( -1.192 3.753 -1.188) 4.113 4.597 ( 0.295 0.550 -2.276) 2.360 4.695 ( -2.103 0.370 -1.231) 2.465 4.775 ( 1.410 1.343 -4.795) 5.176 4.837 ( 1.198 0.477 -2.416) 2.739 4.858 ( -1.010 -3.251 -1.586) 3.755 4.961 ( -0.683 1.324 0.275) 1.515 5.099 ( 1.192 -0.019 -0.729) 1.398 5.200 ( -1.264 -0.716 1.940) 2.423 5.261 ( 0.079 6.871 6.880) 9.724 5.294 ( -0.109 0.188 -4.804) 4.809 5.357 ( -2.853 2.874 0.395) 4.069 5.444 ( 0.800 -1.369 -0.892) 1.819 5.667 ( -0.100 -4.697 0.567) 4.732 5.838 ( -1.595 -1.593 1.781) 2.873 5.924 ( 1.236 0.161 -1.381) 1.860 6.012 ( 0.924 -2.577 1.331) 3.044 6.202 ( -1.167 6.773 -0.612) 6.900 6.252 ( -0.704 -5.346 -2.567) 5.972 6.459 ( 1.948 5.357 1.796) 5.976 8.886 ( -1.792 0.599 0.448) 1.942 8.934 ( -1.485 0.153 0.763) 1.676 9.113 ( 0.516 3.858 0.360) 3.909 9.223 ( 1.836 1.930 -1.528) 3.071 9.733 ( 1.325 -3.228 1.901) 3.973 9.771 ( -0.440 -5.878 0.176) 5.897 9.876 ( -3.997 -2.799 2.715) 5.584 10.122 ( -0.139 -0.704 -1.846) 1.980 10.394 ( 2.836 -11.293 0.522) 11.655 10.568 ( -0.562 -6.320 -2.051) 6.668 10.830 ( -1.466 1.995 1.256) 2.776 11.108 ( 1.479 2.023 -1.623) 2.986 20.208 ( -0.539 -3.564 2.902) 4.627 20.279 ( -0.467 3.013 2.499) 3.942 20.373 ( 0.159 0.264 0.089) 0.321 20.508 ( 1.467 -2.844 -0.017) 3.200 20.911 ( -0.987 3.491 -1.837) 4.066 21.037 ( -1.013 -0.158 -1.714) 1.998 21.221 ( -0.422 6.433 -5.608) 8.544 21.714 ( -3.407 13.399 0.585) 13.838 22.047 ( -0.031 0.663 0.683) 0.953 22.102 ( 1.054 2.282 -0.068) 2.514 22.303 ( -2.287 -5.758 -0.109) 6.196 22.460 ( -1.215 -9.150 -0.278) 9.234 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.218 3.092 3.273) 4.508 0.904 ( -0.090 -1.234 -3.478) 3.691 0.950 ( 2.143 -1.600 -3.673) 4.544 1.027 ( 3.192 2.185 1.084) 4.017 1.080 ( 1.385 -4.751 -1.480) 5.165 1.125 ( 0.982 0.629 1.953) 2.275 1.216 ( -2.512 -3.735 -1.079) 4.628 1.306 ( -1.305 -1.747 1.446) 2.617 1.384 ( -2.993 0.251 -1.138) 3.212 1.406 ( -0.168 -3.933 0.251) 3.944 1.478 ( 2.030 -0.437 -1.901) 2.815 1.560 ( 1.820 -0.474 0.092) 1.883 1.667 ( 0.824 -4.716 1.150) 4.924 1.697 ( 0.799 4.207 0.267) 4.290 1.761 ( -0.390 -3.817 2.399) 4.525 1.821 ( -2.122 6.300 0.980) 6.719 1.894 ( 3.034 6.603 -1.731) 7.470 2.079 ( -1.285 -0.908 4.417) 4.689 2.153 ( -3.433 2.738 -2.017) 4.832 2.385 ( 2.524 3.626 1.625) 4.708 2.447 ( 0.730 2.391 -2.206) 3.334 2.519 ( -3.930 -1.860 1.725) 4.678 2.552 ( 0.511 0.191 -0.779) 0.951 2.599 ( 1.445 5.504 0.703) 5.734 2.756 ( -0.400 0.436 -2.679) 2.743 2.799 ( 3.754 -0.146 2.966) 4.787 2.883 ( -4.004 3.243 -1.226) 5.296 2.948 ( -1.274 0.067 5.588) 5.732 3.013 ( 1.754 -4.266 1.799) 4.951 3.031 ( -0.663 -3.650 0.733) 3.781 3.205 ( -0.267 1.146 0.994) 1.540 3.288 ( 3.875 3.141 1.891) 5.335 3.313 ( -2.316 -0.788 1.705) 2.982 3.371 ( -1.803 2.714 0.724) 3.338 3.496 ( 2.888 2.695 1.566) 4.249 3.594 ( 1.728 -1.107 -4.978) 5.384 3.627 ( 2.501 4.287 -4.120) 6.451 3.697 ( -4.701 -0.946 2.923) 5.616 3.719 ( 2.225 0.063 -1.949) 2.958 3.780 ( -0.568 0.936 3.320) 3.496 3.932 ( -2.690 -0.523 3.961) 4.816 4.042 ( 2.924 -1.722 1.284) 3.628 4.119 ( 1.501 -1.313 0.672) 2.105 4.159 ( -1.025 5.580 -2.486) 6.194 4.188 ( 0.173 -2.394 -1.232) 2.697 4.319 ( -0.046 -1.535 -2.351) 2.809 4.491 ( -0.225 5.120 -1.110) 5.243 4.601 ( 2.378 -0.291 -1.751) 2.967 4.648 ( -2.868 1.742 -0.345) 3.373 4.730 ( -2.747 1.561 -3.699) 4.864 4.816 ( -0.605 -1.625 -6.301) 6.536 4.933 ( 1.064 -1.912 -2.456) 3.290 4.986 ( 6.524 -2.127 3.491) 7.699 5.093 ( 2.296 0.530 -1.539) 2.815 5.122 ( -1.385 4.930 4.057) 6.533 5.241 ( -3.844 0.222 -0.212) 3.856 5.269 ( -0.436 3.507 0.531) 3.574 5.319 ( 2.248 -1.861 -4.061) 5.001 5.479 ( -0.187 -1.872 2.254) 2.936 5.751 ( 0.803 -1.731 2.602) 3.227 5.842 ( -4.079 -0.266 1.750) 4.446 5.920 ( 1.068 0.078 -0.330) 1.121 6.009 ( -0.512 -0.189 -1.972) 2.046 6.157 ( -1.310 -0.973 1.053) 1.943 6.289 ( -0.188 2.309 1.591) 2.810 6.426 ( 3.130 -0.964 -2.210) 3.951 8.883 ( -0.623 -1.065 0.687) 1.412 8.930 ( -1.051 -0.544 0.533) 1.298 9.055 ( -0.049 3.104 0.249) 3.114 9.198 ( 1.299 1.531 -2.499) 3.206 9.788 ( -0.719 -0.186 2.844) 2.939 9.851 ( -1.624 -4.240 1.422) 4.758 9.916 ( -0.132 -4.514 0.509) 4.544 10.093 ( -0.498 2.227 -2.655) 3.501 10.611 ( 2.302 -9.872 0.313) 10.142 10.654 ( 0.290 -2.758 0.486) 2.815 10.797 ( -1.178 0.233 1.837) 2.195 11.065 ( 0.686 2.729 -2.780) 3.955 20.239 ( 0.132 0.755 1.184) 1.411 20.291 ( -1.250 -3.466 3.650) 5.186 20.349 ( -0.193 2.182 -0.602) 2.271 20.567 ( 1.584 -1.880 1.038) 2.669 20.823 ( -1.134 2.922 -2.698) 4.135 21.035 ( 0.335 0.360 -1.437) 1.519 21.184 ( 2.179 -2.579 -2.491) 4.196 21.453 ( -2.960 12.934 -0.335) 13.272 22.038 ( 0.080 0.522 0.391) 0.657 22.075 ( 0.481 1.508 -0.318) 1.615 22.381 ( -0.884 -3.942 1.766) 4.409 22.584 ( -0.349 -6.704 -1.602) 6.901 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.663 3.900 4.319) 5.857 0.879 ( -1.965 1.659 -2.234) 3.406 0.925 ( 0.645 8.511 -1.085) 8.604 0.996 ( 2.091 0.096 0.615) 2.182 1.085 ( -0.888 1.774 0.157) 1.990 1.151 ( 2.280 -1.269 -1.643) 3.083 1.247 ( -0.667 -1.335 -1.333) 2.001 1.296 ( -0.333 1.314 -2.100) 2.499 1.419 ( 1.798 -3.720 3.250) 5.257 1.477 ( 0.778 -0.745 -0.375) 1.140 1.497 ( -0.352 -1.762 -1.051) 2.081 1.581 ( -0.813 -0.304 1.151) 1.442 1.640 ( 1.103 0.991 0.160) 1.491 1.693 ( -1.557 4.926 0.712) 5.216 1.765 ( 2.726 -0.701 -0.961) 2.974 1.804 ( 0.830 1.466 -0.708) 1.827 1.860 ( -1.450 -4.701 2.415) 5.480 1.996 ( -1.662 9.272 -1.967) 9.623 2.147 ( -3.726 -4.938 4.074) 7.407 2.305 ( 0.361 5.985 3.168) 6.781 2.399 ( 2.265 2.920 -0.247) 3.703 2.522 ( -3.360 -0.901 -0.519) 3.517 2.563 ( -0.327 -1.059 1.470) 1.841 2.592 ( 3.030 -0.643 -2.423) 3.933 2.727 ( -0.867 1.876 -1.297) 2.440 2.757 ( -5.394 3.486 -3.951) 7.540 2.852 ( 3.104 -1.503 6.066) 6.978 2.946 ( -1.521 0.667 3.406) 3.789 3.039 ( -2.934 0.135 0.988) 3.099 3.128 ( 0.440 -5.102 0.327) 5.131 3.225 ( 0.637 -0.377 1.488) 1.662 3.253 ( 0.559 2.804 4.004) 4.920 3.273 ( 1.283 2.250 -1.137) 2.829 3.400 ( -1.509 -1.305 2.752) 3.399 3.468 ( 0.622 2.053 2.698) 3.447 3.551 ( 3.481 4.403 -2.867) 6.303 3.609 ( 0.972 -1.809 -5.384) 5.763 3.674 ( -3.463 -0.260 1.671) 3.854 3.711 ( -1.005 0.297 -2.276) 2.505 3.771 ( 2.304 2.251 0.898) 3.344 3.915 ( -5.685 -0.080 0.082) 5.686 4.027 ( 0.414 3.700 -1.318) 3.949 4.096 ( 2.461 -0.167 -0.756) 2.580 4.215 ( 1.497 -4.592 2.809) 5.587 4.263 ( 1.219 -4.221 1.932) 4.799 4.349 ( 3.196 -1.414 -2.712) 4.424 4.416 ( 1.715 3.146 -1.531) 3.897 4.554 ( -5.474 1.869 -2.504) 6.303 4.629 ( 1.399 0.244 -2.929) 3.255 4.685 ( 0.558 0.072 -0.072) 0.567 4.812 ( -1.071 -0.254 -1.605) 1.946 4.941 ( 2.075 -0.298 -3.525) 4.101 5.054 ( 1.231 2.027 3.743) 4.431 5.104 ( 2.406 -1.402 -0.370) 2.809 5.140 ( 1.229 -0.901 0.693) 1.674 5.188 ( -0.550 -1.144 1.961) 2.336 5.251 ( -2.140 -1.889 -1.544) 3.246 5.333 ( 1.662 -0.568 -6.691) 6.918 5.522 ( -1.329 -2.570 2.567) 3.868 5.713 ( -1.423 3.036 -1.928) 3.868 5.847 ( -2.888 -0.114 6.799) 7.388 5.947 ( -1.090 -2.655 0.487) 2.911 6.011 ( 3.195 2.010 -0.166) 3.778 6.189 ( -2.332 -4.092 -1.028) 4.821 6.217 ( -0.552 4.613 2.974) 5.517 6.479 ( 4.207 -1.673 -4.573) 6.435 8.915 ( 0.078 -2.385 0.955) 2.571 8.941 ( -0.909 -1.384 0.487) 1.726 9.014 ( -0.270 1.518 0.333) 1.577 9.171 ( 0.614 0.982 -3.214) 3.416 9.757 ( -1.020 3.269 3.014) 4.562 9.915 ( -1.983 -3.491 2.398) 4.676 10.008 ( -0.830 -2.317 -1.404) 2.833 10.028 ( 0.849 0.460 -1.757) 2.005 10.615 ( 0.503 6.131 2.174) 6.524 10.761 ( 2.773 -3.621 0.697) 4.614 10.840 ( -1.306 -4.182 0.780) 4.450 11.010 ( 0.262 1.882 -4.333) 4.731 20.244 ( -0.184 -0.871 0.136) 0.900 20.293 ( -0.877 3.647 1.185) 3.934 20.354 ( -0.406 -2.920 1.325) 3.232 20.597 ( 1.078 -0.403 -1.283) 1.723 20.803 ( 1.400 0.031 3.663) 3.921 21.020 ( 0.511 0.758 -0.859) 1.254 21.176 ( 0.300 6.754 -1.389) 6.902 21.359 ( -1.437 -7.716 -1.370) 7.968 22.035 ( 0.031 0.166 0.066) 0.181 22.057 ( 0.386 0.526 -0.402) 0.766 22.429 ( -0.297 -0.930 2.875) 3.036 22.663 ( -0.072 -3.648 -2.919) 4.673 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 2.101 5.913 4.837) 7.923 0.756 ( 3.349 9.298 1.669) 10.023 0.818 ( 0.947 5.764 0.778) 5.893 1.004 ( 0.567 0.439 -0.156) 0.734 1.072 ( 0.548 -0.922 -3.134) 3.313 1.147 ( -0.148 1.829 -2.696) 3.261 1.232 ( 0.006 3.854 -1.657) 4.195 1.272 ( 2.102 0.587 -0.213) 2.193 1.443 ( -0.584 3.223 2.870) 4.355 1.466 ( -0.146 1.411 0.037) 1.419 1.518 ( -2.381 1.179 -1.262) 2.941 1.557 ( 2.668 0.670 4.123) 4.957 1.617 ( -0.075 2.632 -1.374) 2.970 1.642 ( -2.477 3.709 -1.895) 4.846 1.729 ( 2.641 0.458 -0.356) 2.705 1.793 ( -0.443 1.862 0.015) 1.914 1.935 ( 2.111 -3.889 3.549) 5.672 1.950 ( -1.838 -5.089 2.078) 5.796 2.197 ( -3.155 -2.311 -0.233) 3.918 2.268 ( 2.722 1.056 3.352) 4.445 2.378 ( -0.851 2.096 2.708) 3.529 2.509 ( -1.697 -1.919 -2.593) 3.644 2.598 ( 0.149 -2.461 -2.254) 3.340 2.605 ( 0.865 -0.928 -0.985) 1.606 2.666 ( -2.036 0.181 -1.817) 2.735 2.688 ( 2.381 2.550 -2.249) 4.151 2.926 ( -0.978 -0.915 3.020) 3.304 2.933 ( -1.396 1.750 2.466) 3.331 3.051 ( 1.206 -4.339 2.998) 5.411 3.145 ( -2.960 2.996 -2.448) 4.871 3.209 ( 0.982 0.783 1.506) 1.962 3.254 ( 4.617 2.743 1.355) 5.539 3.268 ( -2.043 -1.237 0.668) 2.480 3.404 ( -0.448 -1.783 1.941) 2.674 3.453 ( 2.948 3.392 0.002) 4.494 3.529 ( 0.230 0.014 0.343) 0.413 3.622 ( -2.569 -1.879 -4.079) 5.173 3.668 ( -2.040 -0.652 -3.571) 4.164 3.687 ( -0.008 0.253 3.543) 3.552 3.776 ( 4.744 0.103 -0.595) 4.782 3.854 ( -1.779 1.410 -5.120) 5.600 3.977 ( -1.681 1.324 1.979) 2.915 4.123 ( 1.398 -0.839 -0.366) 1.672 4.253 ( -4.195 4.181 -6.743) 8.975 4.312 ( 1.786 -0.679 2.722) 3.325 4.349 ( 2.821 1.066 2.177) 3.719 4.414 ( -1.627 -2.432 1.083) 3.119 4.578 ( 3.004 -6.046 -1.923) 7.019 4.617 ( 0.758 -1.055 -1.831) 2.245 4.739 ( 4.261 -2.911 1.963) 5.522 4.789 ( -1.804 1.407 2.304) 3.247 4.954 ( 1.820 -0.688 -2.207) 2.942 5.057 ( 0.669 -0.225 1.549) 1.702 5.079 ( -3.759 1.533 1.723) 4.410 5.160 ( 0.415 -2.050 -4.122) 4.622 5.238 ( -0.963 -1.692 0.175) 1.955 5.283 ( -2.254 -1.794 0.697) 2.964 5.358 ( 3.791 -4.922 -4.931) 7.932 5.554 ( -2.666 -1.304 0.694) 3.048 5.673 ( 0.173 -0.334 -2.204) 2.236 5.835 ( -2.696 1.814 7.251) 7.946 5.965 ( -0.894 1.722 1.467) 2.433 5.982 ( 2.074 3.609 1.110) 4.308 6.155 ( 0.971 1.326 1.873) 2.492 6.274 ( -1.538 -6.375 -1.696) 6.774 6.484 ( 3.039 1.840 -6.456) 7.369 8.955 ( -2.028 -1.319 0.120) 2.422 8.969 ( -0.138 -2.983 1.713) 3.443 9.011 ( 0.281 -1.113 0.342) 1.197 9.151 ( 0.845 0.079 -3.053) 3.169 9.705 ( 0.162 3.989 3.252) 5.149 9.906 ( -1.921 4.280 -2.984) 5.560 9.964 ( -2.304 -0.651 2.863) 3.733 10.105 ( -0.072 -3.640 0.350) 3.658 10.498 ( 0.978 9.198 2.365) 9.547 10.777 ( 2.762 3.686 -4.460) 6.411 10.887 ( -2.337 -2.880 0.250) 3.717 10.990 ( 1.250 -0.791 -2.124) 2.589 20.218 ( 0.175 4.976 2.677) 5.653 20.267 ( -1.717 -2.275 -0.778) 2.955 20.389 ( -0.422 -1.078 -0.054) 1.159 20.585 ( 0.646 1.225 -5.399) 5.574 20.834 ( 0.624 0.666 6.367) 6.432 21.000 ( 0.103 1.165 0.585) 1.308 21.188 ( 6.150 -5.989 8.447) 12.044 21.510 ( -4.536 -12.760 -5.717) 14.699 22.030 ( 0.036 0.182 0.298) 0.351 22.064 ( 0.424 -0.869 -0.667) 1.175 22.435 ( -0.162 1.625 3.439) 3.807 22.668 ( -1.719 0.706 -4.508) 4.876 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 6.832 0.000 -5.053) 8.498 0.793 ( 5.463 0.000 3.117) 6.289 0.869 ( 0.024 0.000 -0.569) 0.569 0.939 ( 2.758 0.000 2.452) 3.690 0.979 ( 1.289 0.000 5.654) 5.799 1.013 ( -1.143 -0.000 -4.758) 4.893 1.196 ( -5.455 -0.000 -1.163) 5.577 1.280 ( -1.222 -0.000 2.356) 2.654 1.365 ( -0.126 -0.000 1.354) 1.360 1.380 ( 6.483 0.000 2.483) 6.942 1.526 ( -2.344 -0.000 0.410) 2.380 1.546 ( 0.922 0.000 -2.000) 2.202 1.580 ( 4.933 0.000 0.053) 4.934 1.610 ( -5.625 -0.000 -1.393) 5.795 1.857 ( 3.867 0.000 -4.057) 5.605 1.940 ( -1.742 -0.000 -3.010) 3.478 2.021 ( 2.483 0.000 4.801) 5.405 2.132 ( 2.005 0.000 -0.936) 2.213 2.243 ( 2.574 0.000 3.071) 4.007 2.324 ( 1.212 0.000 1.749) 2.128 2.393 ( -1.688 -0.000 -0.721) 1.835 2.489 ( -2.241 -0.000 0.472) 2.290 2.533 ( -0.181 -0.000 2.365) 2.372 2.721 ( -0.355 -0.000 1.969) 2.001 2.744 ( -2.877 -0.000 -9.412) 9.842 2.837 ( 2.609 0.000 1.913) 3.235 2.908 ( 0.362 0.000 -6.682) 6.691 2.960 ( 2.132 0.000 5.452) 5.854 3.037 ( -4.833 -0.000 0.320) 4.844 3.044 ( 1.311 0.000 5.399) 5.556 3.179 ( 2.892 0.000 -0.885) 3.025 3.327 ( 3.263 0.000 -4.039) 5.193 3.429 ( 3.317 0.000 1.326) 3.572 3.477 ( 6.486 0.000 -7.014) 9.553 3.489 ( -3.852 -0.000 -0.011) 3.852 3.499 ( 8.881 0.000 1.877) 9.077 3.662 ( 6.205 0.000 3.798) 7.275 3.698 ( 1.326 0.000 -1.220) 1.802 3.789 ( -1.948 -0.000 0.997) 2.188 3.815 ( -1.644 -0.000 2.271) 2.803 3.873 ( 5.419 0.000 -0.833) 5.482 3.967 ( -7.205 -0.000 8.352) 11.030 4.137 ( -1.873 -0.000 -0.713) 2.005 4.176 ( 1.722 0.000 2.616) 3.132 4.226 ( 5.241 0.000 -1.735) 5.521 4.465 ( -3.174 -0.000 3.817) 4.964 4.535 ( -3.306 -0.000 -3.512) 4.823 4.627 ( 1.328 0.000 -6.291) 6.429 4.703 ( -1.371 -0.000 -3.865) 4.101 4.829 ( -1.480 -0.000 2.109) 2.577 4.840 ( -5.503 -0.000 -1.379) 5.674 4.890 ( 4.108 0.000 -1.536) 4.386 4.994 ( -1.791 -0.000 1.336) 2.235 5.053 ( 0.091 0.000 -0.022) 0.094 5.153 ( -1.299 -0.000 1.468) 1.961 5.237 ( -5.127 -0.000 -0.712) 5.176 5.350 ( 0.728 0.000 0.273) 0.777 5.434 ( 1.369 0.000 -3.798) 4.037 5.605 ( -1.263 -0.000 -0.162) 1.274 5.652 ( 1.015 0.000 -0.181) 1.031 5.659 ( -1.202 -0.000 2.150) 2.463 5.865 ( -0.455 -0.000 -1.176) 1.261 5.955 ( 3.583 0.000 -0.998) 3.720 6.129 ( -1.677 -0.000 0.717) 1.824 6.436 ( 0.603 0.000 0.774) 0.981 6.576 ( 1.629 0.000 2.054) 2.621 8.920 ( -1.979 -0.000 0.752) 2.117 8.944 ( -2.000 -0.000 0.446) 2.049 9.197 ( 1.277 0.000 0.401) 1.339 9.276 ( -0.026 -0.000 -0.747) 0.747 9.620 ( 0.218 0.000 1.027) 1.050 9.669 ( 0.342 0.000 2.341) 2.366 9.819 ( -0.543 -0.000 -0.460) 0.711 9.939 ( 0.148 0.000 -0.592) 0.610 10.232 ( 0.292 0.000 0.619) 0.684 10.463 ( 0.407 0.000 -3.232) 3.257 10.864 ( -0.841 -0.000 1.253) 1.509 11.142 ( 1.660 0.000 -1.675) 2.358 20.138 ( -0.504 -0.000 4.339) 4.368 20.359 ( 2.075 0.000 2.276) 3.080 20.391 ( -0.460 -0.000 1.162) 1.250 20.416 ( -0.039 -0.000 -0.977) 0.978 20.998 ( -1.740 -0.000 -0.673) 1.865 21.039 ( 0.049 0.000 -2.568) 2.568 21.463 ( -4.240 -0.000 -7.892) 8.959 21.953 ( -5.704 -0.000 -0.979) 5.788 22.057 ( -0.948 -0.000 1.968) 2.184 22.155 ( -0.320 -0.000 0.037) 0.322 22.184 ( -0.479 -0.000 -1.818) 1.880 22.205 ( -0.376 -0.000 -0.247) 0.450 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 4.830 -0.289 -3.870) 6.196 0.859 ( 3.139 -2.312 -0.215) 3.905 0.874 ( -1.582 -1.886 -1.148) 2.716 0.946 ( -2.688 0.062 -0.071) 2.690 0.995 ( -3.664 -3.881 -2.363) 5.838 1.045 ( 4.537 -0.156 3.301) 5.613 1.176 ( 0.196 -0.297 1.695) 1.732 1.309 ( -0.243 -2.095 3.677) 4.239 1.354 ( -0.386 1.654 1.563) 2.309 1.430 ( 1.058 3.962 0.146) 4.104 1.449 ( -0.731 -1.259 0.011) 1.456 1.574 ( 0.250 -0.156 1.169) 1.206 1.589 ( 1.554 -1.078 -3.516) 3.993 1.620 ( -0.146 -2.208 -0.020) 2.213 1.829 ( 1.613 2.766 -2.379) 3.989 1.926 ( -3.565 -1.751 -3.290) 5.158 2.057 ( 2.922 1.135 3.622) 4.790 2.108 ( 1.035 4.929 1.368) 5.219 2.250 ( 0.969 1.708 1.089) 2.246 2.351 ( 0.494 -2.041 1.308) 2.474 2.414 ( -2.171 -3.220 -1.182) 4.059 2.494 ( 0.163 -0.328 1.944) 1.978 2.566 ( -0.194 -1.455 -0.133) 1.473 2.685 ( -1.933 -2.139 -3.266) 4.356 2.728 ( -2.001 -0.696 -0.176) 2.126 2.871 ( 4.681 2.336 0.899) 5.308 2.893 ( 3.475 -0.564 -1.219) 3.726 2.942 ( -3.412 4.476 2.338) 6.095 3.003 ( 1.533 0.409 4.380) 4.659 3.113 ( 2.132 2.467 2.092) 3.874 3.141 ( 0.270 0.089 1.146) 1.180 3.356 ( 3.079 0.041 -2.170) 3.767 3.400 ( -2.388 2.515 -2.468) 4.257 3.445 ( 1.274 0.875 0.448) 1.609 3.505 ( 2.946 -1.093 -2.397) 3.952 3.628 ( 6.840 -1.393 -2.623) 7.457 3.665 ( 0.857 1.930 -0.782) 2.252 3.707 ( 1.549 0.580 2.902) 3.340 3.750 ( -0.455 2.084 -0.193) 2.142 3.809 ( -2.518 1.220 4.251) 5.090 3.907 ( -0.092 -0.174 2.890) 2.897 3.970 ( -1.327 -1.351 7.987) 8.208 4.113 ( -3.380 -1.075 -3.175) 4.760 4.175 ( -0.343 1.846 1.257) 2.260 4.276 ( 4.479 -1.350 -2.734) 5.418 4.372 ( -3.428 5.691 -0.304) 6.650 4.549 ( -2.575 -2.320 -0.034) 3.466 4.644 ( 1.386 -2.333 -6.537) 7.077 4.660 ( 1.300 2.458 -3.273) 4.294 4.744 ( -3.432 0.592 -3.578) 4.993 4.824 ( -3.277 -0.086 1.948) 3.813 4.906 ( 1.689 5.471 -0.930) 5.801 4.964 ( 1.694 -1.041 0.314) 2.013 5.086 ( 0.727 -2.131 -1.116) 2.513 5.172 ( -0.277 -1.843 1.394) 2.328 5.226 ( -2.939 -2.455 -1.770) 4.219 5.362 ( -1.224 1.561 -0.870) 2.166 5.432 ( 1.935 0.139 -1.095) 2.228 5.461 ( 0.703 7.400 5.062) 8.993 5.644 ( 1.494 1.369 1.119) 2.315 5.756 ( -2.282 -6.501 -2.916) 7.481 5.895 ( 0.322 -1.552 -0.351) 1.623 6.001 ( 2.416 -1.933 2.324) 3.870 6.142 ( -1.242 -3.320 -1.369) 3.800 6.367 ( 1.437 8.298 2.077) 8.674 6.556 ( -0.120 3.798 1.440) 4.063 8.894 ( -1.269 1.330 0.519) 1.910 8.929 ( -1.179 0.275 0.177) 1.223 9.179 ( 0.169 2.956 0.207) 2.968 9.257 ( 0.526 1.526 -1.357) 2.109 9.676 ( -0.293 -4.640 1.238) 4.811 9.702 ( 0.819 -2.565 1.643) 3.154 9.807 ( -2.323 -1.655 1.237) 3.109 10.040 ( 0.138 -7.686 -2.618) 8.121 10.268 ( 0.522 -4.690 1.618) 4.989 10.480 ( 1.174 -2.918 -2.326) 3.912 10.859 ( -0.173 1.112 2.287) 2.549 11.135 ( 0.854 1.059 -2.273) 2.649 20.171 ( -0.782 -1.980 4.620) 5.086 20.344 ( -0.781 2.959 1.429) 3.378 20.373 ( -0.183 0.151 0.799) 0.834 20.479 ( 2.620 -2.846 3.347) 5.116 20.941 ( -2.522 2.787 -5.175) 6.396 21.018 ( -0.394 0.937 -3.297) 3.450 21.350 ( 3.553 7.490 -2.853) 8.767 21.837 ( -5.734 6.475 -4.459) 9.731 22.058 ( -0.353 0.188 1.750) 1.795 22.157 ( 0.597 2.670 -0.485) 2.779 22.194 ( -0.824 -4.615 -0.159) 4.691 22.283 ( -0.655 -8.978 -0.715) 9.030 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 1.156 -1.480 -0.340) 1.909 0.878 ( -3.431 0.407 -1.263) 3.679 0.907 ( 2.471 -2.710 -2.678) 4.541 0.972 ( 0.441 -6.859 -1.274) 6.990 1.032 ( -4.061 -5.140 -0.348) 6.560 1.088 ( 3.034 0.405 -0.141) 3.064 1.206 ( 2.921 -0.150 2.298) 3.719 1.308 ( -1.962 0.841 1.588) 2.661 1.351 ( 1.194 -0.100 -0.124) 1.204 1.393 ( -2.209 1.903 1.569) 3.311 1.466 ( 0.279 -1.789 -0.611) 1.911 1.566 ( -0.667 -0.307 -1.855) 1.995 1.627 ( 2.872 -1.194 1.001) 3.267 1.679 ( 0.198 -4.870 1.078) 4.992 1.784 ( 0.630 3.450 0.686) 3.573 1.887 ( -4.500 1.687 -1.840) 5.146 2.017 ( -0.723 5.195 0.673) 5.288 2.064 ( 1.949 2.086 2.845) 4.030 2.202 ( -0.437 4.033 -0.511) 4.089 2.407 ( -2.476 -3.168 0.965) 4.135 2.427 ( -0.533 -0.680 -1.913) 2.099 2.494 ( -0.876 0.391 1.462) 1.748 2.555 ( -0.379 -0.477 -4.120) 4.165 2.702 ( 1.211 2.555 -2.007) 3.467 2.746 ( 0.831 -0.516 2.401) 2.593 2.839 ( -1.058 1.913 3.994) 4.553 2.892 ( -0.535 -0.287 0.535) 0.809 2.959 ( 0.866 0.276 3.190) 3.317 3.003 ( 3.083 1.531 2.193) 4.082 3.050 ( 2.104 2.282 1.026) 3.269 3.198 ( -0.565 -0.901 1.526) 1.860 3.295 ( -2.342 0.890 3.201) 4.065 3.396 ( 3.794 2.841 -0.322) 4.751 3.422 ( -1.388 2.340 -0.027) 2.721 3.535 ( 3.479 -0.498 -2.031) 4.059 3.572 ( -0.735 1.395 -3.203) 3.570 3.659 ( -4.972 1.865 2.259) 5.771 3.708 ( 1.102 3.556 -1.150) 3.897 3.758 ( 5.771 0.097 0.604) 5.803 3.782 ( -2.535 -0.761 2.665) 3.756 3.908 ( -4.711 -0.318 3.091) 5.643 4.046 ( 1.760 -2.636 5.557) 6.398 4.099 ( -1.400 -1.920 -3.562) 4.281 4.126 ( -3.928 1.581 -0.657) 4.285 4.259 ( -0.055 4.182 -1.410) 4.413 4.307 ( 4.390 0.425 -2.668) 5.154 4.561 ( 0.119 0.491 0.067) 0.509 4.584 ( -1.433 2.043 -1.100) 2.727 4.675 ( 2.675 0.744 -2.890) 4.008 4.697 ( -1.820 -0.150 -7.229) 7.456 4.796 ( -1.990 3.165 -3.812) 5.340 4.871 ( 1.205 -3.296 1.377) 3.770 5.019 ( 4.324 -1.962 1.395) 4.949 5.100 ( -0.232 -0.269 -2.940) 2.962 5.193 ( -0.512 0.488 0.846) 1.103 5.221 ( -2.039 1.658 0.235) 2.639 5.285 ( 0.982 1.273 -2.924) 3.337 5.386 ( 0.366 6.295 3.164) 7.055 5.474 ( 1.598 -1.034 4.447) 4.838 5.692 ( 1.240 -4.447 2.555) 5.276 5.808 ( -2.383 -2.080 -1.450) 3.480 5.909 ( -0.298 -2.418 -3.022) 3.882 6.004 ( -1.977 2.667 0.287) 3.332 6.177 ( 0.965 0.932 -2.277) 2.643 6.306 ( 3.846 0.431 4.958) 6.289 6.475 ( -1.238 4.511 0.398) 4.695 8.876 ( -0.077 0.252 0.766) 0.810 8.919 ( -0.751 -0.003 0.004) 0.751 9.115 ( -0.498 3.900 0.148) 3.934 9.223 ( 0.341 1.908 -2.292) 3.002 9.750 ( -1.758 -4.435 1.935) 5.148 9.780 ( 1.520 -3.702 0.853) 4.092 9.844 ( -2.183 -3.608 1.805) 4.588 10.091 ( -0.239 -0.648 -3.818) 3.880 10.435 ( -0.195 -11.653 1.882) 11.805 10.568 ( 2.718 -6.403 -0.592) 6.981 10.842 ( 0.422 2.456 3.063) 3.949 11.099 ( -0.035 2.230 -3.081) 3.803 20.229 ( -0.703 -2.968 4.224) 5.210 20.297 ( -0.747 3.107 3.369) 4.644 20.365 ( -0.469 0.269 -0.761) 0.934 20.561 ( 2.348 -1.979 4.117) 5.136 20.833 ( -2.202 2.741 -7.512) 8.294 20.996 ( -0.045 -0.828 -4.436) 4.513 21.276 ( 6.892 6.352 2.653) 9.741 21.614 ( -5.230 10.781 -6.196) 13.490 22.054 ( -0.113 0.828 1.161) 1.431 22.110 ( 0.077 2.375 -0.120) 2.379 22.299 ( 0.894 -6.040 1.542) 6.298 22.432 ( -0.712 -9.333 -1.903) 9.551 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -1.795 2.094 1.162) 2.993 0.849 ( -1.574 -1.214 -0.707) 2.110 0.963 ( 2.483 -1.878 -2.764) 4.163 1.048 ( -4.214 1.581 -1.193) 4.656 1.078 ( -0.568 -1.157 0.647) 1.442 1.118 ( 2.948 -5.131 -0.254) 5.923 1.247 ( 3.126 0.667 1.303) 3.452 1.301 ( -0.435 0.305 -0.495) 0.726 1.349 ( 0.777 -3.960 -0.225) 4.042 1.397 ( -0.834 -3.669 -0.795) 3.845 1.500 ( 1.819 -0.485 -0.698) 2.008 1.561 ( -0.607 -0.613 -1.318) 1.576 1.705 ( 0.135 -5.481 1.737) 5.751 1.722 ( 0.808 4.119 1.551) 4.475 1.774 ( -1.125 -0.890 2.234) 2.655 1.786 ( -0.674 2.543 1.384) 2.972 1.921 ( -0.145 6.797 -0.228) 6.803 2.026 ( -5.652 1.707 -2.393) 6.371 2.141 ( 2.425 2.652 1.715) 3.982 2.404 ( -3.065 -1.036 -0.724) 3.315 2.408 ( -1.122 3.791 0.206) 3.959 2.492 ( -0.332 -2.066 0.501) 2.151 2.565 ( 0.147 -0.101 -0.547) 0.575 2.650 ( 3.120 4.520 1.399) 5.668 2.731 ( -1.135 0.624 -2.278) 2.621 2.765 ( -4.563 5.372 1.161) 7.143 2.895 ( 2.000 0.046 2.993) 3.600 2.970 ( 0.224 1.364 3.408) 3.677 3.033 ( -0.741 -0.654 2.113) 2.333 3.072 ( 0.712 -1.932 2.212) 3.022 3.182 ( -0.687 -0.735 -1.696) 1.972 3.322 ( -1.796 1.587 5.666) 6.152 3.347 ( 1.918 1.269 0.479) 2.349 3.394 ( 1.844 2.207 1.025) 3.053 3.535 ( -3.423 2.340 1.035) 4.273 3.561 ( 2.747 -0.195 -1.453) 3.114 3.594 ( -5.165 -1.157 -0.581) 5.324 3.641 ( 1.702 4.071 -1.377) 4.622 3.769 ( 1.296 1.431 1.052) 2.198 3.812 ( 2.068 -0.705 -0.311) 2.207 3.854 ( -6.511 1.652 -1.083) 6.805 4.073 ( -2.672 -0.861 2.336) 3.652 4.102 ( 1.215 0.362 -2.299) 2.625 4.155 ( 2.292 -3.433 1.867) 4.531 4.225 ( -0.501 -1.121 -0.836) 1.485 4.338 ( 6.206 -0.974 -2.826) 6.888 4.509 ( 1.564 4.501 -0.036) 4.765 4.558 ( -1.153 2.321 -0.500) 2.640 4.632 ( -1.713 1.519 -4.685) 