----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:49:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.549796494807087 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741213769999999 0.000000000000000 c -5.529558615961673 0.000000000000000 17.056822260525813 Atomic positions (fractional): *1 Rb 0.72810653004908 0.25219093323306 0.46685126258176 85.468 2 Rb 0.27189346995092 0.75219093323306 0.03314873741824 85.468 3 Rb 0.27189346995092 0.74780906676694 0.53314873741824 85.468 4 Rb 0.72810653004908 0.24780906676694 0.96685126258176 85.468 *5 Ge 0.78808145573555 0.76814823690085 0.33804225952774 72.640 6 Ge 0.21191854426445 0.26814823690085 0.16195774047226 72.640 7 Ge 0.21191854426445 0.23185176309915 0.66195774047226 72.640 8 Ge 0.78808145573555 0.73185176309915 0.83804225952774 72.640 *9 Bi 0.76462750665260 0.21722499881558 0.22248548266861 208.980 10 Bi 0.76462750665260 0.28277500118442 0.72248548266861 208.980 11 