5.215 4.668 ( -1.312 -0.922 -1.188) 1.995 4.766 ( 2.586 -1.848 -4.686) 5.663 4.929 ( 0.902 -1.314 -2.339) 2.830 5.066 ( -1.037 -1.518 -3.939) 4.347 5.123 ( 0.781 -0.729 3.929) 4.072 5.145 ( 1.234 2.723 3.981) 4.979 5.210 ( 0.829 -0.732 0.650) 1.283 5.248 ( -0.374 3.784 -1.681) 4.157 5.320 ( 1.713 1.351 -3.540) 4.158 5.511 ( -0.102 -0.114 4.317) 4.320 5.726 ( -3.878 2.902 -1.367) 5.033 5.828 ( 0.687 -4.939 2.415) 5.541 5.917 ( -1.749 1.560 1.870) 2.998 6.001 ( 0.747 -5.313 -2.770) 6.038 6.153 ( 1.502 2.020 0.125) 2.521 6.308 ( -1.140 4.611 2.434) 5.338 6.459 ( 2.876 -2.261 -1.523) 3.963 8.891 ( 0.701 -1.091 1.053) 1.671 8.919 ( -0.464 -0.688 0.096) 0.835 9.051 ( -0.664 2.965 0.372) 3.061 9.181 ( -0.003 1.636 -2.937) 3.362 9.796 ( -1.997 -0.391 3.385) 3.950 9.841 ( -0.675 -3.412 1.280) 3.706 9.923 ( 0.241 -5.446 0.336) 5.462 10.056 ( 0.188 2.163 -3.629) 4.229 10.604 ( -2.689 -8.000 0.791) 8.477 10.722 ( 5.077 -6.165 1.353) 8.100 10.813 ( 0.538 2.494 2.835) 3.814 11.034 ( -0.575 2.955 -4.152) 5.129 20.249 ( -0.504 1.836 1.348) 2.333 20.302 ( -1.630 -3.271 4.311) 5.651 20.348 ( 0.737 1.820 -0.270) 1.982 20.605 ( 1.460 0.274 1.024) 1.804 20.792 ( 0.093 -2.111 -1.952) 2.877 21.000 ( -0.911 -2.303 -5.104) 5.673 21.251 ( 4.854 4.669 2.253) 7.102 21.374 ( -3.456 8.482 -3.751) 9.897 22.042 ( -0.104 0.694 0.540) 0.885 22.078 ( 0.215 1.565 -0.297) 1.607 22.399 ( 0.205 -3.689 2.467) 4.443 22.564 ( 0.702 -6.807 -2.392) 7.250 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.953 1.282 -0.688) 1.739 0.858 ( -0.181 0.548 4.020) 4.061 0.919 ( -0.103 5.119 -0.735) 5.172 1.019 ( 0.312 -0.428 -1.132) 1.250 1.063 ( -0.023 1.395 -1.934) 2.385 1.167 ( 0.266 0.745 -0.754) 1.093 1.266 ( 4.398 -0.546 -0.725) 4.490 1.303 ( 2.153 1.675 -0.798) 2.842 1.445 ( -2.481 -2.605 -1.116) 3.766 1.468 ( 0.234 -4.679 -0.165) 4.688 1.503 ( 1.301 0.343 1.108) 1.743 1.568 ( -1.410 -1.811 -0.350) 2.322 1.671 ( 0.944 2.773 1.874) 3.478 1.679 ( 0.503 4.428 0.510) 4.486 1.785 ( 1.300 4.279 -2.228) 4.996 1.799 ( -2.589 0.448 -0.728) 2.726 1.870 ( -0.440 -3.566 3.230) 4.831 1.927 ( -2.702 0.251 -0.701) 2.803 2.160 ( 0.685 -1.021 2.953) 3.199 2.332 ( 0.343 2.983 0.805) 3.109 2.402 ( -1.375 -0.291 0.970) 1.707 2.516 ( -1.358 3.606 1.528) 4.145 2.553 ( 0.160 -1.832 -0.020) 1.839 2.601 ( 0.646 0.772 -2.096) 2.325 2.664 ( -0.691 2.056 -0.629) 2.258 2.727 ( 0.236 0.651 0.521) 0.867 2.922 ( -1.014 1.625 1.870) 2.677 2.962 ( 0.308 -0.355 3.070) 3.106 3.018 ( -1.293 -0.245 3.581) 3.815 3.126 ( -0.307 -1.488 -1.024) 1.832 3.206 ( 0.051 -2.205 -0.034) 2.206 3.270 ( -2.298 4.370 0.234) 4.943 3.341 ( 2.524 1.071 2.083) 3.443 3.382 ( -0.768 -0.419 0.996) 1.326 3.492 ( -3.755 0.091 2.379) 4.446 3.568 ( 2.399 3.305 -0.386) 4.102 3.583 ( 2.009 -1.410 -4.193) 4.859 3.620 ( -0.615 -0.781 1.392) 1.710 3.730 ( -2.439 3.785 1.644) 4.793 3.781 ( -3.812 -1.376 -3.485) 5.345 3.842 ( 4.606 0.129 -0.293) 4.617 4.040 ( 1.193 4.874 0.364) 5.031 4.123 ( 0.915 -2.235 0.153) 2.420 4.210 ( -2.707 -1.546 -1.861) 3.631 4.270 ( -1.959 -4.165 -0.305) 4.613 4.402 ( 0.994 2.801 -1.954) 3.557 4.416 ( 3.747 0.185 -1.214) 3.943 4.553 ( 5.612 -0.076 1.580) 5.831 4.592 ( 0.052 -0.650 -3.280) 3.344 4.706 ( -0.373 -3.462 1.261) 3.703 4.795 ( 0.040 -0.445 -0.528) 0.691 4.934 ( 2.116 -1.053 -4.527) 5.107 5.041 ( -4.677 -0.222 -1.690) 4.978 5.093 ( -1.258 1.242 -0.093) 1.771 5.167 ( 1.402 3.102 1.887) 3.892 5.194 ( -2.412 -1.441 1.955) 3.422 5.253 ( -0.100 -0.468 -0.300) 0.564 5.327 ( 6.941 -1.842 -4.802) 8.639 5.519 ( -2.328 -0.429 2.034) 3.120 5.652 ( -2.245 0.582 -1.359) 2.688 5.872 ( -2.478 1.979 6.009) 6.794 5.944 ( 0.176 -4.060 1.405) 4.300 6.076 ( 3.860 0.238 -0.270) 3.877 6.134 ( -2.216 -1.261 -1.422) 2.919 6.229 ( -1.128 2.738 2.256) 3.722 6.498 ( 2.905 -0.184 -4.809) 5.621 8.920 ( -0.440 -1.229 0.223) 1.324 8.939 ( -0.082 -1.546 1.283) 2.011 9.013 ( -0.342 1.063 0.560) 1.249 9.149 ( 0.641 0.618 -2.806) 2.943 9.779 ( -0.467 2.512 3.475) 4.313 9.894 ( -2.411 -2.824 1.701) 4.084 9.968 ( -0.372 1.812 -1.954) 2.691 10.043 ( 0.963 -3.307 -0.286) 3.457 10.644 ( -0.106 3.396 2.014) 3.950 10.805 ( -0.323 -2.129 1.813) 2.816 10.826 ( 1.000 -0.141 -2.424) 2.625 10.979 ( 0.991 0.135 -2.888) 3.057 20.231 ( -0.956 -0.184 0.196) 0.993 20.308 ( 0.710 3.733 1.372) 4.040 20.356 ( -1.119 -2.331 1.693) 3.090 20.595 ( 0.844 1.330 -2.610) 3.049 20.852 ( -0.222 -2.319 2.744) 3.600 21.014 ( 0.575 -1.462 -2.546) 2.992 21.190 ( 0.843 0.947 2.603) 2.896 21.317 ( -0.547 -2.579 -2.647) 3.736 22.036 ( -0.029 0.301 0.082) 0.314 22.060 ( 0.354 0.413 -0.514) 0.748 22.448 ( -0.991 -1.113 2.762) 3.139 22.636 ( 0.550 -1.904 -2.631) 3.294 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -7.717 -0.000 -1.166) 7.805 0.808 ( 1.111 0.000 -4.397) 4.535 0.863 ( 2.680 0.000 -0.790) 2.794 0.887 ( -3.767 -0.000 -1.735) 4.148 0.955 ( -1.692 -0.000 1.290) 2.128 1.093 ( 4.235 0.000 1.467) 4.482 1.205 ( 4.015 0.000 4.602) 6.107 1.310 ( 0.592 0.000 5.113) 5.147 1.375 ( -0.508 -0.000 0.910) 1.042 1.407 ( -5.446 -0.000 -1.741) 5.718 1.494 ( -0.343 -0.000 -0.341) 0.484 1.541 ( -1.991 -0.000 -0.504) 2.054 1.576 ( 6.170 0.000 -0.405) 6.183 1.625 ( 0.069 0.000 -0.120) 0.139 1.824 ( -5.571 -0.000 -7.015) 8.958 1.883 ( 3.229 0.000 -3.406) 4.694 2.115 ( 2.303 0.000 5.729) 6.175 2.188 ( 2.615 0.000 3.077) 4.038 2.257 ( -3.186 -0.000 1.253) 3.423 2.311 ( -2.438 -0.000 0.031) 2.438 2.375 ( 0.519 0.000 -0.422) 0.669 2.483 ( -0.288 -0.000 0.418) 0.508 2.582 ( -3.447 -0.000 -9.779) 10.368 2.632 ( 3.663 0.000 9.504) 10.186 2.703 ( -0.879 -0.000 -0.848) 1.222 2.884 ( 1.038 0.000 -4.703) 4.816 2.954 ( 5.515 0.000 2.494) 6.053 2.990 ( -1.941 -0.000 3.720) 4.196 3.043 ( 1.477 0.000 4.245) 4.495 3.097 ( -0.434 -0.000 7.028) 7.041 3.209 ( 1.364 0.000 -1.870) 2.315 3.343 ( 2.781 0.000 -2.406) 3.677 3.404 ( -5.038 -0.000 -1.746) 5.332 3.455 ( 0.951 0.000 -4.381) 4.483 3.488 ( 1.769 0.000 1.751) 2.489 3.654 ( 0.721 0.000 -5.267) 5.316 3.691 ( 5.387 0.000 -0.436) 5.405 3.741 ( -0.118 -0.000 2.508) 2.511 3.748 ( -2.902 -0.000 0.938) 3.050 3.836 ( 0.330 0.000 4.685) 4.696 3.928 ( -2.134 -0.000 0.046) 2.134 3.967 ( -4.705 -0.000 13.789) 14.570 4.050 ( -0.983 -0.000 -5.547) 5.633 4.190 ( -2.157 -0.000 -0.024) 2.157 4.284 ( 3.586 0.000 -4.238) 5.552 4.458 ( 0.230 0.000 -5.135) 5.140 4.467 ( -1.333 -0.000 7.270) 7.391 4.611 ( 2.286 0.000 -6.995) 7.359 4.646 ( -0.016 -0.000 -6.055) 6.055 4.741 ( -4.864 -0.000 -0.919) 4.950 4.800 ( 0.243 0.000 3.454) 3.463 4.966 ( -1.387 -0.000 -1.815) 2.285 4.984 ( -0.360 -0.000 0.344) 0.498 5.029 ( 1.399 0.000 -3.460) 3.732 5.162 ( 1.524 0.000 0.150) 1.531 5.194 ( 0.691 0.000 2.194) 2.300 5.386 ( 1.879 0.000 1.983) 2.732 5.441 ( 3.058 0.000 -4.452) 5.401 5.555 ( -2.217 -0.000 -1.216) 2.528 5.623 ( -1.363 -0.000 -0.769) 1.565 5.707 ( 1.108 0.000 3.937) 4.090 5.900 ( 2.601 0.000 1.112) 2.829 6.000 ( 1.925 0.000 1.713) 2.576 6.100 ( -1.913 -0.000 -0.456) 1.967 6.469 ( 1.086 0.000 3.276) 3.452 6.588 ( -1.600 -0.000 0.697) 1.745 8.902 ( -0.701 -0.000 0.294) 0.760 8.925 ( -0.421 -0.000 -0.029) 0.422 9.205 ( -0.616 -0.000 0.080) 0.621 9.267 ( 0.108 0.000 -1.199) 1.204 9.641 ( 0.367 0.000 2.692) 2.717 9.677 ( -1.512 -0.000 1.661) 2.246 9.811 ( 0.169 0.000 -0.760) 0.779 9.926 ( -0.236 -0.000 -2.080) 2.093 10.240 ( -0.427 -0.000 1.395) 1.459 10.459 ( 2.216 0.000 -2.460) 3.311 10.883 ( 0.451 0.000 3.181) 3.212 11.137 ( 0.131 0.000 -2.885) 2.888 20.171 ( -0.905 -0.000 5.960) 6.028 20.344 ( -1.437 -0.000 -0.775) 1.633 20.393 ( -0.676 -0.000 1.448) 1.598 20.506 ( 3.804 0.000 7.670) 8.562 20.912 ( -3.051 -0.000 -7.833) 8.406 21.023 ( 1.251 0.000 -3.396) 3.620 21.458 ( 7.719 0.000 -0.760) 7.756 21.812 ( -5.830 -0.000 -9.392) 11.055 22.063 ( -0.773 -0.000 2.494) 2.611 22.152 ( -0.045 -0.000 -0.020) 0.049 22.158 ( -0.301 -0.000 -1.309) 1.343 22.211 ( 0.695 0.000 -0.577) 0.903 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -9.161 -2.855 -5.283) 10.954 0.798 ( -5.884 -5.218 -0.997) 7.927 0.859 ( 3.195 -0.954 1.208) 3.546 0.904 ( 1.310 -0.444 -0.341) 1.425 0.965 ( -1.231 -2.008 1.153) 2.623 1.120 ( 2.571 0.442 -0.962) 2.781 1.255 ( 4.142 1.136 4.206) 6.012 1.302 ( -3.853 1.842 0.457) 4.295 1.380 ( 0.910 0.050 1.715) 1.942 1.396 ( -2.501 -4.176 1.159) 5.003 1.450 ( 0.770 4.169 -0.562) 4.277 1.548 ( -1.117 -1.519 -0.174) 1.894 1.608 ( -3.648 -0.613 -0.296) 3.711 1.649 ( 4.738 -1.888 0.034) 5.100 1.767 ( -4.034 -1.994 -4.767) 6.556 1.872 ( 0.709 2.148 -2.271) 3.205 2.114 ( -0.934 6.046 2.419) 6.579 2.153 ( 2.047 2.109 4.930) 5.740 2.257 ( -0.655 2.116 1.165) 2.503 2.316 ( -4.145 -3.348 0.748) 5.381 2.397 ( 0.370 -1.103 -2.612) 2.859 2.478 ( -2.628 -1.705 -4.279) 5.303 2.526 ( 1.328 0.428 -0.596) 1.517 2.693 ( 0.256 -1.823 -1.651) 2.473 2.763 ( 4.635 -2.784 7.411) 9.174 2.854 ( -1.823 0.332 -1.361) 2.299 2.925 ( -1.957 4.336 3.302) 5.791 3.003 ( 2.353 1.103 0.740) 2.702 3.068 ( 1.976 0.371 2.158) 2.949 3.110 ( -3.159 4.713 -0.916) 5.747 3.194 ( 2.715 -2.132 5.383) 6.395 3.324 ( -2.420 3.095 -1.826) 4.333 3.398 ( 3.121 -2.797 -0.720) 4.253 3.458 ( -1.508 2.028 1.540) 2.960 3.516 ( -0.028 -3.214 0.091) 3.215 3.590 ( 0.242 3.310 -5.468) 6.397 3.677 ( -4.026 3.030 0.921) 5.122 3.731 ( -1.560 0.303 2.661) 3.100 3.763 ( 0.172 -0.773 -0.502) 0.937 3.845 ( 0.477 1.317 1.084) 1.771 3.869 ( -3.620 0.916 0.937) 3.850 4.004 ( -3.055 -1.723 6.989) 7.820 4.077 ( 4.021 -1.702 0.747) 4.430 4.134 ( -4.156 2.897 -1.312) 5.233 4.278 ( -0.318 0.684 -2.543) 2.652 4.388 ( 4.246 4.014 -1.069) 5.940 4.538 ( 0.422 -2.325 1.609) 2.859 4.594 ( 0.093 0.039 -5.155) 5.156 4.642 ( -0.975 -0.856 -6.884) 7.005 4.688 ( 0.416 0.563 -1.054) 1.265 4.809 ( -4.061 1.197 -1.145) 4.386 4.890 ( 2.337 2.519 0.832) 3.535 5.007 ( 1.345 -1.722 -0.850) 2.345 5.065 ( 1.745 -1.735 -1.646) 2.960 5.191 ( 1.749 -1.150 0.055) 2.094 5.226 ( 2.205 -0.565 1.017) 2.494 5.334 ( -0.072 4.642 -2.798) 5.420 5.469 ( 3.236 0.681 -1.009) 3.457 5.532 ( 0.340 1.884 7.025) 7.281 5.672 ( -1.574 -5.042 -1.739) 5.561 5.695 ( 0.096 0.103 0.862) 0.873 5.906 ( 1.460 1.615 -0.785) 2.315 6.031 ( -1.550 1.027 1.788) 2.580 6.126 ( 1.296 -5.003 -2.002) 5.542 6.436 ( 2.469 5.829 5.180) 8.180 6.532 ( -3.394 4.065 -0.155) 5.298 8.892 ( 0.470 0.797 0.540) 1.071 8.920 ( 0.152 0.480 -0.105) 0.514 9.170 ( -1.299 2.905 0.084) 3.183 9.247 ( -0.046 1.670 -1.571) 2.293 9.675 ( -1.689 -2.791 1.317) 3.518 9.728 ( 0.200 -4.853 2.832) 5.623 9.789 ( -0.558 -0.644 0.213) 0.878 10.013 ( 0.466 -6.828 -3.708) 7.783 10.282 ( -1.207 -5.376 2.431) 6.022 10.501 ( 3.653 -3.787 -1.922) 5.602 10.893 ( 0.718 1.118 3.647) 3.881 11.110 ( -0.691 1.192 -3.537) 3.796 20.206 ( -0.944 -1.527 6.867) 7.098 20.340 ( -0.320 -0.498 0.487) 0.766 20.370 ( -1.126 2.482 1.556) 3.138 20.581 ( 2.637 -1.072 7.523) 8.044 20.822 ( -2.282 2.798 -9.491) 10.155 20.998 ( 1.578 2.015 -4.789) 5.430 21.474 ( 9.711 6.442 2.895) 12.008 21.670 ( -4.952 5.395 -12.243) 14.266 22.069 ( -0.478 0.233 2.170) 2.234 22.142 ( -0.989 1.467 -0.414) 1.817 22.218 ( 2.566 -5.912 0.568) 6.470 22.265 ( -0.303 -7.090 -1.693) 7.295 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -7.665 -4.329 -4.386) 9.835 0.842 ( -1.625 -3.325 1.168) 3.881 0.902 ( -1.959 -2.604 -3.033) 4.452 0.970 ( 0.407 -4.121 1.686) 4.471 1.031 ( 2.429 -5.410 1.030) 6.019 1.108 ( 0.313 1.098 -1.158) 1.626 1.253 ( -0.795 -0.281 2.414) 2.557 1.311 ( 1.685 -1.767 1.678) 2.962 1.344 ( -2.755 3.382 -1.383) 4.576 1.387 ( 2.031 1.853 0.488) 2.792 1.476 ( 0.135 -3.669 0.796) 3.757 1.553 ( 0.184 0.417 -1.549) 1.615 1.602 ( -4.750 -3.897 -0.423) 6.158 1.714 ( 0.645 -2.766 -0.209) 2.848 1.775 ( -2.294 -2.288 -0.227) 3.247 1.813 ( -1.518 2.947 0.091) 3.316 1.997 ( -1.185 6.803 1.717) 7.116 2.117 ( 0.534 7.568 0.141) 7.588 2.205 ( 0.440 1.792 1.971) 2.700 2.342 ( -2.820 -2.716 0.275) 3.925 2.401 ( -2.526 -1.593 -0.148) 2.990 2.454 ( -1.807 -0.791 -1.510) 2.485 2.570 ( 2.503 -0.205 -0.127) 2.515 2.695 ( 2.240 0.202 -3.874) 4.480 2.796 ( -1.381 5.447 2.859) 6.305 2.847 ( -3.624 4.366 3.839) 6.851 2.893 ( 2.359 -2.901 3.131) 4.877 2.985 ( -2.128 0.387 -1.355) 2.552 3.019 ( 1.235 -0.383 2.286) 2.626 3.089 ( -0.640 1.241 0.827) 1.623 3.204 ( 0.006 2.878 -1.788) 3.388 3.321 ( -0.372 -1.890 5.916) 6.222 3.386 ( -1.740 2.547 -0.930) 3.222 3.448 ( 2.920 0.715 0.465) 3.042 3.511 ( -2.036 -0.592 -4.520) 4.993 3.558 ( -6.793 4.304 0.452) 8.054 3.609 ( 0.766 -1.118 3.173) 3.451 3.707 ( -0.754 2.387 1.283) 2.813 3.728 ( -2.078 1.343 -1.720) 3.014 3.846 ( -2.778 -1.381 3.026) 4.333 3.878 ( 6.759 1.928 1.977) 7.301 4.000 ( -7.135 0.105 -1.248) 7.244 4.089 ( 0.630 -1.771 2.288) 2.961 4.139 ( 2.095 -2.161 -0.685) 3.087 4.243 ( 0.648 2.390 -0.103) 2.479 4.378 ( 4.419 1.142 -2.423) 5.168 4.567 ( 1.124 0.895 -1.267) 1.916 4.570 ( -1.330 0.072 -3.111) 3.384 4.612 ( 0.760 -0.766 -0.301) 1.121 4.651 ( -4.316 2.828 -3.198) 6.071 4.760 ( 3.335 -0.306 -5.138) 6.133 4.910 ( 1.418 -0.407 0.181) 1.486 5.022 ( -0.435 -0.473 -3.091) 3.157 5.124 ( 3.068 -2.238 2.217) 4.397 5.211 ( 1.941 0.956 0.332) 2.189 5.237 ( 1.562 1.828 1.466) 2.816 5.267 ( 0.844 1.750 -3.400) 3.916 5.391 ( -0.948 6.130 -0.157) 6.205 5.548 ( -0.153 1.422 6.310) 6.470 5.733 ( -1.007 -1.841 1.973) 2.880 5.755 ( 0.338 -5.030 -1.828) 5.363 5.879 ( 0.651 -0.899 -3.311) 3.493 5.978 ( -2.449 2.954 2.512) 4.586 6.201 ( 4.348 -1.140 -2.722) 5.255 6.378 ( -2.665 4.731 1.468) 5.625 6.454 ( 0.864 0.980 1.674) 2.124 8.898 ( 1.734 -0.051 1.109) 2.059 8.914 ( 0.392 0.292 -0.106) 0.501 9.102 ( -1.338 3.509 0.401) 3.777 9.202 ( -0.264 2.232 -2.104) 3.079 9.723 ( -3.269 -4.294 1.088) 5.505 9.819 ( 0.823 -2.919 3.302) 4.483 9.839 ( 0.343 -4.603 0.568) 4.650 10.064 ( 1.252 -0.553 -3.437) 3.700 10.414 ( -3.245 -9.981 1.135) 10.557 10.641 ( 5.728 -7.952 -0.387) 9.808 10.887 ( 0.981 2.416 3.696) 4.523 11.054 ( -1.246 2.328 -4.118) 4.892 20.263 ( -1.480 -2.321 7.280) 7.783 20.303 ( -1.435 3.961 1.507) 4.474 20.362 ( 0.787 -0.751 0.018) 1.088 20.638 ( 1.787 0.492 4.527) 4.891 20.741 ( -0.827 -0.651 -6.448) 6.534 20.948 ( 0.128 0.876 -6.972) 7.028 21.401 ( -2.589 7.507 -4.859) 9.309 21.495 ( 5.961 8.608 -0.563) 10.486 22.060 ( -0.583 1.130 1.155) 1.718 22.106 ( -0.370 1.720 -0.059) 1.760 22.336 ( 0.920 -4.962 0.553) 5.077 22.426 ( 3.161 -9.986 -1.085) 10.530 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -4.843 -3.047 -3.053) 6.485 0.881 ( 0.402 -0.975 3.811) 3.954 0.937 ( -6.588 -3.413 -1.013) 7.488 0.969 ( 0.740 0.269 -2.183) 2.321 1.086 ( 1.111 0.972 -1.436) 2.059 1.155 ( 0.465 -2.687 0.553) 2.783 1.287 ( 2.724 -0.194 -1.474) 3.104 1.306 ( -0.804 -3.631 2.552) 4.510 1.381 ( 0.411 -1.814 -1.124) 2.173 1.400 ( 4.950 -2.587 0.463) 5.604 1.518 ( 0.629 -0.940 -0.258) 1.160 1.525 ( -1.655 0.321 -2.876) 3.333 1.666 ( -4.194 -5.005 0.787) 6.578 1.735 ( -1.619 -0.797 0.671) 1.925 1.768 ( -3.142 -0.098 -0.580) 3.197 1.794 ( -0.137 -1.353 1.127) 1.767 1.898 ( -0.275 4.110 2.331) 4.733 1.956 ( -1.143 8.993 -1.542) 9.196 2.196 ( 0.776 1.607 3.204) 3.667 2.360 ( -3.001 1.927 -1.900) 4.041 2.374 ( -0.960 -1.475 1.666) 2.423 2.502 ( 0.451 -3.930 1.874) 4.377 2.549 ( -0.774 1.137 -0.841) 1.612 2.656 ( -2.420 6.275 -1.583) 6.909 2.720 ( 3.930 0.712 -0.086) 3.995 2.763 ( -2.277 4.390 5.589) 7.463 2.944 ( -2.587 -0.355 -1.639) 3.083 2.960 ( 1.095 0.507 1.746) 2.123 3.045 ( -2.632 2.064 2.707) 4.303 3.091 ( 1.895 -3.212 0.876) 3.831 3.183 ( 1.571 -0.746 -0.496) 1.809 3.304 ( -4.090 1.609 1.554) 4.661 3.388 ( -1.646 3.315 1.274) 3.915 3.400 ( 0.023 3.062 0.294) 3.076 3.453 ( -2.597 -0.658 -0.119) 2.681 3.517 ( -2.052 -3.396 -3.728) 5.445 3.615 ( -2.060 0.579 -1.079) 2.397 3.666 ( 0.580 1.961 1.650) 2.628 3.725 ( 2.931 0.620 1.944) 3.571 3.800 ( -1.514 4.370 0.752) 4.685 3.897 ( 3.796 2.080 2.075) 4.800 4.015 ( -4.786 -6.498 2.052) 8.328 4.126 ( 2.467 1.371 -1.438) 3.168 4.179 ( -0.955 -2.964 -1.622) 3.511 4.212 ( 2.008 2.015 -1.301) 3.129 4.395 ( 1.977 -1.463 -3.431) 4.221 4.498 ( -0.104 4.825 -1.012) 4.931 4.542 ( -1.327 -0.543 -4.063) 4.308 4.617 ( 2.347 -0.920 -0.442) 2.560 4.665 ( 2.490 -1.703 4.607) 5.507 4.777 ( 1.506 -1.043 -4.493) 4.852 4.916 ( 0.341 -0.813 -3.351) 3.465 4.995 ( -2.482 0.999 -2.415) 3.605 5.126 ( -0.090 3.205 0.987) 3.355 5.195 ( -1.062 2.159 2.396) 3.396 5.239 ( 1.049 1.783 0.913) 2.261 5.246 ( 0.440 -0.137 0.171) 0.492 5.342 ( 6.126 -0.271 -5.407) 8.175 5.526 ( -2.309 1.639 3.965) 4.872 5.675 ( -1.447 4.378 0.484) 4.637 5.869 ( 1.934 -5.691 1.151) 6.120 5.910 ( -2.692 1.078 4.881) 5.677 5.973 ( -0.270 -6.196 -3.266) 7.009 6.202 ( 2.360 3.614 0.769) 4.384 6.279 ( -2.605 3.536 -0.112) 4.393 6.485 ( 2.354 -1.444 -2.873) 3.985 8.915 ( 0.770 0.151 0.160) 0.800 8.926 ( 1.121 -0.784 1.197) 1.818 9.042 ( -1.110 2.489 0.820) 2.846 9.160 ( 0.547 1.351 -2.237) 2.670 9.767 ( -4.014 -3.366 1.883) 5.567 9.867 ( 1.195 -0.478 2.987) 3.253 9.934 ( 0.939 -4.818 0.863) 4.984 10.045 ( 1.687 1.975 -2.532) 3.627 10.554 ( -3.613 -8.980 0.093) 9.680 10.797 ( 2.774 -4.225 -1.534) 5.282 10.859 ( 1.616 3.542 3.472) 5.217 10.989 ( 0.086 1.810 -3.471) 3.915 20.242 ( -1.317 1.774 0.603) 2.290 20.319 ( -1.671 -1.932 5.442) 6.012 20.364 ( 1.133 1.601 -0.089) 1.963 20.622 ( 1.310 2.111 -2.405) 3.458 20.782 ( -1.284 -4.343 0.242) 4.535 20.940 ( 0.358 -3.934 -4.763) 6.188 21.220 ( -5.060 4.331 -5.040) 8.353 21.421 ( 6.828 8.944 3.667) 11.835 22.042 ( -0.446 0.603 0.375) 0.839 22.076 ( -0.023 1.450 -0.440) 1.516 22.409 ( -0.931 -3.326 0.781) 3.541 22.589 ( 4.177 -5.019 -0.540) 6.552 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -11.880 -0.000 -1.486) 11.973 0.672 ( -10.971 -0.000 0.279) 10.974 0.899 ( -1.531 -0.000 -1.922) 2.457 0.918 ( 3.441 0.000 0.403) 3.464 0.923 ( 0.015 0.000 2.716) 2.716 1.128 ( -0.365 -0.000 -2.898) 2.921 1.293 ( -5.407 -0.000 -0.411) 5.423 1.327 ( -2.176 -0.000 1.128) 2.451 1.344 ( 6.658 0.000 4.901) 8.268 1.381 ( -2.677 -0.000 1.290) 2.972 1.501 ( -2.387 -0.000 -0.725) 2.495 1.506 ( 1.538 0.000 -2.665) 3.077 1.556 ( -5.098 -0.000 1.411) 5.289 1.672 ( 4.561 0.000 0.817) 4.634 1.712 ( -0.159 -0.000 -5.237) 5.239 1.896 ( 1.454 0.000 -2.407) 2.813 2.190 ( -5.338 -0.000 3.666) 6.476 2.201 ( 0.636 0.000 4.778) 4.820 2.218 ( -2.382 -0.000 2.042) 3.137 2.300 ( 0.148 0.000 1.352) 1.360 2.397 ( -1.256 -0.000 -8.595) 8.686 2.408 ( 3.689 0.000 -0.033) 3.689 2.554 ( 1.868 0.000 -0.475) 1.928 2.649 ( -2.563 -0.000 1.468) 2.954 2.798 ( 0.079 0.000 3.436) 3.437 2.849 ( 2.978 0.000 0.311) 2.994 2.957 ( -3.758 -0.000 2.839) 4.710 3.019 ( -1.418 -0.000 -3.365) 3.652 3.069 ( 1.151 0.000 -2.513) 2.764 3.128 ( -5.630 -0.000 2.027) 5.984 3.207 ( 1.183 0.000 3.573) 3.763 3.316 ( -1.998 -0.000 -3.361) 3.910 3.381 ( 0.603 0.000 0.619) 0.865 3.502 ( 5.326 0.000 6.299) 8.249 3.505 ( -1.887 -0.000 0.969) 2.121 3.600 ( 0.548 0.000 -3.739) 3.779 3.680 ( -3.849 -0.000 -0.404) 3.870 3.695 ( -8.828 -0.000 0.863) 8.870 3.745 ( 0.268 0.000 -1.936) 1.954 3.797 ( -2.421 -0.000 -4.003) 4.679 3.906 ( 2.802 0.000 5.490) 6.163 4.057 ( 0.498 0.000 12.165) 12.175 4.087 ( 3.016 0.000 -0.897) 3.146 4.123 ( -3.525 -0.000 -1.697) 3.912 4.268 ( -1.283 -0.000 -0.712) 1.468 4.451 ( 2.953 0.000 -2.781) 4.057 4.514 ( -1.468 -0.000 0.484) 1.546 4.577 ( 0.544 0.000 -6.159) 6.183 4.603 ( 1.711 0.000 -3.604) 3.989 4.698 ( -0.551 -0.000 2.815) 2.868 4.754 ( -5.958 -0.000 -4.351) 7.378 4.951 ( 4.432 0.000 -0.984) 4.540 4.995 ( 2.115 0.000 -0.671) 2.219 5.084 ( 5.093 0.000 1.331) 5.265 5.195 ( 1.949 0.000 -0.106) 1.952 5.246 ( 2.477 0.000 1.146) 2.729 5.417 ( 1.161 0.000 -7.806) 7.892 5.428 ( 1.548 0.000 0.288) 1.574 5.560 ( 1.687 0.000 2.542) 3.051 5.606 ( -0.258 -0.000 0.516) 0.577 5.758 ( 0.774 0.000 3.954) 4.029 5.925 ( 0.868 0.000 -1.744) 1.948 6.042 ( -0.197 -0.000 3.144) 3.150 6.057 ( -1.985 -0.000 -2.401) 3.115 6.528 ( 1.685 0.000 4.604) 4.903 6.542 ( -4.111 -0.000 0.055) 4.111 8.907 ( 1.129 0.000 0.466) 1.222 8.932 ( 1.163 0.000 0.220) 1.184 9.183 ( -2.093 -0.000 0.389) 2.129 9.257 ( -0.211 -0.000 -1.355) 1.372 9.651 ( -3.001 -0.000 0.935) 3.143 9.681 ( 0.626 0.000 4.476) 4.520 9.808 ( 0.328 0.000 -1.058) 1.108 9.901 ( 0.287 0.000 -2.914) 2.928 10.245 ( -0.990 -0.000 2.367) 2.566 10.484 ( 3.660 0.000 -3.596) 5.131 10.923 ( 0.392 0.000 3.740) 3.760 11.096 ( -1.319 -0.000 -4.039) 4.249 20.224 ( -0.482 -0.000 9.222) 9.235 20.329 ( -0.058 -0.000 0.099) 0.115 20.396 ( -1.009 -0.000 2.583) 2.773 20.628 ( 1.883 0.000 8.368) 8.577 20.796 ( -1.017 -0.000 -9.535) 9.589 21.017 ( 2.606 0.000 -5.213) 5.828 21.596 ( -5.312 -0.000 -18.674) 19.415 21.655 ( 13.356 0.000 3.536) 13.816 22.074 ( -0.768 -0.000 2.589) 2.700 22.150 ( 0.167 0.000 -0.331) 0.371 22.152 ( 0.096 0.000 -0.127) 0.159 22.210 ( 0.427 0.000 -1.684) 1.737 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -11.168 -4.846 -2.824) 12.497 0.689 ( -7.995 -8.865 1.481) 12.029 0.854 ( -5.192 -0.284 -0.759) 5.255 0.941 ( 3.275 -2.168 1.314) 4.141 0.987 ( 0.781 -2.476 1.360) 2.931 1.092 ( -3.857 -0.486 -3.506) 5.236 1.253 ( -3.158 0.454 2.027) 3.780 1.296 ( -8.822 -1.061 1.327) 8.984 1.355 ( 0.651 0.517 -2.051) 2.213 1.388 ( 3.350 1.715 1.758) 4.154 1.493 ( -2.755 -0.753 -2.262) 3.643 1.505 ( 4.398 0.686 0.470) 4.476 1.568 ( -0.374 -1.289 2.910) 3.205 1.681 ( -0.197 0.047 -2.627) 2.635 1.730 ( 1.943 -1.929 -0.736) 2.835 1.859 ( -1.485 3.519 0.175) 3.823 2.103 ( -2.628 4.456 1.521) 5.392 2.210 ( -1.407 0.005 4.438) 4.656 2.229 ( -2.689 4.057 -1.317) 5.042 2.281 ( -0.265 -1.832 -0.073) 1.852 2.366 ( -0.643 0.097 -0.898) 1.109 2.437 ( 1.348 -0.088 0.239) 1.372 2.582 ( 4.533 -2.249 0.487) 5.084 2.695 ( 1.181 -1.022 -2.845) 3.245 2.789 ( -3.874 -3.474 0.957) 5.290 2.876 ( -2.228 3.212 1.222) 4.095 2.931 ( 1.269 0.775 5.296) 5.501 2.961 ( -3.166 1.063 -4.194) 5.362 3.041 ( -3.326 0.998 -1.623) 3.833 3.093 ( -0.790 -0.640 0.825) 1.310 3.211 ( -3.756 1.590 -2.919) 5.016 3.304 ( -0.867 -2.354 1.602) 2.976 3.367 ( -3.439 1.991 -0.839) 4.062 3.470 ( -0.750 0.437 -0.400) 0.956 3.532 ( 3.041 3.379 -0.156) 4.548 3.587 ( -2.872 2.964 -0.385) 4.145 3.613 ( -1.576 1.478 1.918) 2.889 3.697 ( -2.263 -3.812 -2.433) 5.057 3.745 ( -0.304 -1.675 4.134) 4.471 3.785 ( -0.222 -0.734 1.117) 1.355 3.975 ( 4.048 0.375 4.507) 6.070 4.011 ( -1.406 5.027 -0.573) 5.251 4.093 ( -0.042 0.707 4.839) 4.891 4.126 ( 1.223 -0.302 -0.846) 1.517 4.266 ( -0.539 -0.537 3.324) 3.410 4.424 ( 0.197 3.196 -2.931) 4.341 4.517 ( -1.766 -1.705 -3.213) 4.043 4.561 ( -0.088 -1.866 -4.545) 4.914 4.609 ( 1.733 0.490 -0.509) 1.871 4.658 ( -2.130 1.921 -0.079) 2.869 4.747 ( 0.549 -1.449 -1.956) 2.495 4.950 ( 3.511 2.879 -1.861) 4.907 5.016 ( 2.322 -0.069 -2.448) 3.375 5.143 ( 5.390 -0.740 3.015) 6.220 5.216 ( 1.408 -0.833 -0.808) 1.824 5.272 ( 1.769 -0.118 0.911) 1.994 5.318 ( 2.522 3.929 -3.924) 6.099 5.503 ( 1.513 5.874 -1.411) 6.227 5.573 ( -1.510 -5.124 2.633) 5.956 5.620 ( -1.527 -0.822 0.116) 1.738 5.722 ( 0.007 0.662 2.309) 2.402 5.931 ( 2.289 2.363 -0.725) 3.369 5.999 ( -3.438 0.992 1.123) 3.751 6.138 ( 2.821 -7.043 -3.011) 8.163 6.434 ( -5.830 6.356 -1.289) 8.721 6.533 ( 1.868 3.416 4.360) 5.845 8.921 ( 2.361 0.270 1.002) 2.579 8.936 ( 1.758 0.916 0.296) 2.005 9.144 ( -2.158 2.528 0.810) 3.421 9.229 ( -0.572 1.902 -1.486) 2.480 9.640 ( -3.240 -2.136 0.474) 3.910 9.762 ( -0.854 -4.650 5.361) 7.148 9.795 ( 1.740 -1.800 -0.570) 2.568 10.001 ( 2.020 -7.114 -2.795) 7.906 10.276 ( -1.773 -3.897 2.246) 4.835 10.551 ( 4.975 -6.366 -4.170) 9.092 10.935 ( 0.175 0.808 3.526) 3.622 11.054 ( -1.719 1.194 -4.263) 4.749 20.272 ( -0.503 -0.335 11.093) 11.109 20.344 ( 0.352 -0.760 -0.248) 0.873 20.369 ( -1.502 3.179 3.182) 4.742 20.682 ( 1.129 -0.843 7.529) 7.660 20.715 ( -0.331 2.939 -8.791) 9.275 20.968 ( 1.728 4.172 -9.127) 10.183 21.407 ( -7.302 4.881 -16.930) 19.073 21.728 ( 12.437 6.523 4.096) 14.629 22.077 ( -0.946 0.674 1.892) 2.220 22.127 ( -0.713 1.274 0.015) 1.459 22.245 ( 0.110 -5.928 -2.109) 6.293 22.282 ( 5.031 -9.908 0.302) 11.116 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -7.611 -7.520 -1.726) 10.838 0.767 ( -7.634 -7.075 -2.191) 10.637 0.844 ( -3.050 -3.026 0.460) 4.321 0.989 ( 0.657 1.012 0.237) 1.230 1.085 ( 1.144 -1.922 -0.802) 2.376 1.088 ( -0.622 -7.462 0.872) 7.538 1.240 ( -5.328 -3.032 1.510) 6.314 1.285 ( -1.930 -2.173 -0.267) 2.918 1.357 ( 1.513 -2.458 0.375) 2.911 1.390 ( 0.165 0.586 -0.504) 0.790 1.478 ( -0.517 -0.773 -0.637) 1.127 1.515 ( 1.880 1.605 -1.285) 2.785 1.589 ( 0.613 -0.839 2.239) 2.468 1.678 ( -2.282 -0.978 -1.087) 2.711 1.751 ( -1.541 0.001 -2.151) 2.646 1.800 ( -1.875 0.669 3.296) 3.851 2.007 ( -0.845 6.474 1.449) 6.688 2.085 ( -3.106 7.185 -0.579) 7.849 2.220 ( -1.155 -0.190 2.973) 3.195 2.331 ( -0.004 -1.924 -1.665) 2.544 2.363 ( -2.273 -0.758 2.896) 3.758 2.478 ( 4.406 -1.358 2.328) 5.165 2.577 ( -0.762 3.557 -1.817) 4.066 2.711 ( 1.677 -0.879 0.059) 1.895 2.743 ( -2.845 4.224 -3.214) 6.022 2.818 ( -4.703 0.686 3.768) 6.065 2.913 ( -3.080 1.016 -1.691) 3.658 2.980 ( 3.165 -1.104 1.625) 3.725 3.028 ( -1.577 -0.735 -1.584) 2.353 3.092 ( 0.979 0.803 2.031) 2.393 3.159 ( -3.014 -1.640 -2.353) 4.161 3.284 ( -6.926 -1.638 -3.386) 7.881 3.369 ( -0.522 -2.098 1.777) 2.799 3.447 ( -2.138 1.343 -1.884) 3.150 3.458 ( -0.281 4.258 1.406) 4.493 3.501 ( -0.641 4.946 0.350) 5.000 3.595 ( 0.936 -0.494 -2.031) 2.290 3.697 ( -1.441 1.647 -0.452) 2.235 3.799 ( 3.858 0.616 4.131) 5.686 3.859 ( -0.422 -3.205 4.422) 5.478 3.875 ( -4.841 0.874 -2.290) 5.427 3.999 ( 1.541 4.409 5.283) 7.051 4.124 ( 1.478 -0.994 1.748) 2.495 4.147 ( 3.557 -1.446 -2.241) 4.446 4.289 ( 2.936 2.881 1.025) 4.239 4.350 ( -3.304 -0.132 -3.256) 4.640 4.503 ( -3.712 -0.716 1.575) 4.095 4.546 ( 0.815 1.485 -7.594) 7.780 4.613 ( 3.526 -0.706 -1.044) 3.744 4.687 ( 2.220 -1.763 4.771) 5.550 4.750 ( -0.104 -0.155 -3.817) 3.822 4.905 ( 0.250 1.823 -2.887) 3.424 5.008 ( 1.243 1.619 -2.726) 3.405 5.195 ( 3.302 1.809 1.386) 4.012 5.234 ( 1.236 -0.069 -1.162) 1.698 5.259 ( -1.806 3.599 3.272) 5.188 5.293 ( 2.572 2.205 0.762) 3.473 5.360 ( 0.831 2.297 -4.580) 5.190 5.567 ( -0.984 3.121 2.347) 4.027 5.698 ( -2.496 -4.571 -0.274) 5.216 5.789 ( 1.219 -5.172 1.893) 5.641 5.884 ( 1.933 2.241 -0.546) 3.010 5.967 ( -2.603 1.594 3.696) 4.793 6.220 ( -2.608 -0.054 -4.580) 5.271 6.316 ( 2.387 0.751 -2.026) 3.220 6.497 ( 0.813 2.770 1.028) 3.064 8.930 ( 1.525 0.794 0.416) 1.769 8.950 ( 2.979 0.523 1.139) 3.232 9.081 ( -1.958 2.979 0.915) 3.680 9.183 ( 0.044 1.960 -1.651) 2.563 9.671 ( -3.707 -4.101 0.849) 5.593 9.853 ( 0.373 -4.879 3.042) 5.761 9.878 ( 1.914 -3.233 2.336) 4.424 10.076 ( 3.129 -0.208 -1.506) 3.479 10.369 ( -2.754 -8.194 0.306) 8.650 10.714 ( 4.548 -7.686 -4.163) 9.854 10.930 ( 0.318 1.819 3.127) 3.631 11.000 ( -0.523 1.353 -3.324) 3.627 20.262 ( -5.080 3.316 3.657) 7.084 20.326 ( 0.438 -0.085 5.922) 5.938 20.381 ( 0.872 -0.585 0.200) 1.069 20.651 ( 1.285 1.333 -5.491) 5.795 20.744 ( 0.744 -0.659 6.293) 6.371 20.866 ( -0.819 -0.256 -10.325) 10.361 21.211 ( -6.845 3.806 -8.854) 11.821 21.685 ( 9.060 10.891 4.593) 14.893 22.053 ( -1.334 1.184 0.662) 1.902 22.099 ( -0.302 1.466 -0.197) 1.510 22.332 ( 0.048 -4.997 -1.009) 5.098 22.523 ( 7.849 -8.771 0.275) 11.773 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -12.501 -0.000 1.409) 12.580 0.500 ( -13.276 -0.000 6.638) 14.842 0.793 ( -7.074 -0.000 -0.729) 7.111 0.875 ( -14.965 -0.000 -4.227) 15.550 0.995 ( 4.350 0.000 0.553) 4.385 1.031 ( -2.701 -0.000 -1.560) 3.119 1.224 ( -5.327 -0.000 -0.624) 5.363 1.242 ( -2.270 -0.000 3.012) 3.772 1.370 ( 3.961 0.000 -2.336) 4.599 1.455 ( -2.316 -0.000 -0.280) 2.333 1.489 ( 5.809 0.000 4.024) 7.067 1.511 ( 0.179 0.000 -0.304) 0.353 1.586 ( 3.060 0.000 3.099) 4.356 1.674 ( -0.614 -0.000 -2.969) 3.032 1.725 ( 1.544 0.000 -1.352) 2.053 1.889 ( -0.939 -0.000 0.327) 0.995 2.094 ( -6.776 -0.000 -0.101) 6.777 2.180 ( -2.023 -0.000 -1.971) 2.824 2.253 ( 0.319 0.000 1.608) 1.639 2.283 ( -3.311 -0.000 0.478) 3.346 2.391 ( 4.002 0.000 1.056) 4.139 2.479 ( 3.762 0.000 1.504) 4.051 2.563 ( 0.756 0.000 -3.123) 3.213 2.647 ( 0.402 0.000 2.306) 2.340 2.746 ( -2.525 -0.000 -1.910) 3.166 2.892 ( -4.460 -0.000 -2.085) 4.923 2.921 ( -3.362 -0.000 -6.298) 7.139 2.950 ( 1.492 0.000 5.079) 5.294 3.017 ( -6.494 -0.000 -0.244) 6.499 3.043 ( -2.433 -0.000 -0.174) 2.439 3.175 ( -4.633 -0.000 -3.297) 5.686 3.340 ( -0.502 -0.000 2.600) 2.648 3.369 ( -0.542 -0.000 -1.866) 1.943 3.416 ( -3.565 -0.000 -1.351) 3.812 3.570 ( 2.261 0.000 -4.085) 4.669 3.596 ( -4.057 -0.000 -3.444) 5.322 3.617 ( -0.046 -0.000 0.368) 0.371 3.671 ( -0.418 -0.000 6.118) 6.133 3.726 ( 1.644 0.000 -0.630) 1.761 3.776 ( -0.682 -0.000 1.593) 1.733 4.003 ( -5.564 -0.000 -3.532) 6.590 4.066 ( 8.699 0.000 10.173) 13.385 4.129 ( 0.323 0.000 -0.748) 0.815 4.157 ( 1.292 0.000 5.129) 5.289 4.271 ( -0.378 -0.000 5.345) 5.358 4.427 ( -3.443 -0.000 -4.304) 5.511 4.492 ( -0.338 -0.000 0.421) 0.540 4.513 ( 2.402 0.000 -5.008) 5.554 4.623 ( -0.967 -0.000 3.607) 3.735 4.663 ( -0.536 -0.000 -3.645) 3.684 4.724 ( -0.465 -0.000 -0.503) 0.685 5.000 ( 4.233 0.000 -4.611) 6.259 5.050 ( 5.246 0.000 -0.788) 5.305 5.192 ( 4.072 0.000 2.793) 4.938 5.215 ( 1.102 0.000 -0.158) 1.114 5.282 ( 0.794 0.000 0.767) 1.104 5.387 ( 4.621 0.000 -6.794) 8.216 5.436 ( 0.182 0.000 -1.587) 1.597 5.619 ( 2.254 0.000 2.034) 3.036 5.626 ( 1.077 0.000 1.898) 2.182 5.799 ( 0.405 0.000 2.706) 2.736 5.906 ( -0.315 -0.000 -3.284) 3.299 5.988 ( -2.101 -0.000 -5.941) 6.301 6.042 ( -2.697 -0.000 2.944) 3.993 6.465 ( -4.947 -0.000 -0.302) 4.956 6.590 ( 1.154 0.000 3.011) 3.224 8.952 ( 3.419 0.000 1.346) 3.674 8.968 ( 2.529 0.000 1.268) 2.830 9.155 ( -2.402 -0.000 2.334) 3.350 9.227 ( -1.876 -0.000 -1.885) 2.660 9.606 ( -3.005 -0.000 0.650) 3.074 9.744 ( 1.151 0.000 6.722) 6.820 9.799 ( -0.111 -0.000 -1.121) 1.127 9.889 ( 0.991 0.000 -2.190) 2.404 10.251 ( -1.039 -0.000 2.637) 2.835 10.486 ( 2.385 0.000 -9.808) 10.094 10.954 ( -0.541 -0.000 3.134) 3.180 11.030 ( -1.751 -0.000 -4.146) 4.501 20.329 ( 1.995 0.000 8.932) 9.152 20.337 ( 0.786 0.000 -0.144) 0.799 20.431 ( -0.597 -0.000 14.510) 14.522 20.681 ( 0.309 0.000 -5.187) 5.196 20.748 ( 0.863 0.000 3.902) 3.997 20.988 ( 2.633 0.000 -16.506) 16.715 21.299 ( -7.806 -0.000 -21.910) 23.259 21.906 ( 11.328 0.000 4.337) 12.130 22.087 ( 0.083 0.000 2.146) 2.147 22.152 ( 0.099 0.000 -0.094) 0.137 22.155 ( 0.511 0.000 0.112) 0.524 22.195 ( -0.106 -0.000 -2.410) 2.412 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -9.511 -6.881 2.648) 12.034 0.555 ( -11.012 -8.667 1.003) 14.049 0.745 ( -9.409 -3.653 -3.062) 10.548 0.805 ( -14.740 -12.502 4.115) 19.761 1.010 ( 0.735 0.609 -0.668) 1.165 1.053 ( 2.587 -2.478 -0.703) 3.651 1.187 ( -1.982 0.650 -0.692) 2.198 1.258 ( -1.131 -1.181 3.145) 3.544 1.380 ( 3.931 1.470 -2.140) 4.711 1.427 ( -0.574 1.766 -0.379) 1.895 1.480 ( 1.397 1.056 1.517) 2.317 1.552 ( 0.433 1.123 -1.829) 2.189 1.618 ( 3.190 0.999 3.535) 4.865 1.658 ( -0.802 -0.653 1.599) 1.905 1.721 ( -1.040 -0.278 -4.225) 4.360 1.836 ( -3.181 3.933 3.683) 6.257 2.047 ( -4.813 -0.029 -0.675) 4.860 2.138 ( -3.905 3.283 -3.274) 6.061 2.227 ( -0.914 1.253 2.761) 3.167 2.286 ( 1.439 -2.872 -2.456) 4.044 2.366 ( -1.531 2.079 3.413) 4.279 2.523 ( 5.244 -0.739 4.445) 6.915 2.624 ( -0.721 3.286 -3.544) 4.886 2.670 ( 0.459 -4.437 -4.102) 6.060 2.727 ( -2.689 -1.627 1.444) 3.459 2.815 ( -3.683 3.289 -1.618) 5.197 2.900 ( -0.591 -1.155 -1.943) 2.336 2.969 ( -0.115 -2.113 0.459) 2.165 2.998 ( -0.334 -2.209 0.125) 2.237 3.059 ( -2.988 -4.118 -0.733) 5.141 3.120 ( -3.823 0.385 -0.777) 3.920 3.194 ( -7.277 5.392 -1.114) 9.126 3.383 ( 0.688 1.759 -4.844) 5.199 3.438 ( 1.101 -1.774 -0.579) 2.167 3.544 ( -1.926 0.700 -2.397) 3.153 3.570 ( 0.844 5.519 1.484) 5.777 3.593 ( 2.029 0.100 -0.533) 2.100 3.684 ( -1.458 -1.536 1.596) 2.651 3.742 ( -1.129 -4.051 -0.398) 4.225 3.832 ( 1.462 -1.454 0.629) 2.156 3.910 ( -4.621 2.693 -1.584) 5.578 4.091 ( -2.462 4.121 1.030) 4.910 4.149 ( 1.498 1.938 1.863) 3.078 4.188 ( 7.470 -0.442 5.080) 9.045 4.295 ( -2.145 -0.619 2.311) 3.213 4.381 ( 2.560 2.367 -1.054) 3.643 4.469 ( -2.724 -0.617 -0.078) 2.794 4.536 ( 2.392 0.750 -2.558) 3.582 4.625 ( 0.322 0.480 -1.744) 1.837 4.681 ( 0.466 -3.065 7.244) 7.880 4.718 ( -1.554 -1.468 -4.719) 5.181 4.975 ( 2.960 5.168 -3.369) 6.843 5.037 ( 2.833 2.201 -2.597) 4.429 5.225 ( 1.079 -0.583 0.188) 1.241 5.242 ( 2.322 -0.579 1.937) 3.079 5.300 ( 1.408 0.167 0.256) 1.440 5.367 ( 6.919 2.104 -2.820) 7.762 5.456 ( -6.831 12.970 -0.765) 14.679 5.542 ( -2.315 -7.139 -0.233) 7.509 5.628 ( 0.736 2.488 1.739) 3.123 5.744 ( 0.209 -1.857 1.949) 2.700 5.927 ( -5.853 -1.903 -0.994) 6.235 5.951 ( 0.270 1.175 -0.292) 1.240 6.162 ( 3.776 -6.286 -5.801) 9.350 6.337 ( -2.509 4.680 -1.033) 5.410 6.576 ( -0.012 3.882 1.238) 4.074 8.975 ( 2.610 1.997 1.210) 3.502 8.992 ( 4.325 0.219 1.336) 4.532 9.117 ( -2.675 2.878 1.750) 4.301 9.203 ( -1.016 0.963 -0.871) 1.649 9.593 ( -2.697 -1.814 0.709) 3.327 9.791 ( -0.198 -3.443 3.846) 5.166 9.824 ( 0.072 -4.325 1.250) 4.503 10.060 ( 7.495 -7.485 1.348) 10.678 10.269 ( -1.233 -2.238 1.525) 2.976 10.552 ( 3.246 -11.497 -12.991) 17.649 10.958 ( -0.791 0.404 2.630) 2.776 10.996 ( -0.724 0.491 -2.930) 3.058 20.329 ( -1.788 4.160 -1.595) 4.801 20.371 ( 0.671 -0.623 1.416) 1.687 20.391 ( -4.526 8.816 15.312) 18.239 20.651 ( 1.759 -0.011 -1.587) 2.369 20.754 ( -1.578 -1.824 -2.057) 3.170 20.856 ( 0.739 4.264 -10.269) 11.143 21.162 ( -5.714 1.150 -7.010) 9.117 21.941 ( 8.070 7.415 3.773) 11.591 22.067 ( -1.865 1.999 0.791) 2.846 22.118 ( -0.430 1.201 -0.193) 1.290 22.241 ( 1.417 -5.554 -0.913) 5.804 22.396 ( 9.757 -15.480 -1.648) 18.373 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( -10.263 -0.000 7.831) 12.909 0.356 ( -15.934 -0.000 6.582) 17.240 0.486 ( -22.685 -0.000 8.146) 24.104 0.683 ( -5.915 -0.000 0.809) 5.970 1.006 ( -0.161 -0.000 -2.523) 2.528 1.056 ( 3.940 0.000 -1.694) 4.289 1.182 ( -0.636 -0.000 -0.748) 0.982 1.248 ( -2.244 -0.000 3.728) 4.351 1.428 ( 5.227 0.000 -2.823) 5.941 1.431 ( -0.433 -0.000 0.076) 0.439 1.495 ( -0.937 -0.000 -1.025) 1.389 1.598 ( 4.005 0.000 2.285) 4.611 1.647 ( -0.788 -0.000 -0.449) 0.907 1.677 ( 1.896 0.000 3.250) 3.763 1.685 ( -3.023 -0.000 -3.866) 4.908 1.874 ( -2.479 -0.000 2.236) 3.339 1.972 ( -5.350 -0.000 -0.262) 5.357 2.125 ( -0.152 -0.000 -4.557) 4.559 2.220 ( -5.029 -0.000 -3.884) 6.354 2.240 ( -1.959 -0.000 0.887) 2.151 2.430 ( 0.164 0.000 0.300) 0.341 2.544 ( 1.638 0.000 1.996) 2.582 2.583 ( 2.869 0.000 5.558) 6.255 2.636 ( -1.914 -0.000 -3.991) 4.426 2.734 ( 0.233 0.000 3.172) 3.180 2.794 ( -2.782 -0.000 -4.986) 5.709 2.842 ( 0.794 0.000 -5.234) 5.294 2.936 ( -3.246 -0.000 -0.053) 3.246 2.986 ( -0.138 -0.000 2.904) 2.907 3.002 ( -3.725 -0.000 3.445) 5.074 3.079 ( -3.860 -0.000 -0.304) 3.872 3.248 ( -3.869 -0.000 -2.161) 4.432 3.348 ( 0.941 0.000 -5.560) 5.639 3.445 ( -4.666 -0.000 -10.929) 11.884 3.456 ( 1.608 0.000 0.534) 1.694 3.571 ( -2.594 -0.000 3.029) 3.988 3.653 ( -1.137 -0.000 -1.973) 2.278 3.659 ( 3.587 0.000 1.324) 3.824 3.761 ( -0.213 -0.000 0.752) 0.782 3.770 ( -1.757 -0.000 -0.006) 1.757 3.887 ( -4.507 -0.000 -2.350) 5.083 4.112 ( -1.005 -0.000 0.629) 1.186 4.194 ( 0.115 0.000 1.227) 1.232 4.220 ( -1.510 -0.000 -5.635) 5.834 4.276 ( -3.362 -0.000 -2.071) 3.949 4.436 ( 4.643 0.000 3.907) 6.068 4.447 ( 0.538 0.000 -4.572) 4.604 4.581 ( 3.577 0.000 -0.880) 3.683 4.595 ( -11.266 -0.000 -7.034) 13.281 4.651 ( 0.854 0.000 1.981) 2.157 4.716 ( 6.781 0.000 18.498) 19.702 5.011 ( 3.611 0.000 -6.874) 7.765 5.124 ( 3.757 0.000 0.825) 3.846 5.243 ( 0.865 0.000 1.056) 1.365 5.261 ( 4.490 0.000 1.440) 4.715 5.291 ( -0.806 -0.000 1.892) 2.056 5.396 ( -2.908 -0.000 -3.162) 4.296 5.453 ( 7.869 0.000 -4.159) 8.901 5.655 ( 0.285 0.000 0.777) 0.828 5.667 ( 1.528 0.000 2.188) 2.669 5.805 ( -2.244 -0.000 -3.066) 3.799 5.839 ( -8.074 -0.000 -9.928) 12.797 5.864 ( 0.036 0.000 -4.641) 4.641 6.020 ( -3.456 -0.000 3.564) 4.964 6.381 ( -3.805 -0.000 -0.795) 3.887 6.610 ( -0.322 -0.000 -0.164) 0.361 9.037 ( 3.329 0.000 0.787) 3.421 9.040 ( 5.234 0.000 2.079) 5.632 9.160 ( -3.978 -0.000 -2.052) 4.476 9.192 ( 3.807 0.000 9.078) 9.844 9.573 ( -1.718 -0.000 0.689) 1.851 9.782 ( 0.026 0.000 -1.867) 1.867 9.860 ( 3.713 0.000 7.750) 8.593 9.892 ( 1.175 0.000 -1.120) 1.623 10.256 ( -1.259 -0.000 2.469) 2.771 10.309 ( -9.029 -0.000 -15.764) 18.167 10.962 ( -1.341 -0.000 2.171) 2.552 10.984 ( 0.002 0.000 -2.094) 2.094 20.344 ( 0.607 0.000 -1.337) 1.468 20.373 ( 0.257 0.000 0.549) 0.606 20.539 ( -24.125 -0.000 -38.898) 45.772 20.621 ( 0.868 0.000 -8.410) 8.455 20.819 ( 0.380 0.000 7.584) 7.593 20.905 ( 30.935 0.000 47.423) 56.621 21.141 ( 0.195 0.000 5.423) 5.426 22.028 ( 0.135 0.000 1.933) 1.937 22.143 ( 2.312 0.000 1.491) 2.751 22.161 ( 2.344 0.000 0.815) 2.482 22.165 ( -0.440 -0.000 -1.411) 1.478 22.167 ( 0.248 0.000 -0.630) 0.677 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 4.469 0.000 7.406) 8.650 0.467 ( 2.363 0.000 3.825) 4.496 0.651 ( -6.406 -0.000 5.322) 8.328 0.802 ( 3.713 0.000 -5.844) 6.924 0.948 ( 4.255 0.000 10.357) 11.197 1.042 ( -0.843 -0.000 -2.798) 2.922 1.127 ( -5.601 -0.000 3.892) 6.821 1.230 ( -2.281 -0.000 -1.126) 2.543 1.409 ( -0.638 -0.000 -1.612) 1.733 1.419 ( 1.348 0.000 -1.772) 2.227 1.486 ( 0.665 0.000 1.005) 1.205 1.523 ( -2.951 -0.000 -2.515) 3.877 1.547 ( -0.237 -0.000 0.904) 0.935 1.609 ( 3.332 0.000 -5.786) 6.677 1.771 ( 1.901 0.000 3.130) 3.662 1.819 ( -1.784 -0.000 -2.113) 2.765 2.072 ( -6.043 -0.000 1.275) 6.176 2.092 ( 5.217 0.000 -0.988) 5.310 2.256 ( -0.348 -0.000 1.366) 1.409 2.261 ( -0.044 -0.000 1.380) 1.381 2.500 ( -2.916 -0.000 -0.713) 3.002 2.531 ( 4.659 0.000 -2.638) 5.354 2.589 ( -3.644 -0.000 2.974) 4.703 2.660 ( 4.146 0.000 -4.273) 5.954 2.774 ( 6.026 0.000 1.503) 6.210 2.777 ( -2.811 -0.000 1.039) 2.997 2.898 ( 4.221 0.000 2.829) 5.081 2.919 ( -1.725 -0.000 1.228) 2.118 3.030 ( -2.695 -0.000 -0.049) 2.695 3.042 ( 0.743 0.000 -0.566) 0.934 3.151 ( 1.335 0.000 4.582) 4.773 3.179 ( -5.752 -0.000 0.241) 5.757 3.196 ( 5.128 0.000 -0.786) 5.188 3.281 ( 1.129 0.000 -8.282) 8.359 3.416 ( -2.836 -0.000 -0.595) 2.898 3.440 ( 0.778 0.000 -3.153) 3.248 3.617 ( 0.980 0.000 -1.201) 1.550 3.623 ( -1.573 -0.000 -1.639) 2.272 3.668 ( 0.607 0.000 -1.142) 1.293 3.682 ( -2.779 -0.000 -2.306) 3.611 3.976 ( 7.342 0.000 5.180) 8.985 4.029 ( -4.521 -0.000 0.852) 4.601 4.179 ( 1.398 0.000 1.852) 2.320 4.206 ( -1.138 -0.000 -0.985) 1.505 4.231 ( -8.110 -0.000 1.062) 8.179 4.303 ( 3.121 0.000 -5.684) 6.484 4.400 ( -0.451 -0.000 7.001) 7.015 4.537 ( 1.464 0.000 -5.624) 5.812 4.773 ( 1.690 0.000 5.525) 5.778 4.817 ( -0.627 -0.000 2.845) 2.913 4.892 ( 4.347 0.000 -1.893) 4.741 4.938 ( 0.186 0.000 -2.814) 2.820 5.213 ( -2.848 -0.000 -1.860) 3.402 5.228 ( 0.021 0.000 -2.319) 2.319 5.320 ( -0.115 -0.000 4.566) 4.567 5.346 ( 0.080 0.000 1.584) 1.586 5.410 ( -1.618 -0.000 2.538) 3.010 5.469 ( 3.765 0.000 -3.185) 4.931 5.603 ( -0.817 -0.000 -0.353) 0.890 5.611 ( -0.673 -0.000 -1.652) 1.784 5.695 ( -1.543 -0.000 1.978) 2.508 5.756 ( 2.118 0.000 -3.858) 4.401 5.968 ( 6.492 0.000 4.352) 7.816 6.017 ( -4.556 -0.000 -0.561) 4.590 6.422 ( 1.709 0.000 3.625) 4.007 6.503 ( -2.344 -0.000 -4.476) 5.052 9.048 ( 0.917 0.000 -0.362) 0.986 9.049 ( -2.456 -0.000 -0.499) 2.506 9.202 ( 4.341 0.000 2.253) 4.890 9.236 ( -4.481 -0.000 -1.326) 4.673 9.584 ( 0.121 0.000 1.558) 1.563 9.621 ( -1.904 -0.000 -2.332) 3.011 9.866 ( -1.415 -0.000 1.803) 2.292 9.893 ( 1.595 0.000 -0.998) 1.882 10.305 ( -3.724 -0.000 3.562) 5.153 10.380 ( 7.148 0.000 -3.950) 8.167 10.975 ( -3.285 -0.000 1.252) 3.515 10.993 ( 3.849 0.000 -0.570) 3.891 20.138 ( -3.400 -0.000 5.299) 6.296 20.248 ( 1.174 0.000 -5.610) 5.731 20.405 ( -0.438 -0.000 1.840) 1.891 20.456 ( 0.776 0.000 -3.868) 3.945 21.005 ( -0.042 -0.000 4.838) 4.838 21.074 ( 0.145 0.000 -2.485) 2.489 22.023 ( -4.878 -0.000 0.879) 4.957 22.048 ( 8.320 0.000 -1.667) 8.486 22.162 ( 2.362 0.000 0.196) 2.370 22.164 ( -0.412 -0.000 0.083) 0.421 22.196 ( -4.591 -0.000 0.493) 4.617 22.200 ( 6.706 0.000 0.153) 6.707 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 4.474 -4.257 1.588) 6.377 0.541 ( 5.907 -4.422 -1.922) 7.625 0.702 ( 0.272 -5.968 9.626) 11.329 0.828 ( 3.207 -2.207 -8.900) 9.714 1.012 ( -2.198 -1.154 -1.673) 2.994 1.036 ( 1.582 -0.633 -0.582) 1.801 1.154 ( 0.027 -2.610 10.301) 10.626 1.235 ( 1.469 -1.310 -0.370) 2.003 1.405 ( -1.037 -0.888 0.326) 1.403 1.447 ( 2.688 -2.086 -0.661) 3.466 1.476 ( -2.839 -0.374 1.676) 3.318 1.480 ( -5.045 -0.554 -1.541) 5.305 1.535 ( 1.222 2.433 -0.914) 2.872 1.631 ( 6.787 -0.049 -2.508) 7.236 1.787 ( -1.481 0.430 -1.911) 2.455 1.816 ( 3.892 0.092 2.385) 4.565 2.058 ( -3.702 -1.453 0.462) 4.004 2.133 ( 4.421 1.530 0.512) 4.706 2.223 ( -3.593 2.557 -0.124) 4.412 2.235 ( -0.974 0.637 0.509) 1.271 2.426 ( -0.379 4.719 1.261) 4.899 2.447 ( 0.664 1.207 -2.043) 2.464 2.636 ( -1.029 -0.307 -1.543) 1.880 2.689 ( 5.192 0.358 -0.433) 5.223 2.731 ( -2.887 2.769 1.293) 4.204 2.816 ( 4.187 4.893 -2.421) 6.880 2.891 ( -2.441 -2.183 3.894) 5.087 2.956 ( 0.322 -0.092 -3.620) 3.636 3.004 ( 0.624 3.481 3.380) 4.892 3.037 ( -0.096 -4.113 1.045) 4.245 3.150 ( -2.727 -3.941 -4.626) 6.661 3.198 ( 0.741 0.103 -0.281) 0.799 3.268 ( 6.134 -3.531 3.162) 7.751 3.296 ( 1.194 -1.576 -5.204) 5.567 3.442 ( -3.706 -4.948 -1.722) 6.417 3.492 ( 3.859 -4.192 1.383) 5.863 3.598 ( -2.254 0.951 0.419) 2.483 3.626 ( -0.037 -1.103 -0.398) 1.173 3.673 ( 0.453 -0.199 -1.310) 1.400 3.694 ( 3.785 -1.001 -0.427) 3.938 3.936 ( -5.500 3.961 -2.230) 7.135 4.007 ( 5.986 4.565 3.191) 8.177 4.122 ( -1.788 2.241 2.709) 3.944 4.164 ( 1.025 1.876 -0.603) 2.221 4.277 ( -6.552 -5.445 1.116) 8.592 4.382 ( 3.809 -2.138 0.811) 4.443 4.437 ( 2.376 -0.716 4.030) 4.733 4.534 ( 4.270 -1.570 -7.001) 8.350 4.777 ( -1.025 2.135 3.367) 4.116 4.804 ( -1.804 0.938 -1.365) 2.449 4.871 ( -0.263 3.781 -1.898) 4.239 4.916 ( 3.598 1.183 -2.219) 4.390 5.167 ( -4.898 1.253 0.664) 5.099 5.193 ( -3.109 2.529 -0.912) 4.110 5.284 ( -2.013 3.925 0.424) 4.432 5.299 ( 2.774 5.316 3.649) 7.020 5.443 ( -0.102 0.586 -0.744) 0.952 5.455 ( -3.008 -0.494 -3.199) 4.419 5.505 ( -2.565 5.414 4.763) 7.654 5.613 ( 2.255 -2.040 -2.697) 4.064 5.779 ( 0.357 -7.545 4.032) 8.563 5.826 ( 1.691 -3.776 -3.785) 5.607 5.975 ( -4.463 -0.102 -1.544) 4.723 6.065 ( 7.146 -3.200 0.185) 7.832 6.416 ( -0.976 4.041 -0.332) 4.171 6.429 ( 0.739 3.830 -0.008) 3.901 9.012 ( -2.847 1.426 0.683) 3.257 9.051 ( 0.507 0.445 -0.134) 0.688 9.140 ( -3.195 4.706 0.151) 5.690 9.196 ( 3.131 4.391 0.311) 5.402 9.634 ( 0.387 -3.533 2.725) 4.478 9.656 ( -0.076 -4.914 -1.980) 5.299 9.940 ( -2.337 -8.002 4.485) 9.467 10.012 ( 1.213 -9.674 -3.362) 10.313 10.295 ( -4.214 -1.472 2.539) 5.135 10.425 ( 5.440 -2.522 -6.098) 8.552 10.948 ( -3.253 0.449 0.747) 3.368 11.016 ( 3.824 0.695 -0.772) 3.962 20.169 ( -1.506 -2.684 6.107) 6.838 20.255 ( 1.644 -1.772 -4.562) 5.163 20.398 ( -1.181 1.092 1.864) 2.462 20.444 ( 1.150 0.166 -3.324) 3.521 20.991 ( -1.102 3.074 3.725) 4.954 21.040 ( 1.046 2.367 -2.217) 3.407 21.819 ( -12.140 14.057 -5.914) 19.492 21.940 ( 8.108 16.988 5.452) 19.597 22.068 ( -0.223 1.716 0.429) 1.782 22.074 ( 0.115 0.614 -0.836) 1.043 22.341 ( -0.971 -8.998 2.822) 9.480 22.384 ( -1.577 -8.145 -5.202) 9.792 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 4.478 -6.700 -1.864) 8.272 0.701 ( 7.484 -6.034 0.737) 9.642 0.838 ( -0.228 -4.576 -10.169) 11.154 0.875 ( 2.247 -6.052 6.877) 9.433 1.019 ( 0.030 0.376 -1.857) 1.895 1.045 ( -0.778 -1.960 0.304) 2.131 1.217 ( 1.773 -0.308 4.745) 5.075 1.286 ( 2.890 -1.835 -0.167) 3.428 1.408 ( -2.975 -1.036 0.037) 3.150 1.458 ( -4.050 -1.060 0.079) 4.187 1.474 ( -0.540 -1.633 -2.425) 2.973 1.521 ( -0.656 -2.058 3.714) 4.296 1.542 ( 2.306 -4.254 -0.017) 4.839 1.663 ( 3.507 0.723 -0.207) 3.586 1.768 ( 0.525 0.627 -1.933) 2.099 1.835 ( 4.124 3.561 1.797) 5.737 2.000 ( -2.544 4.449 -1.298) 5.287 2.103 ( 2.132 3.866 0.399) 4.433 2.175 ( -3.219 -2.684 1.540) 4.465 2.282 ( 1.957 -1.785 0.911) 2.801 2.406 ( 1.487 -0.425 2.828) 3.223 2.488 ( 3.442 -3.879 -1.271) 5.339 2.614 ( 1.376 3.046 -2.386) 4.107 2.646 ( -1.232 4.492 -1.289) 4.833 2.669 ( 2.863 4.938 0.365) 5.719 2.740 ( 3.503 3.132 2.941) 5.544 2.892 ( -5.830 -0.609 -0.662) 5.899 2.962 ( -2.047 -2.428 -2.173) 3.848 3.014 ( 1.459 -1.387 4.908) 5.305 3.093 ( -5.306 -2.993 -0.037) 6.092 3.179 ( 2.916 -0.859 -3.763) 4.838 3.209 ( -2.293 -2.350 -0.980) 3.427 3.314 ( 2.448 -3.102 -4.611) 6.072 3.396 ( 8.208 -1.747 3.076) 8.938 3.476 ( -2.230 -2.740 -2.538) 4.350 3.545 ( -4.601 2.277 2.081) 5.539 3.589 ( 2.850 -0.269 2.167) 3.591 3.643 ( 0.060 2.083 -0.141) 2.089 3.659 ( -0.547 -2.602 -0.627) 2.731 3.758 ( 5.101 -1.052 1.892) 5.541 3.850 ( -0.579 0.081 -3.481) 3.530 3.984 ( 3.898 4.664 5.532) 8.219 4.099 ( -1.600 0.102 0.732) 1.763 4.182 ( 2.561 -1.586 2.466) 3.893 4.287 ( -6.891 -2.577 -1.547) 7.518 4.405 ( -0.464 2.970 1.556) 3.385 4.443 ( 5.188 1.889 -2.624) 6.113 4.599 ( 5.527 -0.586 -2.747) 6.199 4.734 ( -2.109 0.459 -3.565) 4.167 4.745 ( -0.953 3.727 0.817) 3.933 4.820 ( -1.617 0.352 0.349) 1.692 4.906 ( 1.370 0.866 -3.730) 4.067 5.091 ( -3.946 5.059 2.990) 7.079 5.110 ( -4.084 0.604 0.018) 4.129 5.215 ( 2.455 6.528 -1.028) 7.050 5.244 ( 1.212 1.648 0.276) 2.064 5.335 ( -3.408 6.210 2.102) 7.389 5.410 ( 1.134 3.768 -2.480) 4.652 5.502 ( -4.947 -3.597 1.667) 6.340 5.668 ( 1.999 -1.772 -0.575) 2.732 5.858 ( 0.331 -1.330 -1.379) 1.944 5.946 ( 0.884 -7.657 3.652) 8.529 5.957 ( -3.697 -2.984 0.779) 4.814 6.165 ( 4.986 -1.884 -3.303) 6.271 6.307 ( -2.428 2.701 -3.547) 5.077 6.382 ( 2.069 5.222 2.448) 6.128 8.967 ( -2.738 1.431 0.570) 3.142 9.028 ( -3.356 1.085 0.911) 3.642 9.065 ( 1.977 3.364 0.221) 3.908 9.144 ( 2.560 3.516 -1.130) 4.494 9.703 ( -0.551 -4.476 -0.472) 4.534 9.759 ( 1.833 -5.339 2.284) 6.089 10.045 ( -4.127 -2.545 5.366) 7.232 10.114 ( 0.660 -1.649 -2.469) 3.042 10.356 ( -2.907 -9.622 -0.042) 10.052 10.528 ( 4.002 -7.676 -4.043) 9.554 10.912 ( -3.085 1.226 0.819) 3.419 11.022 ( 3.330 1.620 -1.124) 3.870 20.233 ( -1.074 -2.674 1.695) 3.343 20.281 ( 1.289 -0.453 2.252) 2.634 20.379 ( -1.437 0.024 1.218) 1.884 20.449 ( 2.089 -1.296 -2.720) 3.666 20.943 ( -1.531 1.612 0.465) 2.272 21.010 ( 2.181 2.119 -0.065) 3.041 21.434 ( -11.328 12.270 -12.117) 20.633 21.729 ( 4.874 17.326 6.931) 19.287 22.050 ( -0.172 0.951 0.736) 1.215 22.063 ( 0.734 0.747 -0.740) 1.282 22.430 ( -4.389 -4.765 -2.062) 6.798 22.500 ( -0.276 -6.936 1.517) 7.106 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 2.310 -3.493 1.645) 4.499 0.825 ( 3.851 -3.601 -2.523) 5.845 0.875 ( -0.305 -3.334 -5.316) 6.282 0.982 ( 0.179 0.693 0.027) 0.717 1.016 ( 2.740 -3.135 2.760) 4.995 1.082 ( -0.641 -2.964 -1.048) 3.208 1.276 ( 3.020 -2.691 2.145) 4.579 1.332 ( 3.709 -0.555 0.623) 3.802 1.391 ( -3.156 0.050 -1.453) 3.475 1.443 ( -3.914 -1.433 0.236) 4.175 1.501 ( -1.413 -2.375 -2.927) 4.026 1.558 ( -1.791 -2.355 0.544) 3.009 1.647 ( 1.202 -4.439 2.155) 5.078 1.680 ( 0.854 -1.337 -0.343) 1.623 1.733 ( 0.731 3.655 -1.824) 4.150 1.780 ( 2.722 4.909 1.740) 5.876 1.906 ( -2.198 2.895 -0.910) 3.747 2.067 ( 2.785 3.983 1.664) 5.137 2.220 ( -0.577 -2.367 2.089) 3.209 2.315 ( 1.683 -0.405 -0.737) 1.881 2.443 ( -1.978 1.435 0.630) 2.523 2.513 ( 2.471 2.940 -1.917) 4.292 2.525 ( 0.890 2.282 0.948) 2.627 2.638 ( 2.572 -3.826 2.753) 5.369 2.677 ( 2.291 -0.498 0.774) 2.469 2.782 ( 4.440 0.342 2.703) 5.210 2.853 ( -3.779 -1.736 -0.458) 4.184 2.969 ( -2.506 -1.116 -1.721) 3.238 3.063 ( -2.552 -2.049 3.121) 4.522 3.090 ( -3.063 -2.686 0.137) 4.076 3.188 ( -1.965 -1.272 1.167) 2.616 3.237 ( 3.409 0.029 -0.703) 3.481 3.367 ( 0.870 -2.584 -2.927) 4.000 3.443 ( 0.922 1.539 -1.623) 2.419 3.474 ( -0.008 1.958 0.961) 2.181 3.493 ( -2.132 0.542 -1.358) 2.585 3.546 ( 1.310 3.011 -2.036) 3.863 3.643 ( 0.539 -1.244 -0.446) 1.428 3.725 ( 0.483 -3.381 4.140) 5.367 3.804 ( 3.057 0.899 2.831) 4.262 3.895 ( 4.304 -3.779 -1.524) 5.927 3.971 ( 2.032 2.258 5.166) 5.993 4.086 ( -1.647 -0.177 -1.998) 2.595 4.224 ( -3.248 1.723 3.192) 4.869 4.253 ( -2.939 0.380 -1.805) 3.470 4.334 ( -0.043 1.893 -2.336) 3.007 4.424 ( 4.279 2.026 -4.149) 6.295 4.591 ( -1.283 2.507 -1.685) 3.282 4.671 ( 2.597 2.167 -0.566) 3.429 4.740 ( 3.678 0.730 -4.024) 5.500 4.817 ( -3.177 -2.499 0.537) 4.078 4.903 ( -0.202 -1.085 -0.361) 1.161 4.983 ( -4.078 5.971 4.814) 8.687 5.069 ( -1.428 1.076 -2.228) 2.857 5.173 ( 3.833 0.659 -3.274) 5.084 5.206 ( -3.214 3.634 0.659) 4.896 5.251 ( 1.636 1.430 2.157) 3.062 5.338 ( -0.818 3.078 -3.650) 4.844 5.541 ( -2.737 -3.767 3.740) 5.972 5.679 ( 2.791 2.607 0.932) 3.931 5.877 ( -0.743 -1.711 0.036) 1.866 6.020 ( -4.807 -4.932 1.427) 7.033 6.044 ( 0.459 -2.262 -0.308) 2.328 6.167 ( 1.075 0.707 3.942) 4.147 6.299 ( 2.533 0.117 -4.047) 4.775 6.309 ( 0.149 2.551 -2.232) 3.393 8.930 ( -1.863 0.738 0.335) 2.031 8.990 ( -2.148 1.083 0.703) 2.506 9.039 ( 1.019 1.625 1.144) 2.234 9.117 ( 2.641 1.554 -1.750) 3.529 9.778 ( 0.377 -4.378 -0.134) 4.397 9.872 ( 1.302 -4.823 2.820) 5.737 10.011 ( -4.334 3.205 2.986) 6.162 10.091 ( 0.484 2.637 -2.219) 3.480 10.532 ( -0.064 -11.157 -1.689) 11.285 10.670 ( 0.801 -5.849 -0.778) 5.954 10.866 ( -2.536 1.589 2.166) 3.694 11.002 ( 2.731 2.805 -1.885) 4.345 20.241 ( -0.518 0.225 0.060) 0.568 20.306 ( 0.902 0.316 1.735) 1.981 20.388 ( -2.117 -1.717 2.227) 3.519 20.502 ( 2.383 -2.752 -0.606) 3.690 20.896 ( -2.872 2.756 -2.595) 4.752 21.001 ( 1.489 0.820 0.107) 1.703 21.195 ( -3.770 1.137 -8.770) 9.614 21.499 ( 1.517 15.114 5.245) 16.070 22.038 ( -0.139 0.575 0.367) 0.696 22.054 ( 0.614 0.675 -0.504) 1.042 22.458 ( -3.338 -2.924 -0.813) 4.511 22.592 ( 0.282 -3.226 1.173) 3.445 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -1.668 3.169 3.918) 5.308 0.874 ( 1.253 -2.082 -5.273) 5.806 0.914 ( 0.134 -1.437 -1.258) 1.915 0.949 ( -0.561 1.885 -0.045) 1.967 1.075 ( 1.433 0.668 2.521) 2.976 1.122 ( -0.657 -2.045 -1.700) 2.739 1.323 ( -0.262 -0.039 0.809) 0.851 1.345 ( 0.390 1.394 -2.028) 2.491 1.408 ( 2.350 -2.879 2.149) 4.293 1.434 ( -1.095 1.655 -0.516) 2.050 1.475 ( -1.450 0.830 -1.879) 2.514 1.570 ( 0.469 1.133 0.062) 1.227 1.671 ( -1.710 -0.283 -1.005) 2.003 1.692 ( -0.326 0.497 0.249) 0.645 1.705 ( 0.796 -0.827 -0.563) 1.279 1.783 ( 0.143 -2.453 -0.070) 2.458 1.892 ( -0.477 -0.542 1.373) 1.551 2.013 ( 0.577 3.423 2.457) 4.253 2.248 ( 0.246 -1.022 1.269) 1.648 2.321 ( -0.200 0.456 0.784) 0.929 2.360 ( -1.715 1.690 -2.608) 3.550 2.520 ( 0.358 -0.489 0.721) 0.942 2.538 ( -0.715 -1.404 0.903) 1.816 2.679 ( 2.644 2.848 2.220) 4.475 2.741 ( -0.555 -4.009 1.723) 4.399 2.801 ( -1.162 -1.196 2.087) 2.672 2.873 ( 3.274 1.502 -1.507) 3.904 2.926 ( -3.403 0.503 -2.548) 4.281 3.089 ( -2.562 -0.822 3.259) 4.226 3.137 ( 0.562 -2.228 0.001) 2.298 3.207 ( -3.159 -2.688 1.092) 4.289 3.240 ( 2.402 2.295 1.191) 3.529 3.380 ( -3.044 -1.511 -2.275) 4.090 3.420 ( 0.998 3.701 0.186) 3.838 3.437 ( 1.554 -1.057 -0.169) 1.887 3.448 ( -2.889 1.585 0.025) 3.295 3.528 ( 1.356 -0.698 -2.114) 2.606 3.658 ( 0.912 0.517 -1.884) 2.156 3.786 ( -1.969 -0.980 3.191) 3.876 3.830 ( 2.487 -1.006 3.279) 4.236 3.980 ( 0.746 -1.850 -2.236) 2.996 4.007 ( 3.032 -2.207 1.107) 3.911 4.052 ( -0.562 1.677 0.955) 2.010 4.132 ( -2.992 1.037 -0.710) 3.245 4.205 ( 0.620 1.329 -4.665) 4.890 4.342 ( 0.876 -0.407 1.204) 1.544 4.451 ( 1.460 -1.388 -2.244) 3.016 4.496 ( -1.225 2.522 -0.779) 2.910 4.691 ( 2.126 1.284 0.509) 2.536 4.707 ( -0.402 1.338 -4.407) 4.623 4.865 ( -0.186 2.351 4.614) 5.181 4.892 ( -0.782 -1.535 1.502) 2.286 4.917 ( 0.897 -0.442 0.030) 1.000 5.058 ( -0.833 -1.357 -1.375) 2.104 5.149 ( -1.732 -0.929 0.563) 2.045 5.177 ( 3.810 0.332 -5.033) 6.321 5.258 ( -0.213 0.817 -2.352) 2.499 5.292 ( 0.251 -0.126 0.561) 0.627 5.618 ( -2.992 -5.575 3.779) 7.370 5.645 ( 3.352 4.410 0.914) 5.614 5.904 ( -0.059 -1.341 1.246) 1.832 5.969 ( -1.079 3.198 -4.121) 5.327 6.109 ( -5.379 -1.798 8.686) 10.374 6.205 ( 4.500 1.896 1.696) 5.169 6.234 ( -0.940 0.945 0.387) 1.388 6.328 ( 1.473 -2.918 -9.122) 9.690 8.919 ( -0.296 -0.305 0.372) 0.565 8.967 ( -0.056 0.490 0.339) 0.599 9.036 ( -1.113 -0.500 1.552) 1.975 9.111 ( 2.062 0.461 -2.059) 2.950 9.827 ( -1.642 0.619 1.376) 2.230 9.951 ( -0.463 -0.707 2.801) 2.925 9.970 ( 1.094 -3.498 0.919) 3.779 10.026 ( 0.625 4.152 -2.227) 4.753 10.655 ( -2.205 4.133 0.816) 4.755 10.688 ( 0.469 -4.863 -3.054) 5.761 10.885 ( -0.647 -3.370 3.365) 4.806 10.959 ( 2.302 2.927 -3.181) 4.897 20.239 ( -0.320 -0.128 0.848) 0.916 20.309 ( 0.640 -0.373 -1.169) 1.384 20.410 ( -2.294 -1.372 2.323) 3.541 20.547 ( 1.649 -0.764 -0.970) 2.060 20.804 ( -1.783 2.928 -0.569) 3.475 21.005 ( 0.547 -0.273 -0.293) 0.678 21.168 ( -0.210 4.422 -2.002) 4.859 21.373 ( 1.149 -2.467 1.773) 3.248 22.035 ( -0.085 -0.266 -0.051) 0.284 22.048 ( 0.142 0.056 -0.341) 0.374 22.461 ( -1.532 0.484 0.881) 1.833 22.632 ( 1.621 -0.651 -0.584) 1.842 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -1.980 4.767 5.991) 7.908 0.802 ( -4.629 7.391 -1.387) 8.830 0.862 ( -2.460 4.119 -1.368) 4.989 0.973 ( 0.380 -2.747 -0.679) 2.855 1.064 ( 0.348 1.525 -0.056) 1.565 1.100 ( -0.311 1.875 -3.465) 3.952 1.297 ( -1.882 1.755 -0.056) 2.574 1.331 ( -4.427 1.488 0.574) 4.705 1.371 ( 3.092 0.678 0.550) 3.213 1.444 ( 2.832 2.356 0.419) 3.708 1.466 ( 1.642 1.434 -0.141) 2.185 1.562 ( 2.057 0.026 0.169) 2.064 1.656 ( -0.939 3.648 -0.248) 3.775 1.679 ( -0.220 0.904 1.055) 1.406 1.722 ( -3.058 -1.959 -0.211) 3.638 1.808 ( -1.094 0.203 -0.795) 1.367 1.879 ( 0.785 -4.130 1.200) 4.372 2.053 ( -3.437 -4.175 3.597) 6.495 2.257 ( -1.409 0.555 -1.545) 2.163 2.309 ( 0.483 1.018 0.207) 1.146 2.380 ( -1.389 -5.040 4.536) 6.922 2.510 ( 0.610 1.618 -2.232) 2.823 2.567 ( -0.770 -3.108 -0.458) 3.235 2.650 ( 1.201 3.674 0.794) 3.946 2.721 ( -7.578 1.197 -3.267) 8.338 2.811 ( -0.268 -0.441 -0.401) 0.653 2.864 ( 2.863 1.271 0.182) 3.137 2.929 ( -0.588 -2.688 0.697) 2.839 3.057 ( 0.072 3.869 0.881) 3.969 3.147 ( 2.792 1.005 -2.401) 3.817 3.187 ( -6.218 1.687 1.974) 6.739 3.241 ( 1.363 1.079 1.966) 2.625 3.337 ( -1.171 3.452 -4.314) 5.648 3.395 ( -2.804 -3.178 2.136) 4.746 3.441 ( -1.029 -0.553 2.998) 3.217 3.490 ( 3.038 -2.138 0.523) 3.752 3.557 ( 2.081 -1.606 -1.820) 3.197 3.640 ( -1.103 -0.267 -0.694) 1.330 3.772 ( -1.478 1.584 -0.020) 2.166 3.852 ( -4.093 -1.219 -2.386) 4.892 3.928 ( -2.111 3.686 -4.448) 6.151 4.010 ( -1.643 -1.798 1.616) 2.923 4.101 ( -0.278 -2.477 1.688) 3.010 4.184 ( 4.086 -1.543 -1.440) 4.599 4.258 ( 8.596 -6.538 1.257) 10.873 4.332 ( -2.178 1.413 0.590) 2.663 4.390 ( -2.685 1.826 -2.734) 4.245 4.567 ( 4.682 -3.461 1.183) 5.941 4.639 ( -2.733 2.297 1.221) 3.773 4.682 ( -0.989 0.353 -0.800) 1.320 4.804 ( -1.303 3.174 2.857) 4.465 4.926 ( 0.210 -0.832 -1.267) 1.531 4.976 ( 3.465 -0.900 5.059) 6.198 5.096 ( 1.073 -5.333 -3.963) 6.731 5.186 ( 2.815 -0.941 -4.637) 5.505 5.227 ( -1.932 -3.627 3.392) 5.329 5.238 ( 1.943 -3.148 -3.456) 5.063 5.302 ( 0.352 -0.424 0.497) 0.742 5.600 ( 3.003 3.494 -1.137) 4.745 5.688 ( -4.782 -3.758 0.782) 6.132 5.883 ( 0.478 3.782 -0.992) 3.939 5.943 ( 2.618 0.252 3.929) 4.727 6.079 ( -7.164 2.813 4.125) 8.732 6.142 ( 0.834 4.268 1.769) 4.694 6.286 ( 5.685 -0.407 -3.498) 6.687 6.359 ( -1.928 -5.610 -4.957) 7.731 8.934 ( 1.417 -0.799 0.012) 1.627 8.984 ( 1.411 -1.386 1.019) 2.225 9.047 ( -2.493 -1.689 1.014) 3.178 9.116 ( 0.838 -0.732 -2.079) 2.358 9.754 ( -2.761 4.641 1.804) 5.694 9.938 ( 0.233 4.892 -2.971) 5.729 10.014 ( 0.443 -2.067 4.789) 5.235 10.051 ( 3.319 -3.711 -0.534) 5.007 10.500 ( -2.146 9.830 0.770) 10.091 10.704 ( 0.734 3.843 -3.428) 5.202 10.928 ( 2.457 0.077 -3.880) 4.593 10.955 ( -1.529 -2.963 2.747) 4.320 20.236 ( -0.878 0.517 0.621) 1.193 20.328 ( -0.976 -2.380 -1.301) 2.883 20.413 ( -1.314 -0.228 0.539) 1.439 20.547 ( 0.792 0.928 -4.248) 4.420 20.791 ( 1.950 0.011 6.166) 6.467 21.019 ( 1.486 -0.703 0.751) 1.807 21.054 ( -1.059 4.712 3.291) 5.844 21.560 ( 1.772 -14.162 -1.171) 14.321 22.040 ( -0.518 -0.505 0.242) 0.763 22.055 ( -0.060 -1.101 -0.735) 1.325 22.426 ( 0.498 3.631 1.949) 4.152 22.634 ( 2.999 2.200 -2.439) 4.448 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -6.279 9.308 2.772) 11.565 0.640 ( -2.476 7.138 8.748) 11.559 0.713 ( -6.019 6.162 -1.171) 8.692 0.979 ( -0.759 2.912 -2.538) 3.936 1.041 ( 0.590 -0.089 -4.337) 4.378 1.060 ( 2.552 2.528 -1.118) 3.763 1.228 ( -3.022 5.546 3.875) 7.410 1.282 ( -4.079 -0.965 0.254) 4.199 1.398 ( 4.281 1.292 0.996) 4.582 1.422 ( 1.439 1.254 0.644) 2.015 1.478 ( 1.544 -1.332 -0.349) 2.068 1.523 ( -3.308 5.314 0.303) 6.267 1.581 ( 0.978 0.241 -1.201) 1.567 1.672 ( -3.324 -0.959 -0.772) 3.545 1.735 ( 0.051 0.018 1.410) 1.411 1.837 ( -3.038 -3.741 1.873) 5.171 1.982 ( 1.013 -5.708 0.522) 5.820 2.074 ( -2.881 -0.108 2.302) 3.690 2.223 ( -0.334 1.129 -1.817) 2.165 2.292 ( 0.165 0.719 -1.046) 1.280 2.435 ( -3.118 0.314 2.996) 4.336 2.503 ( 0.379 0.095 -3.732) 3.752 2.602 ( -2.706 0.562 -0.983) 2.933 2.624 ( 0.484 -3.569 0.454) 3.630 2.649 ( -1.860 -3.102 -0.240) 3.625 2.802 ( -4.341 -1.313 -2.017) 4.964 2.867 ( 3.572 2.239 1.057) 4.346 2.968 ( 4.451 0.464 -2.247) 5.008 3.041 ( 2.637 -0.454 2.931) 3.969 3.098 ( -5.752 3.686 3.779) 7.807 3.120 ( -0.708 2.302 -2.557) 3.512 3.214 ( -1.433 3.666 4.035) 5.637 3.253 ( 3.538 3.512 -5.063) 7.106 3.433 ( -2.477 0.285 0.411) 2.527 3.453 ( -2.689 -3.092 -1.029) 4.224 3.554 ( -0.197 -3.017 2.689) 4.046 3.596 ( 3.286 -1.134 -2.441) 4.248 3.660 ( 2.774 -1.052 0.444) 2.999 3.705 ( -1.832 2.899 -4.145) 5.379 3.810 ( -5.687 0.120 -1.974) 6.021 3.838 ( -3.498 0.949 -4.110) 5.480 4.039 ( -1.821 -2.091 1.598) 3.201 4.141 ( -0.016 -1.961 -0.924) 2.168 4.235 ( 0.439 0.202 -4.317) 4.344 4.269 ( 0.119 2.464 -0.165) 2.472 4.328 ( -1.673 -0.790 2.549) 3.150 4.464 ( 4.655 -5.007 -0.442) 6.851 4.606 ( 2.360 1.857 4.699) 5.577 4.626 ( -4.835 -0.604 -2.458) 5.457 4.710 ( 3.398 -4.224 4.289) 6.913 4.778 ( 0.835 1.257 3.892) 4.175 4.929 ( 0.467 -0.342 -4.156) 4.196 5.053 ( 4.044 -2.543 6.671) 8.205 5.182 ( 3.198 -3.246 -5.019) 6.779 5.211 ( -0.641 -4.275 -3.228) 5.395 5.238 ( -2.780 -3.313 0.975) 4.433 5.329 ( 0.046 -1.642 3.562) 3.923 5.370 ( 2.970 -5.239 0.007) 6.023 5.573 ( 2.791 1.153 -3.751) 4.815 5.659 ( -1.302 3.457 0.626) 3.747 5.829 ( -2.594 2.844 1.485) 4.126 5.959 ( -2.892 4.907 -0.174) 5.698 5.967 ( 2.391 2.544 2.289) 4.175 6.109 ( -1.724 1.258 1.859) 2.830 6.301 ( 4.767 0.063 -3.407) 5.860 6.437 ( -2.702 -6.725 -2.724) 7.742 8.973 ( 2.560 -1.836 -0.024) 3.151 9.036 ( 3.209 -1.677 0.726) 3.693 9.061 ( -3.244 -2.619 0.515) 4.200 9.137 ( -0.965 -2.926 -0.968) 3.229 9.666 ( -1.488 4.365 2.157) 5.091 9.835 ( -0.704 5.045 -3.910) 6.422 10.025 ( -1.284 3.714 5.741) 6.957 10.134 ( 3.401 -1.772 -2.479) 4.567 10.338 ( 1.291 7.399 0.831) 7.556 10.549 ( 0.178 11.249 -5.734) 12.627 10.940 ( 2.300 -0.517 -2.181) 3.211 10.988 ( -2.436 -1.503 2.166) 3.589 20.212 ( -2.847 1.080 1.358) 3.334 20.343 ( -1.997 -1.024 -1.537) 2.720 20.413 ( -1.139 -0.203 0.558) 1.285 20.481 ( 0.993 2.761 -8.732) 9.211 20.864 ( 1.352 -2.036 7.631) 8.013 21.037 ( -2.195 -2.464 -1.371) 3.573 21.154 ( 11.764 -7.835 15.799) 21.198 21.815 ( -0.761 -15.076 -2.279) 15.266 22.046 ( -0.945 -0.604 0.857) 1.412 22.071 ( -0.067 -1.243 -1.194) 1.724 22.371 ( 2.356 5.188 2.738) 6.322 22.572 ( 3.606 6.731 -4.545) 8.886 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -4.354 6.351 6.620) 10.155 0.510 ( -0.680 8.044 6.063) 10.096 0.647 ( -4.682 -1.163 6.628) 8.198 0.875 ( -0.506 5.563 -5.203) 7.633 0.969 ( 0.516 7.251 3.579) 8.103 1.049 ( 1.830 0.491 -2.016) 2.767 1.159 ( -4.868 0.773 4.396) 6.604 1.263 ( -4.215 -0.483 -0.624) 4.288 1.413 ( 0.635 0.318 -1.127) 1.332 1.428 ( 1.341 -0.164 0.525) 1.449 1.456 ( 2.250 0.961 0.179) 2.453 1.533 ( -1.252 -3.258 -0.289) 3.502 1.560 ( 0.104 0.859 -3.814) 3.911 1.628 ( -4.827 0.414 -2.509) 5.456 1.746 ( 2.165 0.421 2.287) 3.177 1.854 ( -4.752 -0.889 -1.128) 4.964 2.050 ( 2.062 -0.442 0.777) 2.247 2.121 ( 0.577 -3.537 4.082) 5.432 2.181 ( 0.102 1.126 -0.666) 1.312 2.285 ( 0.921 0.518 -1.589) 1.908 2.430 ( 0.142 -2.386 0.729) 2.499 2.479 ( -1.888 -2.979 -4.251) 5.524 2.595 ( 2.533 -0.347 2.042) 3.272 2.676 ( -2.512 0.072 -0.662) 2.599 2.740 ( 0.226 -5.305 3.335) 6.270 2.797 ( 0.807 0.165 -2.769) 2.889 2.849 ( 1.805 2.990 4.824) 5.955 2.966 ( 2.129 3.011 -1.772) 4.092 3.009 ( -4.397 -0.461 3.372) 5.560 3.059 ( -3.784 0.275 -1.564) 4.104 3.120 ( 6.917 -1.361 -0.748) 7.089 3.162 ( 0.510 3.075 3.967) 5.045 3.223 ( 0.414 1.481 -1.313) 2.022 3.373 ( -1.783 3.788 -4.480) 6.132 3.453 ( -1.928 -1.112 -3.367) 4.036 3.534 ( -3.341 5.934 -2.665) 7.313 3.613 ( 2.231 0.606 -0.886) 2.476 3.638 ( -1.849 -0.651 -1.613) 2.539 3.686 ( 0.535 1.079 -2.824) 3.070 3.756 ( -5.493 1.491 -5.318) 7.790 3.844 ( 3.847 -4.378 4.846) 7.579 4.051 ( -3.598 -0.918 0.303) 3.725 4.144 ( -2.168 -0.481 0.805) 2.362 4.182 ( -1.531 -2.681 -2.990) 4.298 4.289 ( 2.566 1.684 -0.588) 3.125 4.361 ( -1.064 -1.222 6.879) 7.067 4.429 ( -4.800 5.570 -4.061) 8.400 4.556 ( -0.245 0.711 -4.438) 4.501 4.703 ( 3.564 -2.157 7.795) 8.838 4.792 ( 1.306 -0.130 4.903) 5.075 4.841 ( 4.133 -4.063 -1.675) 6.033 4.918 ( 0.174 -1.078 -2.516) 2.743 5.188 ( 5.308 -4.685 3.015) 7.695 5.215 ( 1.501 -1.386 -2.982) 3.615 5.249 ( -2.226 -2.447 -0.400) 3.333 5.344 ( -4.200 -5.675 -0.147) 7.062 5.373 ( 4.926 -2.410 3.989) 6.781 5.446 ( 3.306 -1.515 0.115) 3.639 5.548 ( -3.159 1.617 2.792) 4.515 5.612 ( 1.720 0.147 -4.667) 4.977 5.749 ( -2.506 3.542 2.876) 5.206 5.875 ( -1.708 6.091 -4.387) 7.698 5.923 ( 5.839 3.433 3.062) 7.434 6.066 ( -3.943 1.300 -0.209) 4.157 6.360 ( 2.110 -3.224 2.155) 4.414 6.500 ( -2.496 -4.511 -3.863) 6.442 9.025 ( 2.114 -1.614 -0.547) 2.715 9.060 ( -1.760 -1.095 -0.952) 2.281 9.124 ( 3.320 -3.232 1.687) 4.931 9.197 ( -2.425 -5.653 0.283) 6.158 9.605 ( -0.438 2.854 2.019) 3.524 9.719 ( -2.422 4.924 -4.622) 7.175 9.926 ( -1.306 7.445 4.771) 8.938 10.046 ( -0.243 11.210 -6.422) 12.921 10.312 ( 1.625 0.355 2.643) 3.123 10.369 ( 3.475 5.610 -1.968) 6.886 10.963 ( 3.029 -0.400 -0.786) 3.155 10.990 ( -3.035 -0.474 1.750) 3.536 20.169 ( -4.713 1.255 3.109) 5.784 20.295 ( -0.559 2.690 -5.438) 6.093 20.398 ( -0.771 0.014 1.500) 1.686 20.458 ( 1.471 -0.904 -4.951) 5.243 20.948 ( 0.512 -3.163 5.868) 6.686 21.061 ( -0.575 -2.341 -2.051) 3.165 21.619 ( 18.618 -20.830 15.745) 32.069 22.007 ( -5.890 -9.617 -1.708) 11.406 22.063 ( 0.793 -2.942 0.461) 3.082 22.083 ( -0.164 -0.982 -1.156) 1.525 22.309 ( 1.778 6.051 2.817) 6.908 22.414 ( 3.879 12.893 -5.033) 14.374 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 5.774 0.000 -1.960) 6.098 0.538 ( 9.239 0.000 -5.991) 11.011 0.696 ( 2.412 0.000 11.483) 11.734 0.839 ( 7.461 0.000 -5.700) 9.390 0.953 ( -3.432 -0.000 -4.658) 5.786 1.029 ( -0.961 -0.000 -1.720) 1.970 1.223 ( 6.377 0.000 13.950) 15.339 1.242 ( 2.595 0.000 -0.483) 2.640 1.392 ( -0.471 -0.000 0.757) 0.892 1.412 ( -5.291 -0.000 -2.282) 5.762 1.451 ( 2.525 0.000 -1.501) 2.937 1.456 ( -2.657 -0.000 1.213) 2.921 1.595 ( 0.982 0.000 0.575) 1.138 1.651 ( 5.784 0.000 -3.033) 6.531 1.785 ( -0.286 -0.000 -2.777) 2.792 1.855 ( 5.252 0.000 2.802) 5.953 2.010 ( -2.641 -0.000 1.658) 3.118 2.186 ( 5.754 0.000 0.614) 5.787 2.215 ( -6.103 -0.000 -2.100) 6.454 2.228 ( -2.731 -0.000 1.185) 2.977 2.445 ( -2.610 -0.000 -1.132) 2.845 2.544 ( 0.348 0.000 -1.376) 1.419 2.569 ( -1.485 -0.000 3.913) 4.185 2.680 ( 3.016 0.000 -3.572) 4.675 2.724 ( -1.982 -0.000 -1.249) 2.343 2.859 ( 2.995 0.000 -4.648) 5.529 2.913 ( 0.912 0.000 -3.574) 3.689 2.959 ( 0.390 0.000 1.861) 1.901 2.998 ( -1.842 -0.000 2.630) 3.211 3.091 ( -0.468 -0.000 2.471) 2.515 3.108 ( 5.423 0.000 -1.230) 5.561 3.194 ( -1.735 -0.000 2.025) 2.666 3.237 ( 2.210 0.000 -7.999) 8.298 3.288 ( 5.612 0.000 0.849) 5.676 3.422 ( 4.138 0.000 5.109) 6.574 3.452 ( 0.813 0.000 -1.086) 1.356 3.590 ( -1.613 -0.000 -0.179) 1.623 3.630 ( 1.496 0.000 1.262) 1.957 3.684 ( 3.590 0.000 0.769) 3.671 3.726 ( 4.798 0.000 1.749) 5.107 3.907 ( -6.285 -0.000 -3.682) 7.284 4.089 ( 3.266 0.000 0.872) 3.380 4.150 ( -2.357 -0.000 3.855) 4.518 4.184 ( -1.635 -0.000 0.022) 1.635 4.205 ( -3.084 -0.000 1.500) 3.430 4.414 ( 12.615 0.000 2.113) 12.790 4.472 ( 1.231 0.000 5.471) 5.607 4.511 ( 2.779 0.000 -7.895) 8.370 4.773 ( -3.885 -0.000 -3.464) 5.205 4.797 ( -2.767 -0.000 1.900) 3.357 4.890 ( 0.206 0.000 -6.968) 6.971 4.945 ( 1.741 0.000 -0.622) 1.849 5.147 ( -5.323 -0.000 3.428) 6.331 5.182 ( -4.566 -0.000 0.338) 4.578 5.333 ( -5.829 -0.000 5.718) 8.165 5.338 ( -1.278 -0.000 -1.091) 1.680 5.354 ( -2.077 -0.000 -1.642) 2.648 5.443 ( -1.680 -0.000 -5.327) 5.586 5.611 ( 1.062 0.000 1.196) 1.600 5.611 ( 0.739 0.000 1.091) 1.318 5.702 ( -0.740 -0.000 1.932) 2.069 5.782 ( 4.921 0.000 -2.764) 5.644 5.934 ( -2.976 -0.000 -3.607) 4.676 6.095 ( 4.964 0.000 0.884) 5.042 6.434 ( -1.203 -0.000 -3.214) 3.432 6.495 ( 2.556 0.000 4.486) 5.163 9.010 ( -2.695 -0.000 1.010) 2.878 9.048 ( -2.116 -0.000 0.991) 2.337 9.163 ( -1.602 -0.000 -0.871) 1.824 9.268 ( 1.406 0.000 0.919) 1.679 9.601 ( 0.526 0.000 -0.788) 0.948 9.626 ( 2.151 0.000 3.390) 4.015 9.856 ( -1.418 -0.000 0.884) 1.671 9.909 ( 1.627 0.000 -1.070) 1.947 10.265 ( -3.509 -0.000 1.349) 3.759 10.416 ( 3.226 0.000 -5.698) 6.548 10.929 ( -2.999 -0.000 0.670) 3.073 11.048 ( 3.682 0.000 -1.471) 3.965 20.164 ( -0.910 -0.000 6.491) 6.554 20.242 ( 3.501 0.000 -2.880) 4.533 20.413 ( -0.716 -0.000 2.211) 2.324 20.433 ( 0.013 0.000 -2.922) 2.922 21.037 ( -0.612 -0.000 3.383) 3.438 21.045 ( -0.368 -0.000 -3.494) 3.514 21.838 ( -15.963 -0.000 -6.769) 17.338 22.076 ( -0.052 -0.000 -0.567) 0.569 22.112 ( -2.765 -0.000 0.471) 2.805 22.169 ( -0.455 -0.000 0.278) 0.533 22.172 ( 0.386 0.000 -0.418) 0.569 22.263 ( 0.300 0.000 -3.084) 3.099 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 6.518 -3.361 -3.771) 8.246 0.657 ( 9.534 -5.495 -3.950) 11.691 0.804 ( 6.371 0.126 0.208) 6.375 0.832 ( 2.510 -1.865 1.974) 3.698 0.982 ( 0.116 -4.031 -0.434) 4.056 1.021 ( -0.578 -0.685 -1.215) 1.510 1.250 ( 1.543 0.800 -0.682) 1.867 1.308 ( 3.300 0.268 3.982) 5.179 1.356 ( -4.676 -0.899 -1.262) 4.926 1.423 ( 1.533 -0.309 3.112) 3.483 1.448 ( -2.710 -0.809 2.646) 3.873 1.494 ( 2.554 -2.529 -2.055) 4.140 1.553 ( 0.634 2.826 0.743) 2.990 1.704 ( 1.996 0.027 -0.094) 1.999 1.755 ( 0.464 -0.263 -3.096) 3.142 1.922 ( 4.605 0.703 2.683) 5.376 2.027 ( 0.043 -2.250 0.470) 2.299 2.101 ( -4.691 3.377 -3.379) 6.695 2.188 ( 0.489 2.268 1.754) 2.908 2.270 ( 2.918 -2.146 1.450) 3.902 2.439 ( 0.315 -1.944 -1.403) 2.418 2.475 ( 2.402 2.890 4.320) 5.726 2.604 ( -1.043 -0.323 -1.953) 2.237 2.709 ( 0.509 -0.035 1.203) 1.307 2.737 ( 1.592 -1.603 -2.135) 3.109 2.838 ( -0.059 0.900 -3.951) 4.052 2.865 ( -1.275 4.034 -3.334) 5.387 2.926 ( 0.289 3.915 -0.965) 4.043 3.006 ( -3.450 -1.077 3.943) 5.348 3.073 ( 3.692 0.010 3.085) 4.812 3.153 ( -1.605 0.558 0.645) 1.817 3.191 ( 6.347 -0.669 -3.371) 7.217 3.253 ( 2.654 -2.398 -5.607) 6.651 3.379 ( 2.182 -4.794 0.879) 5.340 3.466 ( 3.846 -0.374 3.239) 5.042 3.541 ( -0.317 -1.300 2.475) 2.813 3.582 ( 1.125 -2.629 1.349) 3.162 3.642 ( 1.096 0.476 0.958) 1.532 3.699 ( 2.562 2.846 -0.824) 3.916 3.795 ( 4.845 -1.448 4.116) 6.521 3.844 ( -0.865 0.572 -2.121) 2.361 4.100 ( 2.557 2.308 1.526) 3.767 4.123 ( -2.887 3.036 5.536) 6.942 4.176 ( -1.072 -0.565 0.225) 1.232 4.203 ( -1.081 -2.315 1.210) 2.827 4.460 ( 1.517 2.676 -1.911) 3.622 4.504 ( 6.181 0.650 -1.463) 6.385 4.580 ( 4.566 -3.750 -0.247) 5.913 4.706 ( -3.621 1.300 -4.665) 6.047 4.769 ( -2.417 0.496 -0.302) 2.486 4.828 ( -0.786 2.671 -4.758) 5.513 4.931 ( -0.024 1.869 -2.517) 3.135 5.087 ( -6.220 2.137 1.426) 6.729 5.129 ( -4.297 1.783 2.303) 5.191 5.270 ( -2.027 1.319 1.669) 2.938 5.300 ( -3.567 2.256 -3.321) 5.371 5.400 ( -0.446 0.618 -3.241) 3.330 5.409 ( -1.142 -2.683 3.681) 4.697 5.513 ( -1.921 7.820 3.123) 8.637 5.608 ( 0.400 -1.248 -1.898) 2.306 5.804 ( -0.163 -6.894 0.446) 6.910 5.860 ( 3.116 -3.339 -0.156) 4.570 5.913 ( -0.206 -1.913 -1.258) 2.299 6.144 ( 3.142 -2.029 -1.913) 4.200 6.355 ( -1.378 6.123 -2.157) 6.636 6.502 ( 2.737 3.877 3.929) 6.161 8.974 ( -2.871 1.628 0.922) 3.427 9.020 ( -3.990 0.853 0.718) 4.143 9.134 ( 1.951 2.525 -0.031) 3.192 9.229 ( 1.125 4.366 -0.724) 4.566 9.635 ( 1.226 -3.109 -1.089) 3.515 9.699 ( 0.873 -4.171 4.110) 5.920 9.924 ( -3.624 -7.817 3.072) 9.147 10.016 ( 1.311 -8.414 -1.342) 8.621 10.253 ( -1.597 -1.487 0.393) 2.217 10.437 ( 2.407 -3.405 -4.868) 6.410 10.907 ( -2.496 0.486 1.072) 2.760 11.062 ( 3.169 0.753 -1.943) 3.793 20.199 ( -0.585 -1.519 4.382) 4.674 20.290 ( 4.074 -1.797 2.162) 4.950 20.392 ( -1.429 1.605 1.588) 2.672 20.436 ( 0.679 -0.821 -1.710) 2.015 20.974 ( -1.144 3.493 -1.909) 4.142 21.056 ( 0.593 0.458 0.601) 0.960 21.497 ( -13.936 13.880 -14.023) 24.156 22.015 ( -2.690 9.513 1.411) 9.986 22.071 ( -0.216 1.248 1.154) 1.714 22.094 ( 3.114 2.923 -0.294) 4.281 22.292 ( -4.161 -5.008 -3.234) 7.270 22.332 ( -2.311 -11.675 1.309) 11.973 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 4.747 -6.739 -2.528) 8.622 0.785 ( 4.462 -3.392 -6.290) 8.424 0.828 ( 6.389 -1.515 -0.489) 6.584 0.963 ( 1.691 -4.283 4.253) 6.268 1.024 ( -1.277 -1.715 0.077) 2.140 1.032 ( 3.056 -0.077 0.826) 3.167 1.246 ( -2.961 -1.903 -0.131) 3.522 1.341 ( 1.736 -1.057 0.746) 2.165 1.369 ( 1.546 -2.647 -0.378) 3.089 1.400 ( -2.439 2.091 -0.162) 3.217 1.451 ( -0.939 -0.570 -0.116) 1.104 1.538 ( -0.704 0.716 2.358) 2.563 1.576 ( 1.712 -4.949 -0.875) 5.310 1.688 ( -0.051 0.456 -0.140) 0.479 1.766 ( 0.717 0.128 -1.164) 1.373 1.895 ( 2.290 5.056 -0.803) 5.609 1.983 ( 0.753 6.241 0.031) 6.287 2.137 ( -0.778 -6.418 1.635) 6.668 2.158 ( 1.291 3.148 2.426) 4.179 2.318 ( 2.325 -0.741 0.371) 2.469 2.471 ( 1.247 1.618 1.964) 2.834 2.509 ( 0.436 -4.149 -2.858) 5.057 2.616 ( -0.875 0.274 -2.065) 2.259 2.676 ( 2.905 4.703 2.051) 5.896 2.682 ( 3.581 5.265 -0.285) 6.374 2.798 ( -3.628 1.347 -1.427) 4.125 2.842 ( 4.311 -2.918 4.415) 6.825 2.928 ( 0.083 -3.736 -1.627) 4.076 3.002 ( -3.029 -0.040 0.625) 3.093 3.071 ( -2.936 2.159 2.636) 4.497 3.169 ( 2.053 -1.712 4.335) 5.093 3.251 ( 4.425 -1.902 -3.859) 6.172 3.320 ( 5.220 -2.795 -3.011) 6.643 3.443 ( -2.321 -0.193 -0.601) 2.406 3.467 ( -1.549 1.040 -0.467) 1.923 3.541 ( 2.441 0.620 2.533) 3.572 3.614 ( 2.466 4.672 -3.610) 6.398 3.643 ( 0.298 -0.263 -0.024) 0.398 3.693 ( 2.180 -2.639 4.088) 5.332 3.851 ( 1.670 0.001 2.627) 3.113 3.877 ( 3.926 -2.024 2.094) 4.888 4.062 ( -1.084 3.928 7.569) 8.596 4.091 ( 0.810 1.519 -0.542) 1.804 4.175 ( -2.905 -0.727 -1.445) 3.325 4.258 ( 0.965 -2.092 3.080) 3.846 4.378 ( -2.191 5.389 -3.241) 6.660 4.487 ( 3.524 3.103 -7.415) 8.777 4.602 ( -2.753 0.821 -2.327) 3.697 4.666 ( 1.189 0.089 -2.633) 2.891 4.753 ( 1.483 0.565 -4.905) 5.156 4.785 ( -1.413 -0.524 0.085) 1.509 4.886 ( -1.456 0.565 1.524) 2.182 5.030 ( -4.432 1.044 -0.060) 4.554 5.082 ( -0.925 1.976 1.741) 2.791 5.213 ( -0.269 2.552 -3.309) 4.187 5.247 ( -0.812 1.573 0.010) 1.771 5.336 ( -0.078 6.546 2.570) 7.032 5.375 ( -0.972 4.328 -3.173) 5.454 5.472 ( -2.239 -2.988 5.002) 6.242 5.674 ( 0.141 -5.389 0.295) 5.399 5.866 ( -0.226 -2.339 -1.846) 2.988 5.919 ( -1.148 -1.697 2.967) 3.606 5.997 ( 2.197 -4.017 0.920) 4.670 6.192 ( 2.754 -2.059 -4.028) 5.296 6.232 ( -3.054 3.044 -1.482) 4.560 6.449 ( 2.405 6.398 3.059) 7.488 8.928 ( -2.544 1.157 0.459) 2.832 8.980 ( -3.077 0.438 0.666) 3.179 9.103 ( 1.653 3.300 0.646) 3.746 9.169 ( 2.122 3.071 -1.816) 4.151 9.709 ( 1.928 -4.400 -0.574) 4.838 9.800 ( -0.428 -5.325 3.109) 6.181 10.000 ( -6.294 -2.121 3.967) 7.736 10.093 ( 0.097 -1.378 -3.947) 4.182 10.351 ( 2.475 -9.336 0.387) 9.666 10.547 ( 1.019 -8.426 -0.850) 8.530 10.879 ( -2.276 1.292 2.038) 3.317 11.053 ( 2.371 1.863 -2.469) 3.897 20.234 ( 0.324 -1.018 1.181) 1.593 20.340 ( 0.009 1.231 6.193) 6.314 20.374 ( -0.645 0.083 1.210) 1.374 20.472 ( 2.729 -2.826 0.061) 3.929 20.902 ( -1.688 2.554 -4.671) 5.585 21.041 ( -0.564 1.566 -0.147) 1.671 21.165 ( -4.335 6.406 -11.643) 13.978 21.779 ( -2.903 14.775 1.041) 15.094 22.056 ( 0.037 1.132 0.929) 1.465 22.078 ( 1.484 1.601 -0.191) 2.191 22.345 ( -3.271 -6.000 -1.289) 6.954 22.492 ( -2.505 -8.247 1.114) 8.691 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 3.656 -2.890 -6.182) 7.742 0.831 ( 1.646 -0.083 3.693) 4.045 0.880 ( 1.549 -1.431 -0.774) 2.247 0.994 ( 2.141 1.668 0.018) 2.715 1.055 ( -0.856 -3.616 -1.524) 4.016 1.104 ( 3.593 -1.513 3.217) 5.055 1.276 ( -4.232 -4.417 -0.504) 6.138 1.347 ( -1.820 1.310 0.410) 2.280 1.390 ( 1.133 -3.420 -0.589) 3.651 1.423 ( 2.574 0.236 -0.472) 2.627 1.440 ( -3.263 -0.171 -0.933) 3.398 1.538 ( -0.084 -2.626 0.006) 2.627 1.664 ( 0.792 -3.578 0.556) 3.706 1.689 ( 0.598 1.609 0.527) 1.796 1.773 ( 2.925 0.883 1.528) 3.416 1.816 ( 1.048 3.449 -0.225) 3.611 1.874 ( -1.079 4.957 -0.634) 5.113 2.110 ( 0.689 4.939 0.460) 5.008 2.215 ( -3.054 -3.410 1.288) 4.755 2.348 ( 3.716 1.168 1.591) 4.207 2.399 ( -0.429 4.634 -4.007) 6.141 2.535 ( 0.711 0.885 -1.024) 1.529 2.577 ( 3.007 4.035 2.862) 5.789 2.624 ( -5.153 -5.225 -0.328) 7.345 2.731 ( -2.871 1.595 -2.656) 4.224 2.774 ( 5.079 -1.736 5.392) 7.608 2.923 ( -1.799 2.740 -2.781) 4.299 2.960 ( 6.935 -0.565 3.004) 7.579 3.044 ( -2.180 -5.221 1.093) 5.762 3.060 ( -1.667 -3.753 4.688) 6.233 3.201 ( 1.099 2.443 3.007) 4.027 3.274 ( -0.684 -0.058 -1.291) 1.462 3.373 ( 4.090 1.105 0.644) 4.285 3.394 ( -3.666 -1.600 2.194) 4.563 3.460 ( 0.610 0.417 -2.996) 3.086 3.523 ( 3.179 4.358 0.053) 5.395 3.538 ( 0.918 2.701 -3.323) 4.379 3.671 ( 2.119 -0.465 -1.134) 2.448 3.765 ( 0.060 -2.089 3.339) 3.939 3.852 ( -1.850 1.169 2.287) 3.166 3.953 ( 3.042 -1.728 1.188) 3.695 4.043 ( 1.629 1.737 3.730) 4.426 4.080 ( 1.200 0.343 0.910) 1.544 4.145 ( -2.515 2.258 -0.646) 3.441 4.185 ( -3.343 3.302 -6.891) 8.340 4.332 ( -1.437 -1.332 0.684) 2.075 4.468 ( 4.982 0.740 -2.256) 5.519 4.518 ( -2.473 3.011 -2.700) 4.741 4.689 ( 0.340 -1.664 -4.143) 4.477 4.707 ( -1.605 1.947 -2.854) 3.809 4.820 ( 0.147 -3.611 1.637) 3.968 4.906 ( 0.026 -1.524 -0.028) 1.525 4.959 ( -1.654 3.470 1.327) 4.067 5.058 ( 1.184 1.363 1.154) 2.143 5.176 ( -1.313 3.031 -0.244) 3.312 5.185 ( 1.633 1.685 -3.364) 4.101 5.275 ( -0.567 2.535 -1.321) 2.914 5.304 ( 0.551 1.459 0.439) 1.620 5.532 ( -2.005 -3.526 3.639) 5.450 5.748 ( 3.166 1.065 2.234) 4.019 5.872 ( -0.391 -0.456 -1.080) 1.236 5.936 ( -3.143 -3.322 -2.746) 5.334 6.050 ( -3.126 -2.029 5.253) 6.441 6.195 ( -2.299 -1.095 0.476) 2.590 6.256 ( 3.912 -3.366 -5.127) 7.275 6.363 ( 2.485 6.855 1.975) 7.554 8.907 ( -1.348 -0.375 0.632) 1.536 8.960 ( -1.881 -0.183 0.148) 1.896 9.061 ( 0.224 2.629 1.332) 2.956 9.138 ( 2.188 1.744 -2.722) 3.904 9.802 ( 1.888 -3.812 0.703) 4.311 9.896 ( -1.169 -5.192 2.543) 5.898 9.959 ( -3.880 1.406 1.671) 4.452 10.066 ( -0.359 1.918 -3.956) 4.411 10.555 ( 3.709 -10.057 -0.196) 10.721 10.669 ( -0.609 -3.682 1.388) 3.982 10.852 ( -2.276 0.147 3.053) 3.811 11.013 ( 1.473 3.113 -3.509) 4.917 20.246 ( 0.517 0.349 0.923) 1.114 20.325 ( 0.012 1.858 0.578) 1.946 20.385 ( -1.654 -1.202 4.129) 4.608 20.541 ( 2.240 -1.480 0.592) 2.749 20.813 ( -2.168 1.439 -4.723) 5.393 21.017 ( -0.133 0.231 -1.365) 1.391 21.116 ( 1.942 -3.010 -3.729) 5.170 21.509 ( -3.283 13.202 0.524) 13.614 22.042 ( 0.101 0.903 0.608) 1.094 22.061 ( 0.689 1.226 -0.334) 1.446 22.418 ( -1.332 -4.366 0.769) 4.629 22.584 ( -1.562 -4.720 -0.571) 5.004 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.452 3.816 5.220) 6.482 0.860 ( 2.696 0.854 -4.577) 5.380 0.898 ( -1.140 1.055 -0.050) 1.554 0.966 ( 2.037 2.207 0.808) 3.110 1.092 ( 0.115 -0.493 -3.109) 3.150 1.113 ( 0.211 2.899 1.726) 3.381 1.284 ( -3.911 -1.360 -0.031) 4.141 1.307 ( -2.799 1.477 -1.293) 3.419 1.409 ( 1.113 -0.646 -0.131) 1.293 1.462 ( 1.592 -2.149 1.027) 2.865 1.483 ( 1.340 -3.097 0.267) 3.385 1.579 ( 0.645 -1.670 -0.957) 2.030 1.660 ( -0.750 1.313 3.029) 3.385 1.706 ( 0.929 1.596 -0.215) 1.859 1.712 ( 1.592 4.487 -0.873) 4.840 1.788 ( 0.601 -0.279 -0.021) 0.663 1.896 ( -0.330 -2.279 1.075) 2.541 2.006 ( -1.979 3.531 -1.214) 4.226 2.245 ( -2.416 -2.183 1.179) 3.463 2.312 ( -0.818 2.289 -1.759) 3.000 2.363 ( 3.208 1.061 3.843) 5.117 2.529 ( 0.815 0.195 -1.318) 1.562 2.566 ( 0.835 2.271 1.264) 2.730 2.637 ( -7.065 -2.003 0.828) 7.390 2.683 ( -0.418 0.876 -3.438) 3.572 2.805 ( -2.270 3.820 -1.902) 4.833 2.879 ( 0.557 -2.562 3.051) 4.022 3.009 ( 7.355 3.661 2.291) 8.529 3.063 ( -4.222 -0.982 3.584) 5.624 3.136 ( -0.609 -2.621 -0.611) 2.759 3.180 ( 0.493 1.469 0.403) 1.601 3.275 ( -1.275 -2.617 -0.007) 2.911 3.350 ( -0.965 3.646 4.926) 6.204 3.414 ( 2.123 3.684 -2.885) 5.138 3.448 ( -0.063 -1.357 0.845) 1.600 3.488 ( 3.131 0.890 3.238) 4.592 3.533 ( 1.612 -1.372 -3.391) 3.998 3.659 ( 1.677 2.018 -0.810) 2.746 3.781 ( -5.062 -1.000 -1.015) 5.259 3.807 ( -1.897 2.815 2.783) 4.389 3.963 ( -1.607 5.468 -6.765) 8.846 3.988 ( -0.746 -0.942 -0.736) 1.409 4.070 ( 0.665 -0.863 1.518) 1.868 4.177 ( 3.874 -3.362 1.999) 5.505 4.212 ( 5.047 -5.512 -0.380) 7.484 4.328 ( -2.668 -0.318 -1.663) 3.160 4.406 ( -1.482 4.216 -0.292) 4.478 4.557 ( 5.057 -2.835 -0.027) 5.798 4.635 ( -5.452 1.965 -0.290) 5.803 4.672 ( -1.823 -0.257 -2.860) 3.401 4.866 ( -2.213 1.754 2.263) 3.619 4.907 ( -0.587 -1.095 0.953) 1.565 4.968 ( 6.118 -3.378 -3.000) 7.605 5.068 ( 2.025 1.489 2.038) 3.236 5.162 ( 1.213 -3.165 -2.254) 4.071 5.173 ( 1.940 -0.474 -2.431) 3.146 5.222 ( -2.180 1.760 0.774) 2.907 5.304 ( 0.297 -0.210 -0.542) 0.653 5.587 ( -2.902 -3.644 2.107) 5.112 5.689 ( 1.363 5.167 -2.703) 5.989 5.917 ( 0.389 -1.822 1.592) 2.451 5.956 ( 1.607 -1.135 0.934) 2.178 6.059 ( -7.007 -0.429 4.973) 8.603 6.213 ( -2.470 -4.068 -3.111) 5.686 6.261 ( 0.032 4.985 4.329) 6.602 6.326 ( 6.863 0.403 -5.925) 9.075 8.922 ( 0.148 -1.497 0.586) 1.615 8.961 ( -0.864 -1.409 0.065) 1.654 9.034 ( -0.886 1.048 1.693) 2.179 9.116 ( 1.333 0.939 -3.291) 3.673 9.815 ( -1.609 3.190 2.628) 4.436 9.972 ( -1.073 -3.105 2.098) 3.898 9.986 ( 1.765 -3.317 -1.184) 3.939 9.999 ( -0.959 1.041 -2.605) 2.965 10.643 ( -0.435 6.299 2.958) 6.972 10.711 ( 3.061 -3.821 -0.426) 4.914 10.887 ( -2.069 -3.886 2.154) 4.901 10.949 ( 0.871 2.637 -4.771) 5.521 20.248 ( 0.428 0.265 0.780) 0.928 20.297 ( -0.548 0.609 -1.193) 1.447 20.407 ( -1.348 -0.340 3.761) 4.010 20.554 ( 1.060 0.694 -2.747) 3.025 20.815 ( 1.641 -1.946 2.881) 3.845 21.003 ( 0.014 0.499 -0.966) 1.088 21.162 ( 0.535 1.955 0.262) 2.044 21.368 ( -1.629 -3.567 -1.783) 4.308 22.036 ( 0.104 0.099 0.170) 0.222 22.048 ( 0.179 0.470 -0.306) 0.588 22.465 ( 0.055 -0.706 2.696) 2.787 22.630 ( -0.102 -2.277 -2.810) 3.618 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -1.025 7.841 2.496) 8.292 0.748 ( -1.009 6.728 1.561) 6.980 0.834 ( 0.089 6.856 3.540) 7.717 0.987 ( 1.102 -0.762 -0.234) 1.360 1.027 ( -0.139 1.505 -3.613) 3.917 1.100 ( 0.917 1.382 -2.501) 3.001 1.253 ( -1.697 0.736 -0.530) 1.924 1.266 ( -3.151 1.109 -0.347) 3.358 1.447 ( 3.213 0.253 0.423) 3.250 1.477 ( 0.273 2.702 2.389) 3.617 1.505 ( 2.792 -0.008 0.831) 2.913 1.570 ( 0.123 3.897 0.879) 3.997 1.640 ( -2.775 2.623 0.328) 3.832 1.656 ( -2.132 3.301 -2.427) 4.619 1.707 ( 0.434 -3.665 1.491) 3.980 1.778 ( 0.064 0.140 -2.313) 2.318 1.926 ( 2.625 -3.050 2.840) 4.926 2.015 ( -3.270 -3.843 1.131) 5.171 2.245 ( -0.575 0.525 0.724) 1.064 2.270 ( -2.414 0.559 -1.666) 2.986 2.436 ( 0.153 -1.220 7.241) 7.345 2.500 ( 0.556 1.102 -3.394) 3.612 2.546 ( 0.055 -1.773 -3.358) 3.798 2.605 ( -1.959 0.863 -0.357) 2.171 2.640 ( -0.909 1.849 -1.613) 2.617 2.716 ( -5.252 -0.139 -2.410) 5.780 2.967 ( 0.911 2.271 3.755) 4.482 2.977 ( 6.090 -0.863 2.116) 6.505 3.066 ( -3.707 1.075 1.439) 4.119 3.139 ( -0.629 1.202 -4.865) 5.050 3.157 ( 3.844 1.686 3.663) 5.571 3.291 ( -2.362 4.346 4.782) 6.880 3.320 ( 2.287 -1.313 -2.641) 3.732 3.351 ( -1.243 2.202 -0.696) 2.623 3.451 ( -1.312 -0.445 2.838) 3.158 3.535 ( 1.079 -0.755 1.668) 2.125 3.569 ( 2.258 -3.223 -3.515) 5.277 3.678 ( 5.554 -0.913 1.638) 5.862 3.716 ( -4.997 1.688 -2.912) 6.025 3.758 ( -3.209 2.080 2.182) 4.403 3.838 ( -2.921 3.619 -5.206) 6.981 3.991 ( -1.596 -1.730 -4.141) 4.763 4.107 ( 1.311 -1.375 0.733) 2.037 4.257 ( -1.177 2.964 -1.366) 3.469 4.279 ( 1.254 -1.820 -0.989) 2.421 4.341 ( -0.050 1.619 2.503) 2.981 4.398 ( 6.538 -7.629 0.230) 10.050 4.555 ( -5.492 -0.425 -3.396) 6.471 4.635 ( -0.659 -1.726 3.930) 4.342 4.698 ( 2.731 -2.857 1.495) 4.226 4.827 ( 0.337 2.321 2.642) 3.533 4.917 ( 0.371 -0.178 -1.203) 1.271 5.059 ( 0.847 -1.967 2.496) 3.289 5.091 ( 2.304 -4.123 -3.254) 5.736 5.169 ( 1.834 -0.142 -4.464) 4.828 5.185 ( -3.190 -0.751 0.642) 3.339 5.277 ( 2.605 -5.984 -0.336) 6.535 5.321 ( -0.228 -1.947 1.163) 2.279 5.611 ( -1.071 0.451 -1.140) 1.628 5.633 ( -0.613 -0.555 -1.247) 1.497 5.907 ( 2.818 4.017 1.532) 5.140 5.994 ( -4.710 2.622 1.009) 5.485 6.018 ( -0.162 -0.785 6.290) 6.341 6.172 ( -0.504 4.723 1.510) 4.984 6.286 ( -1.835 -5.643 -2.575) 6.468 6.336 ( 5.041 0.757 -5.540) 7.528 8.961 ( 1.707 -1.926 0.244) 2.585 8.994 ( -1.639 -2.916 0.312) 3.360 9.030 ( -0.484 -0.713 1.970) 2.150 9.101 ( 0.468 -0.170 -3.234) 3.272 9.748 ( -0.656 4.536 3.427) 5.723 9.890 ( -1.553 4.647 -4.787) 6.850 10.041 ( -1.685 -2.326 4.080) 4.989 10.088 ( 1.954 -4.516 -1.272) 5.082 10.518 ( 1.214 9.693 4.030) 10.567 10.684 ( 0.918 7.040 -5.030) 8.701 10.933 ( 2.361 -1.364 -2.710) 3.844 10.939 ( -2.664 -2.901 1.561) 4.236 20.241 ( 0.285 1.737 1.675) 2.430 20.293 ( -1.900 -1.588 -0.681) 2.568 20.408 ( -0.672 0.374 1.603) 1.778 20.510 ( 0.658 3.033 -5.854) 6.626 20.886 ( 1.418 -0.822 6.171) 6.385 20.996 ( -0.497 -0.325 -1.641) 1.745 21.179 ( 5.911 -4.213 9.471) 11.933 21.515 ( -3.357 -14.243 -5.753) 15.724 22.037 ( -0.287 -0.227 0.513) 0.630 22.050 ( 0.272 -0.738 -0.713) 1.062 22.469 ( 1.216 2.436 4.082) 4.907 22.626 ( 0.160 1.096 -4.960) 5.082 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 2.281 9.399 3.643) 10.335 0.637 ( -1.246 6.615 -2.047) 7.035 0.750 ( 2.952 7.336 10.559) 13.192 0.931 ( -0.338 4.524 -6.884) 8.245 1.035 ( 1.718 -0.310 -1.672) 2.417 1.057 ( -1.099 1.486 -3.056) 3.571 1.198 ( -4.173 3.442 4.047) 6.756 1.248 ( 1.455 0.614 -0.604) 1.691 1.439 ( -1.768 1.656 1.430) 2.813 1.447 ( 1.353 1.575 0.709) 2.194 1.502 ( -0.343 2.768 2.001) 3.433 1.519 ( 2.755 1.978 -0.755) 3.474 1.563 ( -4.112 2.284 0.111) 4.705 1.600 ( 0.901 0.501 -1.553) 1.863 1.768 ( 1.951 -1.670 1.160) 2.818 1.792 ( -1.630 -1.816 -1.033) 2.650 2.034 ( 3.471 -4.448 2.286) 6.087 2.061 ( -2.838 -3.770 0.623) 4.760 2.232 ( -0.716 1.396 -0.865) 1.792 2.241 ( -0.846 -0.060 -0.289) 0.896 2.411 ( -2.634 1.282 1.351) 3.226 2.459 ( 1.784 2.481 -4.387) 5.346 2.603 ( 2.128 -2.183 1.348) 3.333 2.632 ( -0.848 -3.270 -1.075) 3.545 2.658 ( 1.807 -4.701 2.599) 5.668 2.712 ( -2.564 -4.699 -2.505) 5.910 2.938 ( 1.672 2.403 3.143) 4.295 2.992 ( -6.189 1.553 1.799) 6.629 3.018 ( 0.991 3.713 -1.562) 4.149 3.087 ( 2.518 2.071 -3.405) 4.715 3.206 ( 6.272 2.970 3.986) 8.003 3.224 ( -0.148 1.305 4.371) 4.564 3.272 ( -0.690 4.415 -3.090) 5.432 3.330 ( -2.321 -1.131 -5.065) 5.685 3.488 ( 3.452 0.575 4.541) 5.733 3.548 ( -2.330 0.238 0.463) 2.388 3.613 ( -2.128 -0.420 -1.954) 2.919 3.639 ( 0.673 0.962 -2.625) 2.876 3.699 ( -2.950 0.395 -2.830) 4.107 3.719 ( 1.402 2.912 -4.764) 5.757 3.823 ( 3.863 -4.092 7.120) 9.076 3.975 ( -4.141 -1.762 -6.639) 8.021 4.129 ( -1.765 1.126 -0.316) 2.117 4.143 ( -0.745 1.001 -0.192) 1.262 4.345 ( 1.313 -1.497 5.304) 5.666 4.361 ( 1.407 0.527 2.082) 2.567 4.467 ( -4.737 1.744 -1.834) 5.370 4.537 ( 4.993 -1.141 -6.785) 8.501 4.702 ( 0.633 -3.531 6.162) 7.130 4.781 ( 2.092 -3.327 -0.838) 4.018 4.822 ( -0.689 -0.351 3.811) 3.889 4.902 ( 1.927 0.778 -4.416) 4.880 5.145 ( -3.859 -7.179 1.189) 8.237 5.163 ( 3.417 -4.224 0.315) 5.442 5.173 ( -3.307 -1.699 1.267) 3.928 5.216 ( 1.807 -3.243 -1.657) 4.065 5.362 ( -0.101 -3.312 2.259) 4.010 5.398 ( 1.232 -5.319 -1.639) 5.701 5.579 ( -3.418 2.611 1.154) 4.454 5.626 ( 2.099 0.533 -3.293) 3.941 5.856 ( 2.493 5.751 4.462) 7.694 5.911 ( -2.687 3.379 -1.453) 4.555 6.017 ( -2.992 1.864 4.379) 5.622 6.101 ( 3.932 4.809 -2.958) 6.880 6.341 ( 2.592 -2.456 -1.163) 3.755 6.372 ( -2.023 -5.183 -2.994) 6.318 9.006 ( -1.620 -1.536 0.692) 2.337 9.020 ( 1.146 -2.023 -0.360) 2.353 9.080 ( -1.389 -4.065 1.642) 4.599 9.113 ( 1.509 -2.372 -1.907) 3.397 9.685 ( 0.344 4.550 3.900) 6.003 9.770 ( -1.579 5.241 -4.683) 7.203 10.046 ( -2.254 3.239 5.479) 6.752 10.127 ( 0.361 1.059 -2.738) 2.958 10.388 ( -1.018 7.691 4.116) 8.782 10.510 ( 3.736 9.229 -8.498) 13.090 10.956 ( -3.079 -1.338 1.068) 3.523 10.973 ( 3.226 -1.154 -0.719) 3.501 20.210 ( -1.020 3.231 4.867) 5.930 20.294 ( -1.097 -0.104 -3.107) 3.296 20.397 ( -1.648 0.583 0.800) 1.923 20.448 ( 2.182 1.062 -5.101) 5.649 20.931 ( -0.047 -1.703 5.349) 5.614 21.002 ( -0.070 -2.043 -2.168) 2.980 21.494 ( 11.199 -16.007 13.501) 23.747 21.695 ( -7.714 -15.166 -7.752) 18.698 22.047 ( -0.234 -0.763 0.862) 1.175 22.064 ( 0.281 -0.888 -0.985) 1.356 22.437 ( 1.117 4.982 4.558) 6.844 22.543 ( -0.795 5.366 -6.376) 8.371 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 7.050 0.000 -5.774) 9.113 0.685 ( 10.262 0.000 -1.732) 10.407 0.865 ( 4.229 0.000 7.367) 8.494 0.896 ( 2.728 0.000 -1.604) 3.164 0.912 ( 6.191 0.000 -5.178) 8.071 1.001 ( -0.684 -0.000 -0.473) 0.831 1.272 ( -0.216 -0.000 -2.302) 2.312 1.304 ( -1.700 -0.000 -0.448) 1.758 1.329 ( -0.557 -0.000 0.781) 0.959 1.430 ( -3.178 -0.000 6.543) 7.274 1.488 ( 6.406 0.000 3.281) 7.197 1.489 ( 2.656 0.000 -1.917) 3.275 1.576 ( -2.833 -0.000 -0.190) 2.839 1.689 ( -2.161 -0.000 -0.613) 2.246 1.753 ( 1.414 0.000 -4.186) 4.418 1.940 ( 1.080 0.000 0.333) 1.130 2.027 ( 1.770 0.000 3.605) 4.016 2.094 ( -0.950 -0.000 -3.464) 3.592 2.234 ( 1.958 0.000 2.921) 3.516 2.287 ( 4.962 0.000 0.797) 5.026 2.406 ( -1.012 -0.000 -0.621) 1.188 2.533 ( -1.520 -0.000 1.252) 1.969 2.592 ( -1.798 -0.000 5.417) 5.708 2.677 ( 0.224 0.000 -6.485) 6.489 2.733 ( 2.075 0.000 2.684) 3.393 2.811 ( -0.114 -0.000 -3.678) 3.680 2.838 ( -1.433 -0.000 -9.108) 9.220 2.991 ( 1.294 0.000 2.706) 2.999 3.046 ( 2.833 0.000 4.332) 5.176 3.086 ( -1.056 -0.000 1.773) 2.063 3.181 ( -1.328 -0.000 2.751) 3.055 3.201 ( 5.102 0.000 -6.884) 8.569 3.292 ( 10.329 0.000 0.039) 10.329 3.372 ( 4.364 0.000 0.992) 4.475 3.439 ( -0.487 -0.000 -0.775) 0.915 3.554 ( -3.065 -0.000 0.825) 3.174 3.608 ( 7.611 0.000 7.869) 10.947 3.663 ( 1.250 0.000 -0.514) 1.351 3.768 ( 5.275 0.000 -0.670) 5.318 3.803 ( -0.108 -0.000 -0.896) 0.903 3.845 ( 2.199 0.000 3.554) 4.179 4.141 ( 1.803 0.000 0.684) 1.928 4.160 ( -4.730 -0.000 9.416) 10.537 4.169 ( 0.100 0.000 -1.365) 1.369 4.180 ( 0.586 0.000 1.981) 2.066 4.486 ( 3.077 0.000 -7.717) 8.308 4.514 ( -0.158 -0.000 1.546) 1.554 4.583 ( -2.648 -0.000 -6.111) 6.660 4.708 ( 8.691 0.000 0.649) 8.716 4.737 ( -4.666 -0.000 0.608) 4.706 4.835 ( -0.126 -0.000 -5.756) 5.757 4.917 ( -2.413 -0.000 -3.273) 4.066 5.092 ( -5.749 -0.000 -0.910) 5.820 5.099 ( -5.711 -0.000 5.520) 7.943 5.238 ( -6.485 -0.000 0.465) 6.502 5.294 ( -2.436 -0.000 -1.257) 2.741 5.350 ( 0.011 0.000 1.138) 1.138 5.374 ( -0.311 -0.000 -4.422) 4.433 5.629 ( -0.887 -0.000 1.012) 1.346 5.641 ( 0.520 0.000 0.670) 0.848 5.708 ( -0.842 -0.000 3.817) 3.908 5.842 ( 2.774 0.000 -1.863) 3.342 5.882 ( 2.084 0.000 -1.421) 2.522 6.140 ( 0.942 0.000 -0.885) 1.293 6.422 ( 1.580 0.000 -0.071) 1.582 6.572 ( 2.076 0.000 3.282) 3.884 8.973 ( -3.057 -0.000 1.028) 3.226 8.996 ( -3.865 -0.000 0.168) 3.869 9.174 ( 1.993 0.000 0.429) 2.039 9.269 ( -0.466 -0.000 -1.226) 1.312 9.615 ( 1.383 0.000 0.337) 1.424 9.691 ( 1.040 0.000 3.872) 4.009 9.836 ( -1.654 -0.000 0.300) 1.681 9.925 ( 0.813 0.000 -0.758) 1.112 10.236 ( -0.287 -0.000 0.458) 0.540 10.404 ( 1.589 0.000 -4.923) 5.173 10.901 ( -1.560 -0.000 1.878) 2.441 11.082 ( 2.741 0.000 -2.657) 3.817 20.208 ( -0.889 -0.000 6.377) 6.439 20.328 ( 6.083 0.000 4.026) 7.294 20.405 ( -0.449 -0.000 -1.731) 1.788 20.422 ( -0.896 -0.000 2.837) 2.975 21.003 ( -0.249 -0.000 -4.568) 4.575 21.033 ( -2.950 -0.000 -0.181) 2.956 21.472 ( -12.169 -0.000 -14.669) 19.060 22.039 ( -4.894 -0.000 -0.995) 4.994 22.098 ( -1.080 -0.000 2.257) 2.503 22.162 ( -0.505 -0.000 -0.001) 0.505 22.172 ( 0.069 0.000 -1.145) 1.148 22.202 ( -1.785 -0.000 -3.529) 3.955 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 6.382 -2.717 -4.915) 8.501 0.767 ( 6.256 -2.001 -2.981) 7.213 0.857 ( 3.408 0.615 -1.154) 3.650 0.964 ( 3.665 -0.810 4.289) 5.699 1.000 ( 2.088 -3.949 0.101) 4.468 1.008 ( -0.293 -2.005 -0.892) 2.214 1.219 ( -3.173 1.835 0.302) 3.678 1.319 ( 1.194 -0.481 -0.070) 1.289 1.356 ( 4.501 -2.025 -0.558) 4.967 1.437 ( -3.428 0.942 4.120) 5.442 1.459 ( -0.196 2.695 -1.620) 3.151 1.531 ( 2.106 -0.734 -1.736) 2.827 1.566 ( 0.734 -0.081 3.163) 3.248 1.663 ( -4.384 -1.003 -1.573) 4.764 1.757 ( 2.701 -0.675 -3.206) 4.246 1.963 ( -1.329 -0.784 -1.010) 1.844 2.044 ( 1.270 -0.705 2.505) 2.895 2.086 ( 2.782 2.775 1.343) 4.153 2.235 ( 2.769 2.659 2.203) 4.426 2.329 ( 2.662 -0.647 -0.365) 2.764 2.433 ( -0.257 -3.125 -0.571) 3.187 2.521 ( -1.067 1.785 2.450) 3.214 2.576 ( -1.701 -0.263 -1.450) 2.250 2.693 ( -1.610 -4.300 -1.207) 4.748 2.768 ( -2.721 0.152 -4.431) 5.202 2.796 ( 4.617 0.441 3.843) 6.024 2.832 ( 2.802 -2.141 -0.225) 3.533 2.958 ( 3.127 6.527 -0.123) 7.238 3.024 ( 0.566 1.721 3.606) 4.035 3.110 ( -2.945 4.661 1.138) 5.630 3.179 ( 2.699 -3.566 5.750) 7.285 3.230 ( 5.686 -1.463 -5.359) 7.949 3.343 ( 5.951 0.399 -2.283) 6.386 3.427 ( 4.092 -1.510 2.246) 4.906 3.477 ( -0.532 1.023 -1.429) 1.836 3.550 ( -1.265 -2.766 1.711) 3.490 3.639 ( 1.113 1.538 -1.125) 2.207 3.683 ( 3.251 1.289 1.280) 3.724 3.740 ( 2.755 3.082 2.076) 4.625 3.851 ( 1.826 -1.792 -0.117) 2.561 3.895 ( 2.263 -1.154 4.713) 5.354 4.117 ( -2.633 2.027 2.763) 4.322 4.154 ( 0.322 2.588 4.635) 5.318 4.158 ( -1.612 0.192 1.003) 1.908 4.229 ( 0.965 -2.756 1.476) 3.272 4.423 ( -5.407 5.100 -4.575) 8.728 4.484 ( 2.279 0.022 -8.636) 8.931 4.572 ( 0.642 -2.430 -5.831) 6.349 4.696 ( -3.293 1.172 4.723) 5.875 4.746 ( -0.464 2.929 -3.679) 4.725 4.801 ( 5.600 1.785 -2.783) 6.503 4.900 ( -1.986 0.012 1.392) 2.425 4.996 ( -4.123 1.383 -2.347) 4.942 5.094 ( -3.218 -0.313 2.461) 4.063 5.195 ( -3.948 -0.113 -1.910) 4.387 5.257 ( -1.206 0.959 -0.847) 1.759 5.373 ( 0.507 -1.360 -2.647) 3.019 5.403 ( -2.535 -1.412 0.434) 2.933 5.525 ( -0.965 4.898 5.813) 7.662 5.627 ( 2.515 2.466 1.670) 3.898 5.767 ( -2.398 -5.206 -2.456) 6.236 5.893 ( -0.110 -2.975 0.237) 2.986 5.961 ( 4.691 -4.394 2.070) 6.753 6.144 ( -0.336 -0.985 -2.285) 2.511 6.354 ( 2.039 8.535 1.059) 8.839 6.567 ( 1.218 3.759 2.317) 4.580 8.934 ( -2.681 1.627 0.606) 3.194 8.963 ( -2.923 0.341 -0.140) 2.947 9.170 ( 1.580 2.443 0.652) 2.982 9.229 ( 0.616 3.022 -1.835) 3.589 9.659 ( 2.251 -3.103 -0.386) 3.853 9.732 ( -0.796 -2.880 3.177) 4.361 9.885 ( -4.014 -6.094 2.589) 7.743 10.004 ( -0.271 -6.495 -3.637) 7.449 10.271 ( 1.802 -3.611 2.680) 4.844 10.429 ( 1.342 -4.434 -3.288) 5.681 10.896 ( -0.881 0.824 2.897) 3.138 11.082 ( 2.016 0.875 -3.188) 3.872 20.234 ( -0.310 -0.637 4.954) 5.004 20.374 ( -0.683 -0.003 -0.004) 0.683 20.400 ( 0.267 1.883 6.825) 7.085 20.460 ( 4.185 -2.331 3.525) 5.947 20.920 ( -2.150 4.019 -6.779) 8.169 21.007 ( -4.821 -0.016 -6.226) 7.874 21.255 ( 1.044 8.321 -7.711) 11.393 21.916 ( -8.069 6.960 -3.582) 11.242 22.083 ( -0.087 1.239 2.021) 2.372 22.132 ( 1.873 2.496 -0.474) 3.156 22.215 ( -2.353 -4.884 -1.153) 5.543 22.298 ( -2.141 -10.804 -0.391) 11.021 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 5.226 -6.309 -2.928) 8.700 0.823 ( 3.786 -1.654 -2.848) 5.018 0.895 ( 2.083 -1.278 0.397) 2.476 0.981 ( -2.116 -0.694 1.459) 2.662 1.032 ( 2.438 -0.479 -0.326) 2.506 1.090 ( -1.996 -5.453 -0.264) 5.813 1.192 ( 0.724 0.587 2.580) 2.743 1.333 ( -0.535 -0.471 -0.417) 0.825 1.368 ( -2.497 0.837 -0.086) 2.635 1.436 ( 1.172 0.254 1.944) 2.284 1.449 ( 1.292 0.622 -0.445) 1.501 1.515 ( 0.798 -0.056 -2.972) 3.077 1.616 ( 1.116 -2.949 3.070) 4.400 1.679 ( 0.527 -4.297 -1.057) 4.457 1.766 ( 0.911 1.059 -0.673) 1.551 1.920 ( 0.713 3.925 -1.713) 4.341 2.003 ( 1.231 7.812 1.213) 8.000 2.114 ( -2.798 -4.280 3.880) 6.419 2.200 ( 0.396 4.560 -0.616) 4.618 2.379 ( 4.033 -2.433 -0.025) 4.710 2.440 ( -2.288 1.729 -3.105) 4.227 2.515 ( 0.912 -2.150 1.220) 2.635 2.543 ( -3.308 0.100 -3.413) 4.754 2.700 ( -2.676 2.955 -1.499) 4.259 2.729 ( 3.414 3.041 0.946) 4.669 2.846 ( 5.248 0.573 5.190) 7.404 2.923 ( 0.174 -1.885 1.757) 2.583 2.948 ( 3.195 -2.507 0.179) 4.065 2.997 ( -0.928 0.055 5.114) 5.198 3.040 ( -0.453 1.065 0.951) 1.498 3.253 ( 0.028 -0.337 -0.224) 0.405 3.290 ( 5.125 0.393 2.462) 5.699 3.362 ( -0.809 -0.187 1.180) 1.443 3.431 ( 1.614 -0.587 -3.644) 4.028 3.460 ( 2.513 2.468 2.022) 4.061 3.560 ( -0.056 1.185 -0.453) 1.269 3.642 ( 3.678 4.895 -2.237) 6.518 3.658 ( 1.922 -1.828 -0.031) 2.653 3.755 ( -0.407 -0.321 2.964) 3.009 3.863 ( -1.660 0.635 2.805) 3.321 3.959 ( 2.330 -1.335 2.391) 3.595 4.081 ( -2.645 0.266 1.077) 2.868 4.125 ( 1.574 3.443 2.703) 4.652 4.132 ( -1.833 0.321 -2.484) 3.104 4.237 ( -2.732 6.654 -3.656) 8.069 4.285 ( -3.103 -1.754 -0.905) 3.677 4.488 ( 5.140 -0.789 -5.746) 7.750 4.553 ( -0.246 2.198 -2.182) 3.107 4.664 ( -0.309 1.877 -2.589) 3.213 4.695 ( -3.417 -0.101 -0.920) 3.540 4.800 ( 1.274 0.452 0.913) 1.631 4.886 ( -0.623 -0.456 2.601) 2.713 4.965 ( -1.212 0.035 -4.523) 4.683 5.088 ( -0.849 -0.101 1.143) 1.427 5.167 ( 0.068 -0.019 -3.685) 3.686 5.227 ( -1.264 1.211 -0.425) 1.802 5.324 ( -2.656 4.244 1.387) 5.196 5.366 ( 1.720 3.352 -1.420) 4.026 5.526 ( 1.362 0.914 7.607) 7.782 5.695 ( 1.277 -6.559 2.078) 6.998 5.826 ( -2.269 -5.142 -2.910) 6.329 5.900 ( -1.758 1.589 -1.924) 3.052 6.035 ( -0.437 -0.209 2.669) 2.713 6.148 ( -0.819 -1.015 -4.688) 4.866 6.275 ( 5.119 2.527 4.058) 7.004 6.493 ( 0.123 5.925 1.242) 6.055 8.898 ( -1.557 0.538 0.726) 1.800 8.940 ( -1.974 -0.101 -0.297) 1.999 9.125 ( 0.126 3.709 1.073) 3.863 9.179 ( 1.564 2.625 -2.745) 4.107 9.747 ( 2.777 -4.719 -0.152) 5.478 9.803 ( -1.834 -5.086 2.411) 5.920 9.934 ( -4.979 -1.862 3.060) 6.133 10.047 ( -0.290 -1.444 -5.666) 5.854 10.422 ( 4.146 -9.298 1.960) 10.367 10.548 ( -0.796 -8.758 0.450) 8.806 10.880 ( -0.669 2.059 3.731) 4.313 11.053 ( 1.019 2.215 -3.881) 4.584 20.263 ( 0.828 -0.177 2.728) 2.856 20.368 ( -0.669 1.345 -0.410) 1.557 20.379 ( -1.985 0.970 6.897) 7.242 20.553 ( 3.882 -0.920 4.374) 5.920 20.788 ( -3.078 2.097 -9.632) 10.327 20.952 ( -1.646 -1.495 -6.632) 6.995 21.183 ( 6.581 4.387 1.523) 8.054 21.671 ( -7.741 10.967 -4.353) 14.112 22.068 ( 0.143 1.450 1.387) 2.011 22.099 ( 1.003 2.428 -0.308) 2.645 22.312 ( -0.525 -7.043 0.897) 7.119 22.443 ( -2.977 -8.763 -1.223) 9.336 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 3.150 -0.531 -2.509) 4.062 0.867 ( -1.176 -1.941 -0.905) 2.443 0.900 ( 1.387 1.317 4.051) 4.480 1.028 ( 0.499 -0.510 -2.585) 2.682 1.050 ( 3.718 -2.506 -0.033) 4.484 1.146 ( -3.657 -2.414 -0.488) 4.409 1.220 ( 1.346 -0.857 1.890) 2.474 1.325 ( -2.184 2.579 -0.120) 3.382 1.354 ( -2.101 -2.053 -0.791) 3.042 1.397 ( -0.071 -3.765 -1.376) 4.009 1.472 ( 1.587 -0.337 1.123) 1.973 1.541 ( 0.289 -1.752 -1.934) 2.626 1.701 ( 1.980 -3.235 1.897) 4.241 1.724 ( 1.337 3.716 2.385) 4.614 1.797 ( 0.217 -7.072 0.777) 7.118 1.835 ( -1.331 5.297 0.660) 5.501 1.879 ( 3.500 8.724 0.426) 9.410 2.072 ( -3.535 5.631 -5.708) 8.763 2.181 ( -2.408 -2.525 5.687) 6.672 2.352 ( 0.137 3.000 -6.210) 6.898 2.442 ( 3.328 1.202 2.961) 4.614 2.524 ( -1.087 -0.852 -0.893) 1.645 2.561 ( -1.446 -1.950 1.568) 2.890 2.631 ( -1.013 2.768 -0.115) 2.949 2.703 ( 3.797 2.759 -0.056) 4.694 2.836 ( -4.997 4.566 -2.245) 7.131 2.893 ( 3.224 0.341 4.461) 5.514 3.016 ( -1.600 -1.897 0.283) 2.498 3.070 ( 0.611 -3.362 2.614) 4.303 3.088 ( 0.796 -2.548 4.206) 4.981 3.222 ( -4.267 0.776 1.786) 4.690 3.253 ( 4.609 4.061 -2.167) 6.514 3.408 ( -1.578 0.747 2.133) 2.756 3.433 ( 0.445 0.024 6.884) 6.898 3.471 ( 3.880 -1.651 -4.780) 6.374 3.534 ( 3.372 4.235 -1.976) 5.763 3.584 ( 2.472 3.530 2.200) 4.838 3.689 ( 0.162 -0.319 -0.780) 0.858 3.730 ( -2.743 1.042 -0.623) 3.000 3.851 ( -2.107 0.881 4.146) 4.734 3.945 ( -6.323 1.834 -3.574) 7.491 4.025 ( 1.657 3.571 -6.897) 7.941 4.105 ( 1.635 1.853 3.861) 4.585 4.146 ( 1.715 -3.146 0.971) 3.712 4.179 ( 4.247 -1.762 0.126) 4.600 4.279 ( -3.586 -1.275 -2.125) 4.359 4.492 ( 1.288 4.730 1.497) 5.126 4.546 ( 5.114 -2.409 -2.421) 6.149 4.626 ( -3.083 -0.866 -3.385) 4.660 4.630 ( -4.095 3.313 -3.023) 6.073 4.820 ( -3.854 -2.458 4.405) 6.348 4.915 ( 0.168 -0.102 1.129) 1.146 4.957 ( 4.937 -1.833 -5.699) 7.759 5.106 ( 1.160 -1.952 -1.581) 2.767 5.146 ( 1.845 2.181 -1.603) 3.276 5.196 ( -0.513 1.523 1.960) 2.535 5.256 ( -0.879 2.934 1.015) 3.227 5.309 ( -0.294 2.566 -1.019) 2.777 5.559 ( 0.761 -0.089 4.860) 4.920 5.754 ( -3.095 4.501 -4.709) 7.212 5.849 ( 0.051 -6.786 2.973) 7.408 5.920 ( 1.795 -4.243 -1.437) 4.826 6.032 ( -3.984 0.020 4.532) 6.034 6.130 ( -1.068 -0.987 -4.202) 4.447 6.328 ( 3.748 0.485 2.243) 4.395 6.401 ( 0.987 4.645 -0.295) 4.758 8.900 ( -0.322 -1.099 0.994) 1.516 8.932 ( -1.225 -0.776 -0.423) 1.510 9.071 ( -0.543 2.857 1.682) 3.359 9.137 ( 1.123 2.042 -3.493) 4.199 9.841 ( 1.311 -2.033 2.064) 3.180 9.888 ( -2.243 -5.425 2.168) 6.258 9.929 ( -1.314 -1.785 1.013) 2.437 10.012 ( -0.578 1.786 -5.237) 5.563 10.630 ( 4.217 -8.821 1.016) 9.830 10.673 ( -1.130 -5.238 1.674) 5.614 10.852 ( -0.979 1.860 3.803) 4.345 10.988 ( 0.164 3.560 -4.952) 6.101 20.269 ( 0.649 1.278 1.657) 2.191 20.318 ( -0.445 2.317 -0.951) 2.544 20.406 ( -1.679 -1.118 6.536) 6.840 20.567 ( 1.650 1.274 -3.131) 3.761 20.779 ( 0.856 -3.817 0.608) 3.958 20.960 ( -1.720 -3.641 -6.130) 7.334 21.188 ( 5.885 2.523 3.050) 7.092 21.416 ( -5.933 9.107 -3.404) 11.390 22.050 ( 0.071 1.224 0.821) 1.476 22.067 ( 0.464 1.662 -0.485) 1.793 22.428 ( 0.408 -5.017 2.785) 5.752 22.539 ( -1.697 -5.878 -2.826) 6.739 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.318 2.805 2.059) 4.181 0.872 ( 2.876 2.809 -3.525) 5.346 0.908 ( 0.068 1.205 4.925) 5.070 0.995 ( 0.760 1.424 -2.437) 2.923 1.077 ( -1.631 4.282 0.664) 4.630 1.115 ( 2.206 0.641 -2.132) 3.134 1.239 ( -1.189 -0.445 0.546) 1.382 1.263 ( 0.275 0.896 -1.637) 1.887 1.452 ( 2.213 -4.426 0.519) 4.975 1.468 ( -1.320 -3.506 -1.108) 3.907 1.508 ( 0.688 -2.416 2.784) 3.750 1.562 ( -0.544 -3.075 -2.420) 3.951 1.686 ( -0.482 3.086 2.646) 4.094 1.711 ( 0.166 3.087 0.188) 3.097 1.736 ( 1.275 8.634 1.279) 8.821 1.799 ( 0.687 1.800 -1.895) 2.703 1.906 ( 0.262 -4.512 1.982) 4.935 1.946 ( -2.434 0.955 -2.656) 3.727 2.215 ( -2.725 -1.289 3.657) 4.739 2.295 ( 1.690 1.977 -3.974) 4.749 2.459 ( -0.150 0.124 5.089) 5.093 2.524 ( 1.698 -0.607 -0.852) 1.994 2.555 ( 1.756 4.594 0.077) 4.919 2.575 ( -3.959 0.398 -0.545) 4.016 2.687 ( 1.327 2.071 -0.974) 2.646 2.707 ( -2.863 3.945 -2.282) 5.382 2.969 ( 3.230 -3.260 5.185) 6.925 3.012 ( -5.231 -0.130 1.981) 5.595 3.088 ( 0.104 2.367 2.855) 3.710 3.116 ( -0.503 -0.288 -1.366) 1.484 3.219 ( -0.385 -1.240 -0.439) 1.371 3.241 ( 2.420 0.123 -0.748) 2.536 3.378 ( -2.693 2.851 5.506) 6.760 3.432 ( -2.245 0.900 0.519) 2.473 3.466 ( 6.094 5.468 -2.482) 8.556 3.501 ( -0.014 -1.894 -5.110) 5.450 3.576 ( 1.502 1.116 5.849) 6.141 3.663 ( -3.829 -0.487 -2.047) 4.368 3.744 ( 5.820 0.252 2.757) 6.445 3.816 ( -3.041 2.710 3.761) 5.544 3.829 ( -6.094 2.295 -4.881) 8.138 3.962 ( 3.243 2.620 -7.751) 8.801 4.121 ( 1.278 -0.155 4.461) 4.643 4.221 ( -1.096 -2.673 -3.917) 4.867 4.273 ( -0.046 -2.304 0.862) 2.460 4.304 ( 4.949 -6.229 -1.262) 8.055 4.430 ( 1.817 4.358 3.112) 5.655 4.504 ( -4.536 2.724 -3.517) 6.353 4.604 ( -1.431 -2.043 1.444) 2.883 4.657 ( 3.155 -3.840 -2.881) 5.744 4.855 ( -2.544 -1.826 4.491) 5.475 4.907 ( -0.424 0.238 0.463) 0.672 5.019 ( 2.516 -1.855 -3.347) 4.580 5.088 ( 0.941 0.519 -6.052) 6.147 5.161 ( 3.055 0.475 0.957) 3.236 5.181 ( -2.102 1.169 0.087) 2.407 5.239 ( 3.010 -1.560 2.753) 4.367 5.278 ( -2.572 -0.938 -1.364) 3.058 5.580 ( -1.186 -0.299 3.230) 3.454 5.650 ( -0.937 2.128 -4.021) 4.645 5.969 ( -3.004 -2.980 1.474) 4.481 5.976 ( 2.683 -0.787 2.934) 4.053 6.022 ( -0.196 -0.345 4.208) 4.227 6.137 ( -1.609 -3.274 -4.807) 6.035 6.287 ( -1.870 4.167 4.115) 6.148 6.377 ( 4.705 1.733 -5.326) 7.315 8.933 ( 0.009 -2.162 0.866) 2.329 8.945 ( -0.404 -1.754 -0.245) 1.817 9.039 ( -0.874 1.293 2.399) 2.862 9.100 ( 0.942 1.115 -3.749) 4.023 9.832 ( -0.400 3.389 4.560) 5.696 9.923 ( -1.399 2.532 -4.344) 5.219 9.978 ( -1.876 -3.963 2.093) 4.859 10.013 ( 1.904 -5.155 -1.071) 5.599 10.680 ( -0.228 4.856 4.299) 6.490 10.752 ( 2.846 0.417 -2.270) 3.665 10.863 ( -2.725 -3.159 1.794) 4.541 10.919 ( 1.459 0.423 -4.223) 4.488 20.257 ( -1.011 0.245 1.198) 1.587 20.284 ( 1.043 1.315 -1.439) 2.211 20.427 ( -1.718 0.594 5.520) 5.812 20.535 ( 1.303 1.832 -5.027) 5.507 20.885 ( 1.584 -4.077 4.746) 6.454 20.975 ( -0.650 -2.028 -4.062) 4.586 21.204 ( 2.019 0.642 4.422) 4.904 21.301 ( -2.345 -3.137 -4.578) 6.025 22.039 ( -0.058 0.409 0.355) 0.544 22.048 ( 0.303 0.564 -0.522) 0.826 22.501 ( -0.248 -1.519 4.442) 4.701 22.589 ( 0.031 -2.510 -4.500) 5.153 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.177 5.785 0.498) 5.809 0.774 ( 3.024 7.850 -0.050) 8.412 0.913 ( 1.965 3.541 6.047) 7.278 0.950 ( -0.774 2.065 -5.710) 6.121 1.032 ( -1.694 0.317 -1.196) 2.098 1.076 ( 2.323 3.024 -2.191) 4.398 1.227 ( -0.476 1.901 1.182) 2.289 1.271 ( 3.138 -0.455 -0.261) 3.182 1.455 ( -2.852 1.337 -0.432) 3.179 1.475 ( -0.084 0.945 0.752) 1.211 1.560 ( -3.287 0.714 0.197) 3.370 1.584 ( -0.936 5.982 -0.105) 6.055 1.602 ( -0.242 2.483 -0.163) 2.501 1.628 ( 4.791 2.230 2.283) 5.756 1.733 ( 0.904 -3.331 1.258) 3.673 1.759 ( 0.078 -0.908 -3.294) 3.418 1.962 ( -3.397 -3.832 -0.588) 5.155 2.002 ( 3.152 -3.915 2.290) 5.524 2.215 ( -1.929 0.625 2.405) 3.146 2.280 ( 3.037 0.712 -1.476) 3.450 2.448 ( -2.537 2.999 2.790) 4.818 2.488 ( 0.561 0.946 1.206) 1.632 2.560 ( -1.112 -3.042 -4.198) 5.302 2.594 ( 4.699 -1.755 1.181) 5.153 2.631 ( -1.906 0.393 -1.277) 2.328 2.675 ( 4.319 1.734 1.200) 4.806 2.964 ( -7.126 0.781 1.651) 7.356 3.011 ( -2.463 2.937 4.550) 5.949 3.064 ( 0.432 2.818 -3.236) 4.312 3.105 ( 3.351 -1.466 -0.215) 3.664 3.228 ( -4.378 -0.125 -1.687) 4.694 3.250 ( -2.297 0.355 1.682) 2.869 3.314 ( 3.750 2.461 2.144) 4.972 3.400 ( 6.203 5.072 -3.715) 8.832 3.469 ( -0.884 -3.248 3.476) 4.839 3.530 ( 0.664 -3.210 -4.492) 5.560 3.576 ( -3.626 0.281 2.577) 4.457 3.643 ( 0.459 1.252 0.834) 1.573 3.723 ( -2.504 3.020 -1.143) 4.086 3.759 ( 0.687 2.269 -1.846) 3.005 3.835 ( 3.381 -1.975 6.431) 7.529 3.915 ( 1.887 0.989 -7.259) 7.566 4.150 ( -2.551 2.196 0.273) 3.377 4.166 ( 0.673 0.799 1.306) 1.673 4.352 ( 1.461 -0.296 -1.374) 2.027 4.357 ( 0.250 -3.524 0.384) 3.554 4.408 ( -4.870 -0.403 -1.927) 5.253 4.526 ( 7.532 -3.529 -1.023) 8.381 4.656 ( -1.226 -4.292 4.069) 6.040 4.727 ( 1.932 -3.037 -3.704) 5.165 4.850 ( -1.838 2.202 3.996) 4.919 4.915 ( 1.480 0.206 -3.585) 3.884 5.023 ( -4.248 -3.791 0.844) 5.756 5.110 ( 0.159 -2.937 -1.808) 3.453 5.141 ( 0.076 0.651 -0.036) 0.657 5.197 ( 3.154 -1.417 -0.957) 3.588 5.281 ( -4.338 -3.395 -0.427) 5.525 5.333 ( 3.197 -3.961 0.252) 5.097 5.570 ( -3.744 0.648 1.474) 4.075 5.639 ( 2.485 -0.977 -1.152) 2.908 5.916 ( -4.296 2.367 0.728) 4.958 5.996 ( 4.655 4.015 0.565) 6.173 6.059 ( -2.943 2.483 7.398) 8.340 6.144 ( -0.145 -1.911 -3.408) 3.910 6.273 ( -0.234 -2.577 2.051) 3.302 6.346 ( 2.844 1.687 -6.962) 7.708 8.960 ( -2.167 -1.751 0.279) 2.800 8.993 ( 1.447 -3.018 0.423) 3.374 9.032 ( -1.914 -0.321 1.961) 2.759 9.093 ( 2.261 -0.836 -2.653) 3.585 9.781 ( -0.811 4.317 3.831) 5.829 9.833 ( 0.930 4.800 -3.106) 5.792 10.039 ( -2.867 -3.100 3.736) 5.638 10.096 ( 0.845 -3.380 -1.526) 3.804 10.560 ( -2.057 10.231 3.243) 10.928 10.656 ( 3.146 8.029 -5.853) 10.423 10.900 ( -3.161 -2.819 1.048) 4.363 10.964 ( 3.162 -2.511 -1.086) 4.181 20.260 ( -1.448 -1.067 -0.283) 1.821 20.272 ( 1.019 1.446 2.032) 2.694 20.406 ( -2.173 1.745 2.426) 3.695 20.483 ( 2.196 2.919 -4.367) 5.694 20.932 ( -1.371 -0.530 3.305) 3.617 20.982 ( 1.295 -0.128 -2.114) 2.483 21.357 ( -2.113 -10.058 -1.213) 10.349 21.378 ( 1.892 -12.588 1.334) 12.800 22.038 ( -0.263 -0.321 0.457) 0.617 22.050 ( 0.485 -0.559 -0.685) 1.009 22.512 ( -2.238 1.566 3.500) 4.440 22.576 ( 0.786 2.194 -3.752) 4.417 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 8.035 0.000 -3.811) 8.893 0.786 ( 5.072 0.000 -2.148) 5.508 0.892 ( -1.766 -0.000 1.779) 2.507 0.915 ( -0.628 -0.000 -3.853) 3.904 0.992 ( 0.308 0.000 2.559) 2.577 1.018 ( 3.552 0.000 -1.484) 3.849 1.225 ( -0.984 -0.000 3.841) 3.965 1.331 ( 1.068 0.000 0.548) 1.200 1.399 ( 10.494 0.000 -1.471) 10.596 1.439 ( -3.200 -0.000 4.777) 5.750 1.473 ( -3.162 -0.000 -2.392) 3.965 1.512 ( -2.016 -0.000 -1.590) 2.568 1.590 ( 2.479 0.000 1.715) 3.015 1.601 ( -4.065 -0.000 -0.378) 4.082 1.768 ( 4.343 0.000 -4.974) 6.603 1.887 ( -5.911 -0.000 -1.795) 6.177 2.115 ( 3.892 0.000 4.716) 6.114 2.138 ( 5.363 0.000 1.506) 5.570 2.297 ( 0.875 0.000 2.287) 2.448 2.330 ( 0.949 0.000 -1.046) 1.412 2.394 ( -2.240 -0.000 0.719) 2.353 2.509 ( -2.954 -0.000 -1.233) 3.201 2.569 ( -3.646 -0.000 -4.286) 5.627 2.637 ( 2.476 0.000 2.159) 3.285 2.722 ( -1.155 -0.000 0.362) 1.210 2.840 ( 2.703 0.000 2.661) 3.793 2.860 ( 6.268 0.000 0.243) 6.272 3.035 ( 1.566 0.000 1.153) 1.945 3.084 ( -2.209 -0.000 2.461) 3.306 3.125 ( 3.712 0.000 -0.309) 3.725 3.200 ( -1.123 -0.000 6.346) 6.445 3.234 ( 5.876 0.000 -4.513) 7.409 3.391 ( 2.199 0.000 -0.362) 2.228 3.453 ( 2.361 0.000 1.321) 2.706 3.497 ( -3.610 -0.000 1.555) 3.931 3.505 ( 8.808 0.000 -2.119) 9.059 3.654 ( 0.087 0.000 -2.236) 2.238 3.729 ( 1.725 0.000 0.957) 1.973 3.787 ( -0.984 -0.000 0.205) 1.005 3.872 ( 8.262 0.000 0.778) 8.299 3.914 ( -0.616 -0.000 6.103) 6.134 4.088 ( -7.698 -0.000 -3.912) 8.635 4.165 ( 1.195 0.000 0.215) 1.214 4.194 ( -3.057 -0.000 9.683) 10.154 4.209 ( -0.453 -0.000 0.146) 0.476 4.426 ( -3.176 -0.000 -6.655) 7.374 4.481 ( 3.944 0.000 -7.033) 8.063 4.505 ( 0.613 0.000 -2.525) 2.598 4.680 ( -4.086 -0.000 2.475) 4.777 4.787 ( -1.852 -0.000 -0.386) 1.892 4.853 ( -2.089 -0.000 -0.724) 2.211 4.876 ( 7.895 0.000 -1.007) 7.959 4.988 ( -3.395 -0.000 -5.780) 6.703 5.049 ( -5.639 -0.000 3.566) 6.672 5.163 ( -2.303 -0.000 0.199) 2.312 5.249 ( -2.369 -0.000 0.693) 2.468 5.348 ( 1.016 0.000 -3.309) 3.461 5.368 ( 1.317 0.000 0.040) 1.317 5.593 ( -2.839 -0.000 0.149) 2.843 5.629 ( -0.961 -0.000 -1.193) 1.532 5.752 ( 0.103 0.000 6.033) 6.034 5.863 ( 2.056 0.000 -0.717) 2.177 5.960 ( 4.971 0.000 2.077) 5.388 6.126 ( -1.227 -0.000 -1.068) 1.627 6.472 ( 2.545 0.000 2.736) 3.736 6.610 ( -0.018 -0.000 1.043) 1.043 8.933 ( -2.401 -0.000 0.487) 2.450 8.943 ( -2.133 -0.000 -0.600) 2.215 9.207 ( 0.915 0.000 0.814) 1.225 9.249 ( 0.128 0.000 -1.950) 1.954 9.650 ( 1.783 0.000 1.662) 2.437 9.720 ( -0.895 -0.000 2.621) 2.769 9.813 ( -1.231 -0.000 0.219) 1.250 9.905 ( -0.747 -0.000 -3.435) 3.515 10.264 ( 0.654 0.000 3.580) 3.639 10.391 ( 1.905 0.000 -4.178) 4.592 10.916 ( 0.097 0.000 3.930) 3.932 11.088 ( 1.450 0.000 -3.805) 4.071 20.249 ( -0.728 -0.000 5.928) 5.973 20.361 ( -1.478 -0.000 -0.852) 1.706 20.437 ( -1.120 -0.000 4.366) 4.507 20.521 ( 6.068 0.000 10.941) 12.511 20.889 ( -6.430 -0.000 -11.496) 13.172 20.958 ( 0.505 0.000 -5.945) 5.966 21.326 ( 4.832 0.000 -4.520) 6.617 21.872 ( -10.671 -0.000 -6.612) 12.554 22.107 ( -0.821 -0.000 3.015) 3.125 22.152 ( -0.267 -0.000 -0.873) 0.913 22.154 ( -0.321 -0.000 -0.099) 0.335 22.183 ( 0.985 0.000 -2.064) 2.287 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 6.907 -1.407 -2.088) 7.351 0.815 ( 1.933 -0.657 -2.455) 3.193 0.881 ( -0.446 -1.416 0.546) 1.582 0.927 ( -6.041 -3.590 -1.351) 7.156 1.002 ( -0.724 -0.599 2.453) 2.626 1.045 ( 3.405 -0.449 -2.035) 3.992 1.248 ( 2.227 0.639 4.700) 5.240 1.347 ( 2.877 0.646 0.265) 2.960 1.369 ( -4.383 2.741 -1.340) 5.340 1.447 ( -2.903 -0.797 -0.035) 3.010 1.464 ( 2.627 0.576 2.322) 3.553 1.516 ( 3.111 0.023 -2.873) 4.235 1.595 ( 0.012 -2.155 0.680) 2.260 1.621 ( 0.237 -1.436 0.754) 1.640 1.779 ( 3.049 -0.543 -2.695) 4.106 1.869 ( -6.551 -3.596 -2.456) 7.866 2.132 ( 4.814 3.294 3.961) 7.051 2.152 ( 1.427 5.096 3.564) 6.380 2.268 ( -0.126 3.026 0.275) 3.041 2.355 ( 2.085 -1.846 -1.631) 3.228 2.390 ( -3.845 -2.361 -0.925) 4.606 2.477 ( -4.291 -1.974 -5.360) 7.144 2.534 ( 0.307 1.219 2.174) 2.511 2.657 ( -1.392 -1.013 -5.255) 5.530 2.781 ( 3.385 -2.348 8.665) 9.594 2.876 ( 0.859 -1.444 3.613) 3.985 2.935 ( 5.745 -2.142 0.268) 6.137 3.004 ( -0.604 5.597 3.512) 6.635 3.051 ( 0.207 -0.311 -1.784) 1.822 3.080 ( 0.829 6.955 -1.944) 7.269 3.252 ( 0.002 -2.149 7.647) 7.943 3.296 ( 6.768 -2.475 -2.319) 7.571 3.382 ( -2.413 2.319 1.272) 3.580 3.446 ( 2.550 -0.047 0.482) 2.596 3.521 ( 1.001 1.643 -6.427) 6.708 3.533 ( -0.457 -1.205 3.099) 3.357 3.664 ( 3.633 -0.801 0.276) 3.730 3.722 ( 2.488 1.739 -1.069) 3.218 3.773 ( -0.744 1.216 0.991) 1.736 3.891 ( -0.635 2.380 4.359) 5.006 3.968 ( 0.966 -0.672 2.645) 2.895 4.003 ( -6.918 -2.078 -6.611) 9.792 4.149 ( -0.091 2.293 0.393) 2.328 4.194 ( -0.474 1.699 4.899) 5.206 4.218 ( -3.520 -1.688 -0.373) 3.922 4.323 ( 0.567 5.820 -3.941) 7.051 4.491 ( 4.056 -0.862 -3.925) 5.710 4.538 ( 1.202 -2.088 -3.284) 4.073 4.656 ( -3.602 0.495 0.235) 3.643 4.726 ( -1.442 3.764 3.711) 5.478 4.849 ( -0.831 2.391 -2.209) 3.360 4.891 ( -0.518 0.307 0.334) 0.688 4.929 ( 2.301 -0.077 -3.649) 4.314 5.045 ( -3.087 -2.074 -1.667) 4.075 5.159 ( 0.345 -0.290 0.266) 0.523 5.230 ( -0.786 0.981 -1.245) 1.769 5.344 ( -2.418 0.084 1.542) 2.869 5.398 ( 2.402 -0.549 -2.221) 3.317 5.572 ( 1.425 -1.226 3.614) 4.074 5.678 ( -1.264 -4.427 -1.472) 4.833 5.725 ( 0.460 2.912 4.509) 5.387 5.877 ( -0.528 -0.096 -2.021) 2.091 6.044 ( 2.524 -1.835 1.676) 3.542 6.109 ( -1.270 -0.631 -1.808) 2.298 6.433 ( 4.022 6.951 4.274) 9.097 6.573 ( -1.771 3.881 -0.232) 4.272 8.906 ( -1.268 1.089 0.618) 1.782 8.925 ( -1.223 0.200 -0.636) 1.393 9.188 ( -0.239 2.862 0.917) 3.015 9.222 ( 0.736 2.265 -2.117) 3.186 9.698 ( 2.105 -3.019 0.841) 3.775 9.735 ( -1.190 -2.071 1.328) 2.733 9.849 ( -3.297 -4.659 3.313) 6.600 9.958 ( 0.302 -5.786 -5.641) 8.087 10.327 ( 0.366 -5.382 4.370) 6.942 10.425 ( 1.746 -4.418 -3.233) 5.747 10.928 ( 0.424 1.191 4.599) 4.770 11.069 ( 0.565 1.105 -4.381) 4.553 20.276 ( 0.107 -0.612 4.908) 4.947 20.352 ( -1.170 -0.703 -0.478) 1.447 20.433 ( -1.501 1.979 6.188) 6.668 20.617 ( 4.129 0.026 10.672) 11.443 20.753 ( -3.536 3.224 -13.366) 14.197 20.918 ( 0.248 1.418 -7.128) 7.272 21.335 ( 9.528 4.136 1.776) 10.538 21.702 ( -10.911 5.022 -8.328) 14.616 22.101 ( -0.208 1.238 2.303) 2.623 22.144 ( 0.259 1.985 -0.945) 2.214 22.199 ( 0.514 -5.853 0.722) 5.919 22.259 ( -1.389 -8.385 -1.590) 8.647 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.392 -2.871 -0.149) 3.194 0.838 ( 2.195 -3.348 -3.250) 5.157 0.913 ( -2.903 -0.659 2.522) 3.902 0.950 ( 2.199 -5.322 -1.293) 5.902 1.035 ( -2.130 -3.353 0.923) 4.078 1.066 ( 2.240 -0.235 -1.852) 2.916 1.267 ( 2.402 0.709 3.521) 4.321 1.319 ( -2.205 -0.445 -1.232) 2.564 1.351 ( 2.441 2.185 0.994) 3.424 1.385 ( -3.544 3.006 -1.996) 5.058 1.482 ( 0.489 -0.523 1.689) 1.835 1.520 ( 0.947 0.074 -2.456) 2.633 1.657 ( -0.736 -3.570 2.085) 4.199 1.690 ( 1.691 -5.394 -0.647) 5.689 1.804 ( 3.345 0.907 1.763) 3.888 1.848 ( -5.828 -1.011 -2.344) 6.363 2.049 ( 0.196 7.323 2.611) 7.777 2.097 ( -0.735 5.940 -1.190) 6.102 2.218 ( 1.435 2.392 4.472) 5.270 2.343 ( -1.992 0.386 -6.576) 6.882 2.443 ( -0.783 -3.011 1.957) 3.675 2.483 ( 0.025 -2.959 -2.067) 3.609 2.547 ( -0.051 -0.535 3.343) 3.386 2.625 ( -0.286 0.111 -4.455) 4.466 2.838 ( 3.687 4.954 4.822) 7.835 2.893 ( -2.953 5.746 -0.065) 6.461 2.932 ( -0.222 -0.629 3.556) 3.618 2.985 ( 0.425 -0.364 -1.604) 1.699 3.017 ( 1.147 -1.913 2.238) 3.160 3.073 ( 1.392 -2.088 -1.375) 2.861 3.252 ( -3.682 3.626 4.649) 6.951 3.329 ( 3.579 2.009 -2.023) 4.576 3.397 ( 1.516 -2.553 1.829) 3.487 3.448 ( -2.675 1.316 -2.832) 4.112 3.482 ( 2.152 0.510 4.093) 4.652 3.565 ( 1.440 -2.096 -1.307) 2.859 3.668 ( -0.832 2.672 0.769) 2.902 3.702 ( 0.021 2.946 -0.500) 2.989 3.771 ( 7.253 1.415 1.215) 7.489 3.819 ( -9.301 1.501 -1.650) 9.564 3.930 ( -3.392 0.763 2.684) 4.392 4.024 ( 1.429 -0.975 -4.555) 4.872 4.130 ( -0.424 -0.433 2.479) 2.552 4.166 ( -3.571 1.298 4.996) 6.277 4.204 ( 0.384 1.147 -3.986) 4.165 4.246 ( 4.794 2.474 -3.563) 6.465 4.539 ( 4.775 -1.747 -1.844) 5.409 4.554 ( -0.799 -1.001 -2.092) 2.453 4.597 ( -1.860 3.325 1.015) 3.943 4.663 ( -1.404 4.062 -1.950) 4.719 4.788 ( -4.345 0.367 4.127) 6.004 4.903 ( -0.067 -0.761 -2.925) 3.023 4.958 ( 5.073 -0.886 0.144) 5.152 5.053 ( -0.038 -2.239 -5.408) 5.854 5.177 ( 2.000 -0.340 0.377) 2.063 5.200 ( -1.002 0.543 -1.110) 1.591 5.312 ( -1.759 2.795 3.657) 4.927 5.374 ( 1.289 4.012 -2.365) 4.832 5.625 ( 1.523 1.440 7.683) 7.963 5.740 ( -2.155 -2.267 -4.525) 5.501 5.755 ( 1.241 -4.679 3.645) 6.059 5.841 ( -1.402 -1.433 -4.366) 4.805 6.041 ( -1.609 1.676 3.366) 4.090 6.115 ( 1.568 -0.418 -3.911) 4.234 6.405 ( 4.315 3.303 4.620) 7.132 6.466 ( -2.940 4.617 -1.678) 5.725 8.895 ( 0.169 -0.014 1.107) 1.120 8.913 ( -0.676 -0.136 -0.676) 0.966 9.130 ( -0.832 3.596 1.527) 3.995 9.172 ( 0.722 2.831 -2.710) 3.984 9.782 ( -1.907 -5.179 1.276) 5.665 9.795 ( 2.029 -4.675 0.128) 5.098 9.902 ( -2.790 -1.942 4.316) 5.494 9.999 ( 1.051 -1.107 -5.345) 5.558 10.486 ( -1.834 -10.199 3.181) 10.839 10.542 ( 3.407 -8.369 -2.287) 9.321 10.920 ( 0.494 2.639 4.889) 5.578 11.018 ( -0.278 2.555 -4.988) 5.611 20.305 ( 0.969 0.426 2.893) 3.081 20.344 ( -0.827 1.139 -1.352) 1.952 20.416 ( -2.179 1.014 9.007) 9.323 20.601 ( 1.229 3.643 -6.985) 7.973 20.727 ( 0.874 -3.282 4.022) 5.264 20.873 ( -0.680 -0.827 -8.039) 8.110 21.350 ( 9.467 5.708 5.135) 12.189 21.474 ( -8.969 7.141 -7.545) 13.725 22.081 ( -0.241 1.779 1.443) 2.303 22.103 ( 0.228 2.276 -0.736) 2.403 22.337 ( 1.223 -7.389 2.341) 7.847 22.386 ( -1.140 -8.658 -2.657) 9.128 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -5.066 -1.223 0.547) 5.240 0.884 ( 2.433 -0.994 -1.716) 3.139 0.945 ( -0.644 -1.757 3.051) 3.579 1.006 ( 0.230 1.286 -3.333) 3.580 1.061 ( -3.453 -1.717 -1.207) 4.041 1.127 ( 4.443 -3.839 1.029) 5.961 1.257 ( -1.979 2.601 -1.049) 3.433 1.302 ( 3.868 1.798 1.278) 4.452 1.364 ( 0.653 -4.414 1.567) 4.729 1.370 ( -0.745 -3.345 -1.693) 3.822 1.505 ( 1.039 -0.728 1.269) 1.795 1.513 ( -0.744 -0.803 -2.868) 3.069 1.724 ( -2.031 -1.137 -0.190) 2.335 1.746 ( 1.805 -1.038 0.586) 2.163 1.796 ( -3.431 0.420 0.936) 3.581 1.835 ( 0.700 -0.754 1.025) 1.452 1.933 ( -5.042 4.957 -4.103) 8.175 1.959 ( 2.724 8.075 3.787) 9.325 2.224 ( 0.151 1.370 5.460) 5.631 2.308 ( 2.086 0.089 -5.942) 6.298 2.452 ( -4.567 -0.102 1.999) 4.986 2.528 ( 1.624 -1.670 0.154) 2.334 2.559 ( -1.949 -0.203 1.277) 2.339 2.629 ( 4.276 0.228 -2.025) 4.737 2.720 ( -5.502 6.118 0.281) 8.233 2.799 ( 3.212 6.235 1.271) 7.128 2.962 ( -0.510 -2.154 1.253) 2.544 2.975 ( -0.446 0.003 0.169) 0.477 3.096 ( -0.861 -2.883 1.388) 3.313 3.105 ( -0.758 -1.222 1.138) 1.834 3.189 ( -2.313 1.303 2.883) 3.919 3.311 ( 5.939 2.841 -4.243) 7.832 3.390 ( -3.180 0.065 2.695) 4.169 3.450 ( 0.469 0.032 -0.555) 0.728 3.471 ( -4.058 2.753 1.511) 5.131 3.550 ( -2.931 1.451 -4.083) 5.231 3.630 ( 0.179 3.194 0.830) 3.305 3.669 ( 4.689 1.146 4.144) 6.362 3.726 ( -7.716 -1.206 -4.718) 9.125 3.817 ( 6.978 1.428 3.405) 7.895 3.886 ( -3.363 3.889 4.732) 6.988 4.014 ( 3.242 1.237 -6.425) 7.302 4.139 ( -2.817 -0.408 2.841) 4.021 4.170 ( 1.064 -1.010 -0.194) 1.479 4.188 ( -2.542 -2.934 -2.602) 4.673 4.273 ( 6.227 -1.273 -2.588) 6.862 4.511 ( -3.284 3.856 0.091) 5.066 4.551 ( -2.798 -0.130 -1.652) 3.252 4.576 ( 3.312 3.838 0.320) 5.080 4.616 ( 4.907 -3.140 -1.948) 6.143 4.803 ( -3.342 -2.583 6.674) 7.899 4.901 ( -0.092 -0.592 -2.359) 2.433 4.997 ( -1.283 -0.535 -1.727) 2.217 5.072 ( 5.228 -0.917 -6.194) 8.157 5.176 ( -2.030 0.687 -0.796) 2.286 5.213 ( 3.185 -0.614 1.366) 3.520 5.262 ( -1.547 2.580 1.390) 3.314 5.290 ( 0.389 4.165 -0.477) 4.211 5.611 ( -2.863 2.251 3.426) 5.000 5.673 ( 1.453 3.821 -1.308) 4.292 5.877 ( -0.792 -5.965 2.420) 6.486 5.922 ( 0.622 -7.543 -3.272) 8.246 6.021 ( -2.153 0.763 5.795) 6.229 6.121 ( 4.146 0.500 -3.524) 5.464 6.346 ( -4.028 3.687 0.924) 5.538 6.418 ( 2.751 1.977 -2.153) 4.014 8.912 ( 0.086 -0.739 0.536) 0.917 8.919 ( 0.604 -1.226 0.162) 1.376 9.076 ( -1.061 2.658 2.329) 3.690 9.120 ( 0.777 2.198 -3.078) 3.861 9.853 ( -3.823 -4.565 1.101) 6.055 9.887 ( 1.352 -1.474 3.262) 3.826 9.929 ( 0.106 -3.054 1.224) 3.292 9.981 ( 2.010 1.403 -3.766) 4.494 10.626 ( -4.390 -8.202 1.110) 9.369 10.715 ( 4.491 -6.831 -1.845) 8.381 10.889 ( 0.138 3.919 4.655) 6.087 10.941 ( 0.256 3.074 -4.912) 5.800 20.276 ( -1.693 2.349 1.136) 3.110 20.318 ( 1.905 1.877 -1.096) 2.890 20.438 ( -2.532 -0.445 7.368) 7.804 20.548 ( 2.047 0.949 -6.178) 6.577 20.823 ( -1.138 -4.642 3.294) 5.804 20.881 ( 0.825 -4.661 -4.636) 6.626 21.267 ( -6.197 4.783 -3.811) 8.706 21.341 ( 7.079 6.577 3.295) 10.209 22.055 ( -0.418 1.343 0.631) 1.542 22.068 ( 0.284 1.689 -0.726) 1.861 22.450 ( -2.160 -5.004 1.976) 5.797 22.515 ( 3.250 -5.827 -1.855) 6.925 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -2.878 -0.170 2.090) 3.561 0.886 ( 1.884 3.232 -2.732) 4.632 0.934 ( -1.062 2.074 -0.037) 2.331 0.970 ( -0.457 -0.421 -1.741) 1.849 1.040 ( -0.692 1.206 1.096) 1.770 1.142 ( 0.504 3.116 -1.555) 3.519 1.276 ( 4.670 -1.418 1.145) 5.013 1.293 ( 3.581 2.474 -0.021) 4.353 1.416 ( -2.751 -2.207 -1.275) 3.750 1.461 ( -1.317 -3.459 0.116) 3.703 1.520 ( -0.974 -1.626 -1.679) 2.532 1.555 ( 0.836 -4.744 1.030) 4.926 1.687 ( 0.160 4.833 0.585) 4.871 1.710 ( -1.577 1.015 0.392) 1.916 1.744 ( -2.171 2.189 -4.322) 5.309 1.774 ( 0.440 7.403 1.133) 7.502 1.893 ( -1.359 -1.684 0.691) 2.272 1.961 ( 2.125 -4.014 2.915) 5.397 2.225 ( -0.337 0.407 3.337) 3.379 2.307 ( 2.749 0.457 -2.041) 3.454 2.422 ( -4.064 -1.703 -0.469) 4.431 2.515 ( -0.611 1.905 -0.682) 2.114 2.576 ( -1.377 5.155 0.367) 5.348 2.611 ( 0.700 -2.446 3.172) 4.067 2.653 ( 4.879 1.400 -0.017) 5.076 2.754 ( 3.323 2.764 2.071) 4.792 2.925 ( -4.939 1.159 -0.935) 5.158 3.020 ( -3.460 -1.497 1.402) 4.023 3.098 ( -1.225 1.017 0.927) 1.842 3.111 ( 1.161 0.943 1.920) 2.434 3.199 ( 0.779 -1.103 -0.992) 1.676 3.268 ( -2.390 3.917 0.106) 4.590 3.370 ( 2.013 0.988 0.062) 2.243 3.419 ( -1.773 -1.908 3.314) 4.215 3.455 ( 0.072 0.001 -4.076) 4.077 3.510 ( -0.671 -0.875 -2.817) 3.025 3.559 ( -2.678 3.256 -1.105) 4.358 3.679 ( -2.053 0.392 -3.436) 4.022 3.721 ( 3.417 0.440 5.408) 6.412 3.803 ( -3.158 3.089 3.414) 5.583 3.876 ( 5.622 0.306 4.921) 7.478 3.970 ( 4.593 3.930 -5.777) 8.361 4.133 ( -3.520 -0.112 -4.404) 5.639 4.178 ( -0.666 -1.422 4.118) 4.407 4.241 ( -3.062 -5.556 -2.246) 6.730 4.324 ( 1.935 -1.322 -4.086) 4.710 4.427 ( 1.051 3.531 -0.588) 3.731 4.565 ( -3.606 -4.095 -0.268) 5.463 4.582 ( 7.466 0.741 2.732) 7.985 4.696 ( 4.368 -2.384 -2.299) 5.481 4.861 ( -3.221 -2.309 5.821) 7.042 4.898 ( -0.009 -0.384 -0.902) 0.981 4.951 ( -4.168 0.104 -2.841) 5.045 5.085 ( 0.361 0.949 -1.555) 1.857 5.157 ( 2.413 -0.424 -4.119) 4.793 5.207 ( -3.693 -0.004 -1.649) 4.044 5.226 ( 2.596 1.779 1.877) 3.664 5.299 ( 1.462 -2.290 -0.392) 2.745 5.584 ( -0.996 0.906 3.821) 4.051 5.633 ( 0.355 1.118 0.071) 1.175 5.916 ( -2.558 0.247 0.503) 2.619 6.027 ( -0.356 -4.772 -4.020) 6.250 6.071 ( -0.309 -3.475 9.132) 9.776 6.118 ( 4.077 2.602 -1.219) 4.988 6.269 ( -3.358 1.821 1.805) 4.224 6.376 ( 2.073 2.634 -7.070) 7.824 8.925 ( -0.764 -0.926 0.248) 1.226 8.957 ( 0.764 -2.105 0.443) 2.283 9.041 ( -1.354 1.515 2.068) 2.899 9.095 ( 1.917 0.356 -2.319) 3.030 9.844 ( -1.870 2.483 1.210) 3.336 9.913 ( 1.863 2.380 1.962) 3.604 9.964 ( -1.612 -2.850 1.432) 3.574 10.027 ( 1.251 -4.697 -1.599) 5.117 10.680 ( -2.186 1.673 1.141) 2.980 10.742 ( -0.582 2.514 -5.037) 5.660 10.855 ( -0.417 1.082 3.693) 3.870 10.935 ( 3.094 -2.636 -2.024) 4.541 20.244 ( -1.238 0.423 0.967) 1.627 20.299 ( 1.629 0.983 -1.132) 2.213 20.431 ( -3.046 1.550 3.736) 5.064 20.527 ( 2.349 1.586 -2.855) 4.023 20.870 ( -3.950 -4.419 -1.912) 6.228 20.980 ( 2.357 -2.060 0.609) 3.189 21.211 ( -2.009 -4.382 -3.335) 5.862 21.306 ( 3.360 1.685 3.652) 5.241 22.038 ( -0.251 0.486 0.061) 0.550 22.048 ( 0.276 0.354 -0.480) 0.657 22.494 ( -2.987 -1.706 0.827) 3.538 22.595 ( 2.902 -1.023 -0.478) 3.114 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 3.619 0.000 0.079) 3.620 0.785 ( -7.908 -0.000 -1.136) 7.989 0.854 ( 2.314 0.000 0.089) 2.316 0.862 ( -1.024 -0.000 -0.854) 1.333 0.997 ( -2.636 -0.000 3.006) 3.998 1.062 ( 3.696 0.000 -3.309) 4.961 1.299 ( 4.368 0.000 4.499) 6.271 1.365 ( -2.441 -0.000 -2.252) 3.321 1.377 ( -5.184 -0.000 -0.443) 5.202 1.383 ( 1.497 0.000 0.696) 1.651 1.507 ( -1.134 -0.000 1.402) 1.803 1.525 ( 1.378 0.000 -0.722) 1.556 1.591 ( 4.236 0.000 1.325) 4.438 1.613 ( -0.412 -0.000 -0.975) 1.058 1.747 ( -8.166 -0.000 -0.151) 8.168 1.801 ( 5.146 0.000 -4.504) 6.839 2.227 ( 3.754 0.000 6.132) 7.190 2.250 ( 4.200 0.000 3.017) 5.171 2.289 ( -3.296 -0.000 1.108) 3.477 2.315 ( -3.380 -0.000 -0.619) 3.437 2.355 ( 1.718 0.000 -1.837) 2.516 2.378 ( -5.404 -0.000 -5.923) 8.018 2.555 ( -0.521 -0.000 2.653) 2.703 2.631 ( 1.451 0.000 -5.337) 5.530 2.833 ( 3.968 0.000 10.094) 10.846 2.870 ( -2.417 -0.000 3.532) 4.280 2.946 ( 4.363 0.000 -3.496) 5.591 3.011 ( -2.638 -0.000 -6.847) 7.337 3.072 ( -1.567 -0.000 4.448) 4.716 3.152 ( 1.672 0.000 -3.460) 3.842 3.264 ( 0.070 0.000 9.288) 9.288 3.332 ( 6.181 0.000 1.122) 6.282 3.371 ( -7.456 -0.000 -1.566) 7.619 3.431 ( 4.072 0.000 -3.906) 5.643 3.533 ( 0.126 0.000 2.710) 2.713 3.556 ( 2.078 0.000 -0.754) 2.210 3.675 ( 0.792 0.000 0.345) 0.864 3.745 ( 2.171 0.000 -2.979) 3.686 3.783 ( 0.617 0.000 2.322) 2.402 3.859 ( -11.331 -0.000 -6.452) 13.039 3.940 ( -1.987 -0.000 5.481) 5.830 4.002 ( 5.923 0.000 -0.230) 5.928 4.162 ( -3.338 -0.000 -1.643) 3.721 4.186 ( 2.033 0.000 -2.091) 2.917 4.230 ( -2.330 -0.000 8.865) 9.166 4.374 ( 1.965 0.000 -4.751) 5.141 4.493 ( 2.760 0.000 -2.870) 3.982 4.507 ( 0.528 0.000 -2.042) 2.109 4.649 ( -2.325 -0.000 5.046) 5.556 4.783 ( -2.026 -0.000 6.561) 6.867 4.787 ( -3.984 -0.000 -6.850) 7.925 4.903 ( 0.060 0.000 -3.844) 3.844 4.972 ( 6.206 0.000 -0.655) 6.240 4.988 ( -2.963 -0.000 -0.505) 3.006 5.166 ( 1.042 0.000 1.785) 2.067 5.233 ( 0.444 0.000 -1.738) 1.793 5.340 ( 0.355 0.000 -1.260) 1.309 5.384 ( 1.743 0.000 -2.362) 2.935 5.573 ( -0.494 -0.000 1.906) 1.969 5.605 ( -0.211 -0.000 -1.270) 1.287 5.801 ( -0.369 -0.000 5.118) 5.132 5.879 ( 1.594 0.000 -2.771) 3.196 6.050 ( 2.828 0.000 2.511) 3.782 6.085 ( -2.643 -0.000 -1.211) 2.907 6.542 ( 2.204 0.000 3.734) 4.336 6.590 ( -2.298 -0.000 -0.996) 2.505 8.910 ( -0.720 -0.000 0.561) 0.913 8.921 ( 0.045 0.000 -0.448) 0.450 9.215 ( -0.824 -0.000 0.965) 1.269 9.240 ( 0.475 0.000 -1.527) 1.599 9.702 ( 2.089 0.000 2.738) 3.444 9.710 ( -2.564 -0.000 1.345) 2.896 9.802 ( -0.591 -0.000 0.665) 0.890 9.860 ( 0.114 0.000 -4.326) 4.328 10.298 ( -1.165 -0.000 4.421) 4.572 10.390 ( 2.539 0.000 -4.616) 5.269 10.963 ( 0.409 0.000 4.948) 4.965 11.060 ( -0.084 -0.000 -4.848) 4.848 20.293 ( 0.479 0.000 4.554) 4.579 20.333 ( -0.841 -0.000 -0.711) 1.102 20.472 ( -1.007 -0.000 8.425) 8.485 20.672 ( 0.295 0.000 -0.620) 0.687 20.728 ( 0.010 0.000 -0.750) 0.750 20.909 ( 1.114 0.000 -8.735) 8.806 21.474 ( 12.429 0.000 3.237) 12.844 21.604 ( -12.139 -0.000 -10.149) 15.823 22.121 ( -0.988 -0.000 3.224) 3.371 22.147 ( 0.009 0.000 -0.001) 0.009 22.150 ( -0.065 -0.000 -0.157) 0.170 22.179 ( 0.870 0.000 -2.572) 2.716 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -9.369 -1.891 -0.666) 9.581 0.789 ( -1.388 -1.467 0.114) 2.022 0.887 ( 0.977 -2.016 0.672) 2.339 0.900 ( 2.125 -2.302 0.785) 3.229 0.999 ( -1.440 -1.526 2.334) 3.138 1.066 ( 1.625 0.057 -3.761) 4.098 1.302 ( -2.141 1.292 -0.241) 2.512 1.333 ( 3.657 2.323 2.789) 5.152 1.362 ( -3.638 -1.033 -1.720) 4.155 1.423 ( 4.679 1.052 0.487) 4.820 1.467 ( -5.287 -0.297 1.875) 5.618 1.520 ( -1.327 0.037 -2.210) 2.578 1.601 ( -1.841 -0.725 -0.395) 2.017 1.644 ( 3.210 -1.904 -0.480) 3.762 1.739 ( -4.920 -3.622 0.979) 6.187 1.840 ( 4.420 -0.863 -0.144) 4.506 2.164 ( -3.176 6.394 1.390) 7.273 2.222 ( 1.519 6.129 -1.446) 6.478 2.276 ( -0.359 0.682 4.407) 4.474 2.296 ( -2.478 -0.204 -2.833) 3.770 2.378 ( -1.152 -3.418 0.469) 3.637 2.416 ( 2.603 -3.882 0.042) 4.674 2.555 ( -1.017 0.457 1.795) 2.113 2.624 ( 3.090 -0.167 -3.334) 4.549 2.877 ( -3.975 -2.630 2.327) 5.304 2.922 ( 2.021 -1.084 6.244) 6.651 2.944 ( -2.544 2.290 -4.329) 5.519 2.976 ( -0.335 -1.266 -0.795) 1.532 3.034 ( -1.136 1.508 -1.275) 2.278 3.092 ( 2.392 5.364 -2.058) 6.223 3.278 ( -7.218 1.889 0.896) 7.515 3.343 ( 0.296 -2.882 5.011) 5.789 3.393 ( 0.382 -2.468 -1.359) 2.843 3.431 ( 4.185 1.838 -4.681) 6.542 3.500 ( -3.545 2.751 -0.565) 4.522 3.576 ( 4.906 0.192 -0.346) 4.922 3.673 ( -2.986 0.222 2.018) 3.610 3.721 ( -5.111 0.021 -4.663) 6.918 3.767 ( -1.650 1.421 1.000) 2.396 3.843 ( 2.732 -3.020 4.222) 5.866 3.945 ( 0.874 1.141 4.440) 4.667 4.018 ( 1.085 1.661 -3.834) 4.317 4.122 ( -3.004 0.599 1.321) 3.336 4.170 ( -1.522 2.355 2.223) 3.578 4.243 ( 2.687 0.721 1.912) 3.375 4.335 ( 4.969 4.009 -4.808) 7.992 4.502 ( -2.559 -1.361 -3.288) 4.383 4.525 ( 1.034 -2.144 -1.491) 2.809 4.655 ( -0.424 1.913 7.273) 7.532 4.696 ( -3.163 2.592 -3.900) 5.651 4.792 ( -2.780 0.918 5.433) 6.172 4.889 ( 1.810 0.311 -3.184) 3.676 4.973 ( -0.752 -0.757 -2.570) 2.783 5.025 ( 7.263 -0.453 -1.148) 7.367 5.187 ( 1.588 -0.253 1.322) 2.082 5.209 ( 1.054 1.601 -3.827) 4.281 5.334 ( -1.916 -0.025 3.395) 3.898 5.419 ( 3.444 -0.266 -4.025) 5.304 5.611 ( -2.114 -4.743 -0.582) 5.225 5.637 ( 1.728 -3.106 1.444) 3.837 5.774 ( -2.498 3.305 4.033) 5.782 5.863 ( 3.224 2.140 -3.218) 5.033 6.057 ( -2.395 -0.032 0.764) 2.514 6.092 ( 1.158 -1.468 -0.874) 2.064 6.503 ( -4.496 5.494 -2.047) 7.389 6.535 ( 2.822 4.187 3.289) 6.026 8.907 ( 0.627 0.376 0.963) 1.209 8.916 ( 0.763 0.715 -0.325) 1.095 9.185 ( -1.290 2.779 1.489) 3.407 9.214 ( 0.341 2.389 -1.674) 2.937 9.699 ( -3.015 -2.200 0.823) 3.822 9.752 ( 2.662 -2.220 -0.472) 3.498 9.844 ( -1.870 -4.674 5.459) 7.426 9.929 ( 2.051 -5.926 -4.634) 7.797 10.343 ( -2.713 -4.730 3.493) 6.476 10.435 ( 3.523 -5.680 -4.568) 8.096 10.978 ( 0.094 1.139 4.879) 5.011 11.024 ( -0.704 1.241 -5.120) 5.315 20.322 ( 0.508 -0.365 2.286) 2.370 20.334 ( 0.369 -0.811 -0.492) 1.017 20.486 ( -1.231 2.889 11.645) 12.061 20.614 ( 0.004 1.896 -11.023) 11.185 20.752 ( 1.280 0.828 9.527) 9.648 20.845 ( -0.112 2.297 -11.094) 11.329 21.434 ( -11.052 3.092 -8.696) 14.399 21.564 ( 12.940 4.416 5.246) 14.645 22.114 ( -0.678 1.374 2.123) 2.618 22.133 ( -0.359 1.520 -0.868) 1.787 22.226 ( -0.594 -6.591 -2.006) 6.915 22.232 ( 2.261 -7.498 1.052) 7.902 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -7.844 -4.712 1.272) 9.238 0.820 ( -2.341 -4.965 -2.044) 5.858 0.889 ( -2.053 -1.780 0.848) 2.846 1.003 ( 0.307 -1.810 1.369) 2.290 1.035 ( 2.561 -0.701 -1.596) 3.098 1.078 ( 1.787 -4.106 -0.260) 4.485 1.266 ( -1.692 2.101 -3.679) 4.562 1.313 ( -0.927 -0.666 1.849) 2.173 1.351 ( 1.971 0.699 1.003) 2.320 1.411 ( 1.463 2.739 2.057) 3.725 1.479 ( -2.672 -3.065 -0.848) 4.154 1.496 ( -0.431 0.405 -1.925) 2.014 1.630 ( -2.774 -4.511 2.166) 5.721 1.689 ( -0.750 -2.731 -2.412) 3.720 1.757 ( -2.147 -1.357 -0.184) 2.547 1.867 ( -0.360 1.807 3.507) 3.961 2.028 ( -1.456 8.136 -0.360) 8.273 2.115 ( 0.747 5.782 1.914) 6.136 2.257 ( -0.342 -0.040 -3.562) 3.579 2.304 ( 0.700 -0.315 3.422) 3.507 2.413 ( -1.829 -1.120 1.118) 2.419 2.489 ( -0.424 -3.009 2.657) 4.036 2.552 ( 0.984 0.319 -1.829) 2.102 2.656 ( 3.957 -0.419 0.517) 4.012 2.785 ( -5.282 6.751 -2.483) 8.924 2.919 ( -2.764 1.829 1.113) 3.496 2.923 ( -2.197 -0.684 -1.636) 2.823 2.981 ( 1.659 0.678 0.693) 1.921 3.034 ( -1.008 -1.864 -0.124) 2.123 3.064 ( 1.658 -1.975 -2.101) 3.327 3.206 ( -4.620 1.012 1.917) 5.103 3.358 ( -3.476 -0.092 -1.798) 3.915 3.392 ( 3.377 1.617 0.444) 3.771 3.427 ( -4.841 -1.155 -4.564) 6.753 3.467 ( 1.745 -0.238 1.728) 2.468 3.553 ( -4.592 3.725 -0.229) 5.917 3.625 ( -5.071 1.159 -0.968) 5.291 3.681 ( 0.239 -0.186 -2.051) 2.073 3.759 ( 4.395 2.051 2.705) 5.554 3.922 ( -1.579 4.657 0.822) 4.986 3.949 ( -0.684 -5.010 2.040) 5.452 3.975 ( 4.944 2.230 4.967) 7.354 4.106 ( -1.571 -0.204 -0.679) 1.724 4.143 ( -0.994 0.605 2.332) 2.606 4.228 ( 2.551 4.153 -2.197) 5.346 4.317 ( 5.360 0.837 -2.769) 6.091 4.471 ( -3.230 -0.360 -3.689) 4.916 4.553 ( -2.275 -1.482 -3.086) 4.111 4.612 ( 0.088 3.036 3.191) 4.405 4.660 ( 2.656 1.169 1.817) 3.424 4.792 ( -1.784 -0.338 6.386) 6.639 4.882 ( 0.583 0.054 -1.884) 1.973 4.967 ( -0.594 -0.326 -4.032) 4.089 5.095 ( 7.933 -0.618 -1.980) 8.199 5.178 ( 0.522 1.297 -2.525) 2.886 5.216 ( 1.834 -1.001 0.510) 2.150 5.317 ( -1.306 2.504 3.121) 4.209 5.366 ( -0.019 5.326 -2.058) 5.710 5.623 ( -4.097 2.768 -1.400) 5.138 5.719 ( -0.291 -6.397 0.919) 6.469 5.784 ( 1.295 -4.990 0.196) 5.159 5.844 ( 2.943 2.964 2.026) 4.642 6.050 ( -1.477 0.423 4.425) 4.684 6.123 ( 3.573 -1.924 -4.785) 6.274 6.353 ( -6.287 3.814 -3.376) 8.091 6.492 ( 1.727 4.570 1.384) 5.077 8.910 ( 0.942 0.330 -0.405) 1.077 8.923 ( 1.862 -0.180 1.310) 2.284 9.127 ( -1.600 3.228 2.101) 4.171 9.159 ( 0.381 3.049 -2.062) 3.701 9.740 ( -3.508 -4.894 0.607) 6.052 9.833 ( 2.187 -4.971 -0.596) 5.463 9.924 ( -0.360 -1.864 6.314) 6.594 9.996 ( 3.357 -1.205 -3.356) 4.897 10.435 ( -4.588 -8.513 0.681) 9.695 10.596 ( 4.369 -9.773 -3.680) 11.320 10.962 ( -0.412 2.589 -2.285) 3.478 10.971 ( -0.074 2.128 2.036) 2.946 20.303 ( -1.434 2.030 -1.091) 2.714 20.357 ( 1.702 0.440 0.664) 1.880 20.458 ( -3.038 2.217 7.461) 8.356 20.560 ( 2.889 1.818 -4.547) 5.686 20.769 ( -1.838 -0.366 -6.813) 7.066 20.814 ( 1.386 -3.247 5.398) 6.450 21.257 ( -8.334 3.855 -6.183) 11.070 21.573 ( 10.418 8.724 5.345) 14.602 22.081 ( -1.040 2.011 0.713) 2.373 22.098 ( -0.053 1.914 -0.681) 2.032 22.331 ( -1.050 -6.932 -0.899) 7.069 22.422 ( 4.907 -8.970 0.678) 10.247 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -4.896 -3.369 2.931) 6.627 0.883 ( -1.265 -4.738 -2.392) 5.456 0.911 ( -2.617 -1.162 -1.817) 3.391 0.985 ( -1.989 2.629 1.551) 3.644 1.040 ( 1.839 -0.742 -1.290) 2.366 1.151 ( -1.784 -0.958 -1.293) 2.402 1.269 ( 4.006 -3.497 -0.179) 5.321 1.349 ( 0.863 0.633 -0.048) 1.072 1.367 ( -1.146 -2.852 1.498) 3.419 1.407 ( 4.309 -1.069 0.515) 4.469 1.464 ( -2.220 -0.233 -2.605) 3.430 1.528 ( 0.730 -2.043 0.877) 2.340 1.673 ( -2.379 -2.062 -0.206) 3.155 1.719 ( -3.110 -1.301 -2.188) 4.019 1.777 ( -2.957 -0.044 1.053) 3.140 1.808 ( -0.244 -0.772 0.707) 1.075 1.879 ( -0.008 6.879 -1.692) 7.084 2.038 ( -0.108 6.223 6.480) 8.985 2.258 ( 1.781 0.593 -0.219) 1.890 2.320 ( -0.257 0.095 1.199) 1.230 2.382 ( -2.728 1.531 -0.822) 3.234 2.531 ( -0.744 0.499 -0.690) 1.130 2.570 ( 0.281 -4.069 4.072) 5.763 2.630 ( -2.680 4.777 -1.799) 5.765 2.712 ( 6.414 -0.835 -0.335) 6.477 2.843 ( -2.482 3.545 1.505) 4.582 2.893 ( -1.956 0.497 -2.346) 3.094 2.984 ( -4.123 1.489 0.312) 4.395 3.063 ( -1.011 -4.106 -0.670) 4.281 3.118 ( 1.470 -2.336 0.633) 2.831 3.192 ( 0.070 -0.621 1.031) 1.206 3.320 ( -6.109 3.239 -0.897) 6.972 3.374 ( 3.142 -0.331 -1.528) 3.509 3.418 ( -0.069 0.760 -0.007) 0.763 3.442 ( -5.057 -1.575 -2.597) 5.899 3.468 ( -0.851 3.046 2.680) 4.146 3.566 ( -2.467 1.290 -2.676) 3.861 3.668 ( -0.546 0.918 -0.502) 1.180 3.780 ( 2.408 0.296 1.303) 2.754 3.850 ( -1.160 3.078 3.429) 4.751 3.980 ( 1.298 0.335 0.864) 1.595 4.022 ( 3.978 1.624 3.948) 5.835 4.078 ( -3.201 1.272 -3.128) 4.653 4.154 ( 1.506 -0.508 -1.468) 2.164 4.170 ( 0.616 0.382 -2.203) 2.320 4.334 ( 2.853 0.426 -1.035) 3.065 4.459 ( -3.225 -3.109 -1.955) 4.887 4.506 ( 0.996 3.930 -0.780) 4.129 4.626 ( 1.974 -1.873 2.247) 3.529 4.695 ( 2.481 -1.103 -1.009) 2.897 4.818 ( -2.248 -1.702 3.925) 4.833 4.892 ( 0.584 -0.374 2.470) 2.565 4.935 ( -0.444 1.235 -2.522) 2.843 5.120 ( -0.182 3.273 -0.937) 3.409 5.153 ( 5.006 -0.171 -4.761) 6.910 5.217 ( -0.815 3.385 -1.414) 3.757 5.266 ( 0.456 1.346 -0.241) 1.441 5.298 ( -0.336 1.435 0.639) 1.606 5.575 ( -0.256 -1.062 -0.113) 1.098 5.725 ( -1.118 6.064 4.281) 7.506 5.878 ( 1.094 -3.889 -0.262) 4.049 5.899 ( 0.135 -6.582 -1.598) 6.775 6.065 ( -1.011 -0.916 8.343) 8.454 6.168 ( 3.691 -1.290 -4.395) 5.883 6.263 ( -3.250 1.111 -1.597) 3.788 6.416 ( -0.113 4.392 -3.401) 5.556 8.916 ( 0.787 -0.220 -0.177) 0.836 8.948 ( 1.597 -0.321 1.058) 1.943 9.072 ( -1.914 2.497 1.779) 3.615 9.114 ( 1.165 1.533 -1.850) 2.670 9.797 ( -3.832 -4.497 1.027) 5.997 9.935 ( 1.975 -4.031 -0.014) 4.489 9.957 ( 0.784 -0.066 3.727) 3.809 10.003 ( 2.975 2.089 -0.933) 3.753 10.556 ( -4.327 -9.215 0.002) 10.180 10.730 ( 0.940 -3.463 -4.394) 5.673 10.915 ( 2.108 1.360 -2.007) 3.212 10.940 ( 0.116 2.695 2.595) 3.743 20.253 ( -1.522 1.300 0.295) 2.023 20.337 ( 1.163 2.613 -1.049) 3.046 20.438 ( -2.726 0.518 2.337) 3.627 20.548 ( 2.243 0.516 -2.174) 3.166 20.767 ( -2.000 -2.935 -1.346) 3.799 20.940 ( 2.715 -5.979 4.517) 7.970 21.131 ( -5.138 0.837 -3.790) 6.439 21.485 ( 6.041 11.024 2.657) 12.848 22.049 ( -0.635 1.056 0.175) 1.244 22.063 ( -0.063 1.509 -0.727) 1.676 22.422 ( -1.311 -4.697 0.371) 4.890 22.580 ( 4.504 -4.223 -0.241) 6.178 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -10.542 -0.000 1.434) 10.639 0.730 ( -7.417 -0.000 3.891) 8.376 0.873 ( -1.878 -0.000 0.124) 1.882 0.913 ( 3.620 0.000 -0.619) 3.672 0.977 ( -1.169 -0.000 2.571) 2.824 1.052 ( -1.163 -0.000 -3.959) 4.126 1.301 ( 0.055 0.000 -3.002) 3.002 1.311 ( -3.050 -0.000 1.809) 3.546 1.384 ( -12.722 -0.000 -1.496) 12.810 1.431 ( 6.088 0.000 3.830) 7.193 1.457 ( 4.725 0.000 -0.016) 4.726 1.499 ( -2.454 -0.000 0.270) 2.469 1.598 ( 0.613 0.000 0.604) 0.861 1.656 ( 3.020 0.000 -3.222) 4.416 1.683 ( -2.663 -0.000 2.748) 3.827 1.865 ( 4.791 0.000 0.065) 4.791 2.187 ( -6.585 -0.000 -3.126) 7.289 2.206 ( -4.379 -0.000 -3.730) 5.752 2.294 ( -2.272 -0.000 2.439) 3.333 2.318 ( -0.252 -0.000 0.188) 0.314 2.363 ( 4.639 0.000 4.819) 6.689 2.426 ( 5.242 0.000 2.867) 5.975 2.560 ( -1.302 -0.000 1.971) 2.362 2.614 ( 1.632 0.000 -4.034) 4.352 2.821 ( -5.435 -0.000 3.194) 6.304 2.881 ( -3.063 -0.000 -9.694) 10.166 2.926 ( -2.133 -0.000 -4.788) 5.242 2.977 ( 2.299 0.000 6.910) 7.282 3.082 ( -1.493 -0.000 2.987) 3.340 3.117 ( -2.589 -0.000 -1.684) 3.089 3.222 ( -7.396 -0.000 -2.596) 7.838 3.344 ( -0.629 -0.000 -5.914) 5.948 3.351 ( 1.511 0.000 5.836) 6.028 3.480 ( 4.637 0.000 -2.347) 5.197 3.501 ( -6.042 -0.000 -2.029) 6.374 3.573 ( -0.580 -0.000 -6.107) 6.134 3.647 ( -4.362 -0.000 -2.279) 4.922 3.691 ( 1.690 0.000 4.708) 5.002 3.784 ( 0.794 0.000 0.765) 1.102 3.815 ( -5.167 -0.000 6.668) 8.436 4.009 ( 7.510 0.000 4.803) 8.915 4.025 ( -0.809 -0.000 -5.061) 5.126 4.123 ( -0.441 -0.000 1.482) 1.547 4.201 ( 0.874 0.000 0.681) 1.108 4.289 ( 0.933 0.000 6.291) 6.359 4.391 ( 5.115 0.000 -6.025) 7.903 4.444 ( -3.873 -0.000 -2.934) 4.859 4.489 ( -1.160 -0.000 -2.298) 2.575 4.672 ( -2.616 -0.000 -1.399) 2.966 4.714 ( -0.415 -0.000 10.781) 10.789 4.809 ( -3.470 -0.000 6.097) 7.015 4.890 ( 2.740 0.000 -5.899) 6.505 4.966 ( 2.733 0.000 -1.939) 3.351 5.088 ( 8.325 0.000 -0.466) 8.338 5.205 ( 0.868 0.000 2.181) 2.347 5.221 ( 2.242 0.000 -5.494) 5.934 5.339 ( -0.681 -0.000 1.718) 1.848 5.383 ( 1.868 0.000 -3.938) 4.359 5.602 ( 1.597 0.000 1.735) 2.358 5.607 ( 1.636 0.000 -0.714) 1.785 5.828 ( -0.781 -0.000 2.840) 2.946 5.862 ( 0.440 0.000 -4.814) 4.834 6.010 ( -4.605 -0.000 -2.555) 5.267 6.093 ( 0.109 0.000 2.211) 2.214 6.525 ( -3.727 -0.000 -2.150) 4.303 6.600 ( 1.192 0.000 2.293) 2.585 8.924 ( 1.583 0.000 1.155) 1.960 8.937 ( 2.010 0.000 0.096) 2.012 9.208 ( -1.266 -0.000 2.066) 2.423 9.229 ( -0.482 -0.000 -1.398) 1.479 9.665 ( -3.348 -0.000 0.222) 3.355 9.755 ( 1.867 0.000 0.113) 1.870 9.814 ( 0.139 0.000 4.285) 4.287 9.841 ( 1.434 0.000 -2.743) 3.095 10.309 ( -1.795 -0.000 4.069) 4.447 10.374 ( 1.177 0.000 -6.970) 7.068 11.005 ( -0.974 -0.000 -5.037) 5.131 11.005 ( -0.673 -0.000 4.559) 4.608 20.320 ( 0.277 0.000 -1.525) 1.550 20.340 ( 1.486 0.000 1.873) 2.391 20.583 ( 0.484 0.000 -10.134) 10.146 20.583 ( 2.335 0.000 16.057) 16.226 20.809 ( -1.654 -0.000 -15.504) 15.592 20.814 ( 0.406 0.000 8.740) 8.749 21.332 ( -10.364 -0.000 -6.187) 12.070 21.743 ( 13.965 0.000 5.928) 15.171 22.129 ( -1.354 -0.000 2.809) 3.118 22.150 ( 0.135 0.000 0.131) 0.188 22.150 ( 0.259 0.000 0.151) 0.300 22.165 ( 0.492 0.000 -2.795) 2.838 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -9.113 -3.173 3.280) 10.192 0.716 ( -7.116 -2.909 1.582) 7.849 0.844 ( -4.749 -0.426 0.118) 4.770 0.978 ( 1.218 -4.524 1.796) 5.017 1.002 ( -1.456 -2.997 0.284) 3.344 1.030 ( -0.977 -0.962 -2.612) 2.950 1.264 ( -5.851 1.811 -3.603) 7.106 1.300 ( -1.113 -0.664 1.824) 2.238 1.327 ( -4.003 -3.075 0.688) 5.094 1.422 ( 3.044 3.881 1.952) 5.304 1.477 ( -0.633 0.450 -0.272) 0.823 1.512 ( 2.616 0.948 0.027) 2.783 1.614 ( 2.098 -0.148 2.587) 3.334 1.656 ( 0.812 0.153 -3.850) 3.938 1.702 ( -1.601 -3.050 1.508) 3.760 1.910 ( 0.649 0.708 3.921) 4.037 2.099 ( -3.109 1.360 -2.338) 4.121 2.155 ( -3.275 1.360 -4.863) 6.018 2.258 ( -1.279 2.695 -0.430) 3.014 2.294 ( -2.289 -0.005 2.753) 3.580 2.407 ( 0.653 -0.599 2.829) 2.964 2.501 ( 4.412 0.018 5.337) 6.925 2.561 ( 2.267 0.015 -2.106) 3.095 2.656 ( 0.807 -3.091 0.135) 3.197 2.789 ( -4.512 -0.399 -2.801) 5.326 2.858 ( -3.532 -2.554 -1.968) 4.782 2.882 ( -3.149 -0.575 -4.153) 5.243 2.977 ( -2.967 3.627 -2.426) 5.277 3.031 ( 0.733 0.354 3.404) 3.500 3.122 ( 0.936 1.583 0.766) 1.992 3.151 ( -6.322 -0.349 -0.371) 6.343 3.293 ( -4.323 -0.599 -3.592) 5.653 3.361 ( -4.118 2.280 -3.026) 5.596 3.432 ( -2.112 -0.756 0.126) 2.246 3.494 ( 2.520 0.160 -2.674) 3.678 3.568 ( 0.187 -0.408 -0.852) 0.963 3.613 ( -2.127 1.271 0.857) 2.622 3.689 ( 0.358 2.199 -0.217) 2.239 3.801 ( -0.255 -0.430 -1.277) 1.371 3.832 ( -4.319 -4.235 2.844) 6.684 3.961 ( -3.193 2.452 -2.276) 4.624 4.100 ( 8.514 0.565 4.546) 9.668 4.117 ( -0.245 1.374 1.148) 1.807 4.188 ( 0.191 2.703 3.974) 4.810 4.302 ( 2.487 1.314 0.772) 2.916 4.358 ( 1.237 3.389 -2.196) 4.224 4.425 ( -1.278 -1.260 -5.862) 6.131 4.499 ( -0.323 -1.760 0.744) 1.938 4.661 ( -0.157 0.558 3.505) 3.553 4.718 ( -0.799 3.218 4.933) 5.943 4.790 ( -3.912 0.212 2.924) 4.889 4.900 ( 2.538 -0.611 -1.494) 3.008 4.961 ( 3.127 2.174 -2.220) 4.408 5.153 ( 8.735 0.109 -1.708) 8.901 5.203 ( 2.556 1.359 -3.735) 4.726 5.220 ( 0.711 -0.277 1.708) 1.870 5.337 ( -0.628 -0.124 2.447) 2.529 5.437 ( 2.759 0.024 -3.688) 4.605 5.576 ( -0.699 -1.715 -0.609) 1.950 5.665 ( -2.198 1.417 0.823) 2.742 5.744 ( 0.244 0.413 -0.297) 0.564 5.909 ( 3.243 -1.835 -1.288) 3.943 6.000 ( -4.465 -3.779 -1.535) 6.047 6.105 ( 0.242 -0.762 0.755) 1.099 6.392 ( -5.076 7.964 -2.593) 9.793 6.585 ( 0.409 3.632 0.788) 3.739 8.940 ( 2.449 1.425 0.186) 2.840 8.948 ( 2.723 0.173 1.189) 2.976 9.174 ( -2.015 2.976 1.518) 3.902 9.203 ( -0.151 2.234 -0.587) 2.315 9.650 ( -3.211 -2.248 0.523) 3.954 9.777 ( 1.513 -2.503 -1.468) 3.272 9.882 ( -0.676 -5.385 5.586) 7.788 9.953 ( 5.115 -6.466 -1.470) 8.374 10.317 ( -2.668 -1.970 0.849) 3.423 10.430 ( 0.838 -9.000 -5.728) 10.701 10.968 ( -0.507 0.968 -4.362) 4.497 11.010 ( -1.140 0.819 4.069) 4.304 20.311 ( -0.016 0.720 -2.578) 2.677 20.366 ( 1.191 -0.704 0.848) 1.622 20.511 ( -1.215 3.879 -4.786) 6.279 20.655 ( 1.820 5.781 7.282) 9.474 20.687 ( -1.816 -1.882 -7.597) 8.035 20.852 ( 1.835 0.796 8.099) 8.342 21.218 ( -7.500 2.394 -3.143) 8.477 21.823 ( 11.534 6.302 5.391) 14.206 22.109 ( -1.454 2.073 0.680) 2.622 22.121 ( -0.618 1.336 -0.318) 1.506 22.212 ( 0.833 -5.843 -0.933) 5.975 22.289 ( 3.808 -10.952 0.423) 11.603 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -5.752 -6.774 5.249) 10.321 0.733 ( -6.432 -5.829 -0.717) 8.710 0.835 ( -5.727 -3.491 -0.704) 6.744 1.004 ( -0.595 0.012 0.111) 0.605 1.034 ( 1.158 -1.883 -2.230) 3.140 1.092 ( -1.491 -2.719 -2.798) 4.177 1.226 ( 0.240 -3.721 0.468) 3.758 1.322 ( -1.574 -0.977 2.255) 2.918 1.365 ( -2.540 -4.188 0.363) 4.911 1.392 ( 1.315 1.829 0.426) 2.293 1.455 ( 1.274 1.579 -0.918) 2.226 1.523 ( 2.136 -1.206 1.652) 2.958 1.624 ( -3.404 -0.934 -2.970) 4.613 1.655 ( 1.960 -0.310 2.507) 3.197 1.746 ( -1.014 -1.561 1.036) 2.130 1.858 ( -2.766 4.036 2.522) 5.505 1.997 ( -1.611 7.104 -1.422) 7.422 2.125 ( -3.558 1.484 3.060) 4.922 2.244 ( 3.620 -2.134 -5.270) 6.740 2.293 ( -3.984 -0.991 2.557) 4.837 2.431 ( -0.201 1.035 4.113) 4.246 2.516 ( 0.644 0.443 -2.177) 2.313 2.566 ( 2.098 0.983 3.532) 4.224 2.677 ( -3.468 2.168 -2.341) 4.712 2.717 ( 0.189 0.463 -0.421) 0.654 2.815 ( -4.015 0.322 -2.444) 4.712 2.904 ( -1.197 -0.577 -0.671) 1.489 2.951 ( -0.392 -3.511 -4.000) 5.337 3.012 ( -1.093 1.952 -0.326) 2.261 3.113 ( 3.984 0.192 -0.879) 4.084 3.151 ( -4.501 -3.271 3.334) 6.487 3.267 ( -7.923 -1.624 1.527) 8.231 3.305 ( -2.681 -3.460 -6.826) 8.108 3.434 ( 1.375 0.679 0.267) 1.556 3.469 ( 1.477 3.779 -0.345) 4.072 3.544 ( -2.296 4.399 3.412) 6.022 3.569 ( 0.347 1.154 -0.240) 1.228 3.667 ( -0.451 0.165 -2.339) 2.388 3.775 ( -2.022 -0.481 -3.926) 4.443 3.886 ( 0.047 -2.264 -0.479) 2.315 3.907 ( -4.142 -0.495 0.197) 4.176 4.071 ( -3.047 2.564 0.351) 3.997 4.127 ( 1.333 2.424 2.454) 3.698 4.183 ( 3.543 1.328 0.163) 3.788 4.287 ( 7.252 5.805 3.040) 9.774 4.328 ( -1.241 -0.921 -1.365) 2.061 4.400 ( -1.031 0.112 -3.393) 3.548 4.543 ( 1.744 -2.012 2.245) 3.483 4.642 ( 0.088 3.337 2.594) 4.228 4.697 ( 0.113 0.495 0.725) 0.885 4.771 ( -3.323 -1.781 -0.167) 3.774 4.930 ( 3.197 1.130 4.535) 5.663 4.948 ( 0.944 0.175 -1.120) 1.475 5.174 ( 2.897 2.659 -4.612) 6.061 5.194 ( 5.358 1.817 -2.080) 6.028 5.245 ( 1.705 -0.910 -0.081) 1.934 5.330 ( -1.754 5.781 1.592) 6.247 5.335 ( -0.870 3.838 1.079) 4.080 5.568 ( 0.332 1.448 -2.730) 3.108 5.689 ( -1.932 -7.378 -1.030) 7.696 5.827 ( 0.986 -4.167 2.057) 4.751 5.911 ( 2.265 3.613 2.754) 5.076 6.045 ( -4.835 -5.293 1.063) 7.248 6.114 ( -0.000 0.057 -2.225) 2.226 6.266 ( 1.356 1.329 -2.890) 3.458 6.493 ( -1.397 6.068 -1.349) 6.372 8.934 ( 2.140 1.137 -0.083) 2.425 8.975 ( 3.016 0.408 1.119) 3.243 9.107 ( -2.772 2.974 1.103) 4.213 9.151 ( 0.136 2.894 -0.931) 3.043 9.691 ( -3.111 -4.579 1.117) 5.647 9.853 ( 1.404 -5.127 -1.840) 5.625 9.984 ( -0.234 -2.716 6.492) 7.041 10.052 ( 6.253 0.072 -1.265) 6.380 10.368 ( -3.432 -7.431 -0.682) 8.213 10.595 ( 1.012 -10.363 -5.887) 11.961 10.934 ( 1.351 0.989 -3.411) 3.800 10.994 ( -1.306 1.864 3.443) 4.127 20.262 ( -2.328 1.779 -1.508) 3.295 20.373 ( -0.169 0.972 -0.448) 1.083 20.435 ( -2.115 1.291 -0.065) 2.478 20.565 ( -0.229 0.837 -8.295) 8.341 20.742 ( 2.623 0.103 7.823) 8.252 20.915 ( 3.572 -1.600 9.131) 9.935 21.109 ( -4.866 2.625 -2.783) 6.190 21.758 ( 6.797 12.266 2.808) 14.301 22.064 ( -1.509 1.571 0.334) 2.204 22.086 ( -0.418 1.690 -1.005) 2.010 22.327 ( 1.022 -6.195 0.435) 6.294 22.514 ( 5.873 -8.564 -1.037) 10.435 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -9.322 -0.000 4.912) 10.537 0.631 ( -10.303 -0.000 4.498) 11.242 0.813 ( -6.389 -0.000 3.565) 7.316 0.848 ( -11.818 -0.000 2.053) 11.995 0.985 ( -2.325 -0.000 -3.979) 4.609 0.999 ( 1.651 0.000 -0.032) 1.651 1.218 ( -4.945 -0.000 1.532) 5.177 1.304 ( -0.705 -0.000 2.706) 2.796 1.316 ( 4.610 0.000 -2.373) 5.185 1.461 ( -2.484 -0.000 0.467) 2.527 1.495 ( -0.341 -0.000 -1.444) 1.483 1.549 ( 4.748 0.000 1.734) 5.055 1.640 ( 0.942 0.000 -6.983) 7.046 1.655 ( 4.299 0.000 2.891) 5.180 1.674 ( -1.354 -0.000 3.377) 3.638 1.928 ( 0.489 0.000 2.213) 2.267 2.061 ( -5.657 -0.000 -0.886) 5.726 2.103 ( -2.979 -0.000 -4.821) 5.668 2.278 ( -3.098 -0.000 -1.303) 3.361 2.279 ( -3.051 -0.000 1.573) 3.433 2.422 ( -0.136 -0.000 -1.672) 1.678 2.534 ( 3.365 0.000 3.930) 5.174 2.608 ( 0.907 0.000 -3.118) 3.247 2.608 ( 3.153 0.000 8.452) 9.021 2.762 ( -1.233 -0.000 -7.991) 8.086 2.775 ( -2.394 -0.000 2.211) 3.258 2.821 ( -4.499 -0.000 -4.524) 6.380 2.996 ( -3.188 -0.000 0.422) 3.215 3.072 ( -2.024 -0.000 1.341) 2.428 3.077 ( -4.740 -0.000 5.716) 7.426 3.121 ( -1.723 -0.000 -1.533) 2.307 3.280 ( 0.116 0.000 -6.512) 6.513 3.329 ( -9.384 -0.000 -3.390) 9.977 3.420 ( 2.882 0.000 1.613) 3.303 3.427 ( -4.084 -0.000 -5.655) 6.976 3.569 ( 2.852 0.000 -0.886) 2.987 3.638 ( 0.833 0.000 1.672) 1.868 3.730 ( -6.069 -0.000 -1.739) 6.313 3.742 ( -0.329 -0.000 1.170) 1.216 3.791 ( -0.546 -0.000 0.058) 0.549 3.933 ( -4.415 -0.000 -4.269) 6.142 4.135 ( -0.189 -0.000 1.516) 1.528 4.165 ( 3.270 0.000 -0.883) 3.387 4.214 ( -0.507 -0.000 -0.614) 0.796 4.344 ( -3.125 -0.000 5.658) 6.464 4.359 ( 1.333 0.000 -9.974) 10.063 4.424 ( 4.232 0.000 7.179) 8.334 4.505 ( 3.748 0.000 0.404) 3.770 4.680 ( 0.272 0.000 5.068) 5.075 4.726 ( -8.862 -0.000 0.075) 8.862 4.808 ( 0.188 0.000 9.413) 9.414 4.879 ( 3.242 0.000 -7.371) 8.053 5.048 ( 6.523 0.000 1.478) 6.688 5.217 ( 2.361 0.000 -1.747) 2.937 5.222 ( 8.779 0.000 -3.763) 9.552 5.238 ( 1.065 0.000 3.199) 3.371 5.351 ( 0.659 0.000 1.414) 1.561 5.377 ( 0.912 0.000 -3.450) 3.569 5.642 ( 1.558 0.000 0.486) 1.632 5.642 ( 2.580 0.000 -0.248) 2.592 5.812 ( -0.274 -0.000 -5.994) 6.000 5.824 ( -1.792 -0.000 0.426) 1.842 5.892 ( -5.974 -0.000 -2.848) 6.618 6.101 ( -1.793 -0.000 2.859) 3.375 6.438 ( -4.196 -0.000 -1.649) 4.508 6.613 ( -0.520 -0.000 -0.643) 0.827 8.982 ( 3.957 0.000 1.479) 4.225 8.984 ( 3.399 0.000 0.026) 3.399 9.193 ( -2.354 -0.000 -1.533) 2.810 9.223 ( 0.423 0.000 3.569) 3.594 9.617 ( -2.675 -0.000 0.304) 2.692 9.757 ( 0.262 0.000 -2.607) 2.620 9.852 ( 1.929 0.000 -1.469) 2.425 9.881 ( 1.636 0.000 4.894) 5.160 10.290 ( -2.985 -0.000 -7.065) 7.670 10.316 ( -1.795 -0.000 4.092) 4.469 10.955 ( 0.004 0.000 -3.551) 3.551 11.020 ( -1.930 -0.000 3.582) 4.069 20.309 ( 0.801 0.000 -3.297) 3.393 20.372 ( 0.888 0.000 0.835) 1.219 20.519 ( 1.181 0.000 -7.611) 7.702 20.532 ( -10.657 -0.000 -17.897) 20.830 20.888 ( 12.969 0.000 19.633) 23.530 20.889 ( 0.318 0.000 7.207) 7.214 21.215 ( -1.805 -0.000 6.313) 6.566 21.989 ( 8.918 0.000 3.975) 9.764 22.135 ( -0.090 -0.000 2.765) 2.766 22.145 ( 0.230 0.000 -2.593) 2.603 22.156 ( 0.078 0.000 0.716) 0.721 22.159 ( 0.505 0.000 0.207) 0.546 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -5.745 -5.272 6.820) 10.359 0.582 ( -12.882 -4.254 2.667) 13.826 0.724 ( -9.385 -0.284 1.981) 9.596 0.916 ( -4.609 -8.064 3.016) 9.766 0.982 ( -1.412 -4.027 -2.409) 4.900 1.025 ( 2.024 -1.665 -1.410) 2.976 1.187 ( -2.987 0.579 2.705) 4.071 1.313 ( -1.576 -0.158 2.076) 2.611 1.346 ( 4.889 -0.005 -0.727) 4.942 1.427 ( -1.319 1.658 0.227) 2.131 1.486 ( -1.443 -1.422 -1.070) 2.292 1.522 ( 1.598 4.459 -0.682) 4.786 1.612 ( -0.459 0.824 -5.274) 5.358 1.695 ( 2.073 0.681 2.758) 3.517 1.706 ( -0.813 -2.458 1.381) 2.934 1.917 ( -3.058 3.345 3.402) 5.667 2.039 ( -1.810 -2.068 1.029) 2.935 2.073 ( -1.861 0.554 -3.351) 3.873 2.231 ( -0.383 0.201 -2.569) 2.605 2.270 ( -2.077 -0.740 1.419) 2.623 2.419 ( -0.416 -0.889 1.340) 1.661 2.558 ( -0.555 3.388 -2.917) 4.505 2.587 ( -0.657 -2.558 -1.812) 3.203 2.667 ( 1.092 2.687 7.728) 8.254 2.733 ( -2.135 0.190 -2.005) 2.935 2.795 ( -0.313 -0.703 1.744) 1.906 2.826 ( -0.241 -4.819 -4.822) 6.822 2.938 ( 1.303 1.557 -1.156) 2.336 3.053 ( 1.371 1.985 -0.246) 2.425 3.066 ( -6.125 -1.707 4.605) 7.851 3.132 ( -0.957 -1.582 0.702) 1.977 3.184 ( -7.511 1.397 0.315) 7.647 3.242 ( -0.736 1.119 -6.584) 6.719 3.412 ( -0.750 -2.954 -2.069) 3.683 3.503 ( 1.397 -2.133 -1.431) 2.924 3.589 ( 1.113 -0.034 0.298) 1.153 3.619 ( -0.855 3.840 -0.265) 3.943 3.658 ( -1.488 0.595 -2.239) 2.753 3.707 ( -3.053 -0.777 -2.641) 4.111 3.828 ( -0.985 -1.568 -0.572) 1.938 3.877 ( -4.320 -0.434 -2.917) 5.231 4.098 ( -2.600 2.866 0.248) 3.878 4.166 ( -0.184 0.529 -1.162) 1.290 4.223 ( -0.170 -2.017 0.175) 2.031 4.282 ( -0.155 2.621 -3.800) 4.619 4.355 ( -1.825 0.489 -0.344) 1.921 4.500 ( 7.310 3.313 4.926) 9.417 4.520 ( -0.132 -1.614 2.927) 3.345 4.664 ( -7.001 -1.834 -0.596) 7.262 4.716 ( 1.299 -0.120 6.045) 6.184 4.780 ( 3.035 5.148 0.001) 5.976 4.927 ( 1.363 -2.534 -1.626) 3.305 5.046 ( 5.820 5.397 4.677) 9.213 5.209 ( 3.122 1.121 -4.689) 5.743 5.255 ( 1.486 0.790 1.777) 2.447 5.266 ( 5.327 1.669 -0.296) 5.590 5.366 ( 2.320 -0.983 0.850) 2.659 5.428 ( -1.770 2.446 -0.531) 3.065 5.571 ( -1.779 -0.629 1.908) 2.683 5.614 ( 0.749 4.568 -4.076) 6.168 5.777 ( 0.656 -3.603 1.758) 4.062 5.884 ( -3.833 -5.507 -2.311) 7.097 5.928 ( -0.640 -4.141 -2.138) 4.704 6.106 ( -1.491 -1.003 1.067) 2.090 6.331 ( -0.778 5.995 0.450) 6.062 6.565 ( -1.776 4.142 -2.184) 5.008 8.986 ( 2.970 2.168 -0.175) 3.681 9.019 ( 4.466 0.608 0.990) 4.614 9.135 ( -3.190 2.788 -0.112) 4.238 9.208 ( -0.155 3.779 1.237) 3.980 9.613 ( -2.130 -2.383 1.186) 3.409 9.775 ( 0.327 -3.484 -3.166) 4.719 9.906 ( -1.195 -6.601 4.170) 7.898 10.060 ( 7.613 -8.190 -3.244) 11.643 10.265 ( -1.739 -2.174 -1.933) 3.389 10.380 ( -2.154 -8.701 -0.426) 8.974 10.942 ( 1.231 0.357 -2.520) 2.827 11.013 ( -2.275 0.550 2.946) 3.762 20.262 ( -3.409 2.544 -3.925) 5.788 20.370 ( -2.213 -0.234 -2.086) 3.050 20.414 ( -4.476 -1.953 -2.107) 5.318 20.495 ( 0.863 -0.194 -9.531) 9.572 20.870 ( 1.748 4.450 9.095) 10.275 21.052 ( 8.451 0.497 6.564) 10.713 21.169 ( 4.730 11.270 14.189) 18.727 22.002 ( 5.663 7.532 2.299) 9.699 22.082 ( -2.900 2.999 0.604) 4.215 22.101 ( -0.617 1.230 -1.380) 1.949 22.246 ( 2.887 -5.456 1.444) 6.339 22.361 ( 5.417 -14.215 -1.743) 15.312 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -15.382 -0.000 4.920) 16.150 0.426 ( -4.768 -0.000 7.916) 9.241 0.735 ( -7.821 -0.000 4.575) 9.061 0.766 ( -4.662 -0.000 12.031) 12.903 0.912 ( -0.372 -0.000 -6.258) 6.269 1.028 ( 2.632 0.000 -1.076) 2.843 1.185 ( -3.479 -0.000 2.292) 4.166 1.301 ( -3.422 -0.000 1.522) 3.746 1.396 ( 5.927 0.000 -0.350) 5.937 1.428 ( -1.121 -0.000 -0.674) 1.308 1.451 ( -1.697 -0.000 -2.100) 2.700 1.574 ( 0.718 0.000 -8.025) 8.057 1.612 ( 1.784 0.000 -0.804) 1.957 1.639 ( -6.237 -0.000 -0.665) 6.273 1.726 ( 0.094 0.000 3.205) 3.207 1.894 ( -4.643 -0.000 -1.074) 4.766 2.052 ( 1.282 0.000 -2.572) 2.874 2.100 ( 5.565 0.000 8.395) 10.072 2.203 ( -3.595 -0.000 -0.113) 3.597 2.242 ( 0.357 0.000 -0.348) 0.499 2.435 ( 3.933 0.000 0.328) 3.947 2.551 ( -1.438 -0.000 -2.359) 2.763 2.609 ( -1.688 -0.000 3.570) 3.949 2.673 ( -0.217 -0.000 -6.516) 6.520 2.727 ( -0.141 -0.000 0.884) 0.895 2.780 ( -0.215 -0.000 2.279) 2.289 2.784 ( 3.833 0.000 5.487) 6.693 2.949 ( -3.166 -0.000 1.522) 3.513 3.049 ( -1.057 -0.000 -0.147) 1.067 3.064 ( -2.784 -0.000 4.304) 5.126 3.110 ( -0.651 -0.000 3.210) 3.276 3.183 ( -2.843 -0.000 -4.297) 5.152 3.234 ( -0.339 -0.000 -3.602) 3.618 3.336 ( -1.531 -0.000 -3.634) 3.943 3.453 ( -0.084 -0.000 -0.574) 0.580 3.563 ( -7.790 -0.000 -7.685) 10.943 3.598 ( 1.520 0.000 -0.383) 1.568 3.659 ( 0.066 0.000 -1.359) 1.361 3.720 ( -2.064 -0.000 -3.142) 3.759 3.774 ( -3.316 -0.000 -0.877) 3.430 3.846 ( 0.993 0.000 0.170) 1.008 4.095 ( -5.582 -0.000 -1.724) 5.842 4.149 ( 0.016 0.000 2.252) 2.252 4.192 ( 0.284 0.000 -0.860) 0.906 4.317 ( 3.077 0.000 -7.893) 8.471 4.343 ( -3.717 -0.000 7.557) 8.421 4.474 ( -11.373 -0.000 -2.384) 11.620 4.549 ( 1.897 0.000 -2.053) 2.795 4.652 ( 3.990 0.000 8.440) 9.336 4.751 ( 1.582 0.000 6.699) 6.883 4.871 ( 3.545 0.000 -6.373) 7.293 4.910 ( 2.957 0.000 3.820) 4.831 5.182 ( 6.475 0.000 2.631) 6.989 5.230 ( 2.582 0.000 -3.465) 4.321 5.310 ( 2.291 0.000 1.725) 2.868 5.313 ( 2.333 0.000 1.677) 2.873 5.348 ( -0.407 -0.000 1.798) 1.843 5.402 ( 5.793 0.000 -1.810) 6.070 5.645 ( -0.661 -0.000 -1.654) 1.781 5.646 ( -1.425 -0.000 -2.440) 2.825 5.747 ( -6.087 -0.000 0.821) 6.142 5.767 ( 1.089 0.000 -4.741) 4.864 5.857 ( 1.506 0.000 3.643) 3.942 6.080 ( -3.828 -0.000 2.274) 4.452 6.389 ( -1.095 -0.000 1.497) 1.854 6.575 ( -1.836 -0.000 -3.319) 3.792 9.030 ( 2.333 0.000 -0.921) 2.508 9.064 ( 3.735 0.000 -0.152) 3.738 9.142 ( -1.653 -0.000 0.595) 1.757 9.272 ( 1.267 0.000 0.883) 1.544 9.587 ( -1.504 -0.000 0.727) 1.671 9.708 ( -2.853 -0.000 -4.972) 5.732 9.873 ( 1.831 0.000 -0.906) 2.043 9.890 ( -3.052 -0.000 0.520) 3.096 10.266 ( 5.183 0.000 1.610) 5.428 10.320 ( -2.470 -0.000 4.227) 4.895 10.949 ( 2.129 0.000 -1.464) 2.583 11.008 ( -2.791 -0.000 2.465) 3.723 20.232 ( -10.649 -0.000 -3.373) 11.171 20.283 ( 0.741 0.000 -5.145) 5.198 20.393 ( 0.037 0.000 1.412) 1.413 20.481 ( 1.158 0.000 -5.372) 5.495 20.954 ( 0.317 0.000 6.033) 6.041 21.080 ( 1.785 0.000 -1.126) 2.110 21.618 ( 29.222 0.000 18.597) 34.638 22.058 ( -1.125 -0.000 1.224) 1.662 22.130 ( 0.459 0.000 -1.429) 1.501 22.162 ( 0.020 0.000 0.622) 0.622 22.170 ( 0.584 0.000 0.100) 0.592 22.202 ( 2.196 0.000 3.054) 3.762 =================== 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 3/28800 10.0 26.776 21.544 14.353 0.000 3.296 -0.000 3/28800 20.0 6.824 5.947 3.938 0.000 0.872 -0.000 3/28800 30.0 3.403 3.008 2.018 0.000 0.447 -0.000 3/28800 40.0 2.164 1.920 1.312 0.000 0.284 -0.000 3/28800 50.0 1.568 1.391 0.969 0.000 0.203 -0.000 3/28800 60.0 1.228 1.090 0.773 0.000 0.156 -0.000 3/28800 70.0 1.012 0.899 0.646 0.000 0.126 -0.000 3/28800 80.0 0.863 0.769 0.558 0.000 0.105 -0.000 3/28800 90.0 0.754 0.675 0.493 0.000 0.090 -0.000 3/28800 100.0 0.671 0.604 0.444 0.000 0.079 -0.000 3/28800 110.0 0.605 0.548 0.404 0.000 0.070 -0.000 3/28800 120.0 0.552 0.503 0.372 0.000 0.063 -0.000 3/28800 130.0 0.508 0.466 0.345 0.000 0.057 -0.000 3/28800 140.0 0.471 0.436 0.323 0.000 0.052 -0.000 3/28800 150.0 0.440 0.409 0.304 0.000 0.049 -0.000 3/28800 160.0 0.413 0.386 0.288 0.000 0.045 -0.000 3/28800 170.0 0.389 0.367 0.273 0.000 0.043 -0.000 3/28800 180.0 0.368 0.349 0.261 0.000 0.040 -0.000 3/28800 190.0 0.350 0.333 0.249 0.000 0.038 -0.000 3/28800 200.0 0.333 0.319 0.239 0.000 0.037 -0.000 3/28800 210.0 0.318 0.307 0.230 0.000 0.035 -0.000 3/28800 220.0 0.304 0.295 0.222 0.000 0.034 -0.000 3/28800 230.0 0.292 0.285 0.215 0.000 0.033 -0.000 3/28800 240.0 0.281 0.275 0.208 0.000 0.032 -0.000 3/28800 250.0 0.270 0.266 0.201 0.000 0.031 -0.000 3/28800 260.0 0.261 0.258 0.195 0.000 0.030 -0.000 3/28800 270.0 0.252 0.250 0.189 0.000 0.029 -0.000 3/28800 280.0 0.244 0.243 0.184 0.000 0.028 -0.000 3/28800 290.0 0.236 0.236 0.179 0.000 0.028 -0.000 3/28800 300.0 0.229 0.229 0.175 0.000 0.027 -0.000 3/28800 310.0 0.222 0.223 0.170 0.000 0.026 -0.000 3/28800 320.0 0.215 0.217 0.166 0.000 0.026 -0.000 3/28800 330.0 0.209 0.212 0.162 0.000 0.025 -0.000 3/28800 340.0 0.204 0.207 0.158 0.000 0.025 -0.000 3/28800 350.0 0.198 0.202 0.154 0.000 0.024 -0.000 3/28800 360.0 0.193 0.197 0.151 0.000 0.024 -0.000 3/28800 370.0 0.188 0.193 0.148 0.000 0.023 -0.000 3/28800 380.0 0.184 0.188 0.144 0.000 0.023 -0.000 3/28800 390.0 0.179 0.184 0.141 0.000 0.022 -0.000 3/28800 400.0 0.175 0.180 0.139 0.000 0.022 -0.000 3/28800 410.0 0.171 0.177 0.136 0.000 0.022 -0.000 3/28800 420.0 0.167 0.173 0.133 0.000 0.021 -0.000 3/28800 430.0 0.164 0.170 0.130 0.000 0.021 -0.000 3/28800 440.0 0.160 0.166 0.128 0.000 0.021 -0.000 3/28800 450.0 0.157 0.163 0.126 0.000 0.020 -0.000 3/28800 460.0 0.154 0.160 0.123 0.000 0.020 -0.000 3/28800 470.0 0.151 0.157 0.121 0.000 0.019 -0.000 3/28800 480.0 0.148 0.154 0.119 0.000 0.019 -0.000 3/28800 490.0 0.145 0.151 0.117 0.000 0.019 -0.000 3/28800 500.0 0.142 0.149 0.115 0.000 0.019 -0.000 3/28800 510.0 0.140 0.146 0.113 0.000 0.018 -0.000 3/28800 520.0 0.137 0.143 0.111 0.000 0.018 -0.000 3/28800 530.0 0.135 0.141 0.109 0.000 0.018 -0.000 3/28800 540.0 0.132 0.139 0.107 0.000 0.017 -0.000 3/28800 550.0 0.130 0.136 0.105 0.000 0.017 -0.000 3/28800 560.0 0.128 0.134 0.104 0.000 0.017 -0.000 3/28800 570.0 0.126 0.132 0.102 0.000 0.017 -0.000 3/28800 580.0 0.123 0.130 0.101 0.000 0.016 -0.000 3/28800 590.0 0.121 0.128 0.099 0.000 0.016 -0.000 3/28800 600.0 0.120 0.126 0.098 0.000 0.016 -0.000 3/28800 610.0 0.118 0.124 0.096 0.000 0.016 -0.000 3/28800 620.0 0.116 0.122 0.095 0.000 0.016 -0.000 3/28800 630.0 0.114 0.121 0.093 0.000 0.015 -0.000 3/28800 640.0 0.112 0.119 0.092 0.000 0.015 -0.000 3/28800 650.0 0.111 0.117 0.091 0.000 0.015 -0.000 3/28800 660.0 0.109 0.116 0.090 0.000 0.015 -0.000 3/28800 670.0 0.108 0.114 0.088 0.000 0.015 -0.000 3/28800 680.0 0.106 0.112 0.087 0.000 0.014 -0.000 3/28800 690.0 0.105 0.111 0.086 0.000 0.014 -0.000 3/28800 700.0 0.103 0.109 0.085 0.000 0.014 -0.000 3/28800 710.0 0.102 0.108 0.084 0.000 0.014 -0.000 3/28800 720.0 0.100 0.107 0.083 0.000 0.014 -0.000 3/28800 730.0 0.099 0.105 0.082 0.000 0.013 -0.000 3/28800 740.0 0.098 0.104 0.081 0.000 0.013 -0.000 3/28800 750.0 0.096 0.103 0.080 0.000 0.013 -0.000 3/28800 760.0 0.095 0.101 0.079 0.000 0.013 -0.000 3/28800 770.0 0.094 0.100 0.078 0.000 0.013 -0.000 3/28800 780.0 0.093 0.099 0.077 0.000 0.013 -0.000 3/28800 790.0 0.092 0.098 0.076 0.000 0.013 -0.000 3/28800 800.0 0.091 0.096 0.075 0.000 0.012 -0.000 3/28800 810.0 0.090 0.095 0.074 0.000 0.012 -0.000 3/28800 820.0 0.088 0.094 0.073 0.000 0.012 -0.000 3/28800 830.0 0.087 0.093 0.072 0.000 0.012 -0.000 3/28800 840.0 0.086 0.092 0.072 0.000 0.012 -0.000 3/28800 850.0 0.085 0.091 0.071 0.000 0.012 -0.000 3/28800 860.0 0.084 0.090 0.070 0.000 0.012 -0.000 3/28800 870.0 0.083 0.089 0.069 0.000 0.012 -0.000 3/28800 880.0 0.083 0.088 0.069 0.000 0.011 -0.000 3/28800 890.0 0.082 0.087 0.068 0.000 0.011 -0.000 3/28800 900.0 0.081 0.086 0.067 0.000 0.011 -0.000 3/28800 910.0 0.080 0.085 0.066 0.000 0.011 -0.000 3/28800 920.0 0.079 0.084 0.066 0.000 0.011 -0.000 3/28800 930.0 0.078 0.084 0.065 0.000 0.011 -0.000 3/28800 940.0 0.077 0.083 0.064 0.000 0.011 -0.000 3/28800 950.0 0.077 0.082 0.064 0.000 0.011 -0.000 3/28800 960.0 0.076 0.081 0.063 0.000 0.011 -0.000 3/28800 970.0 0.075 0.080 0.062 0.000 0.010 -0.000 3/28800 980.0 0.074 0.080 0.062 0.000 0.010 -0.000 3/28800 990.0 0.074 0.079 0.061 0.000 0.010 -0.000 3/28800 1000.0 0.073 0.078 0.061 0.000 0.010 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:42:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|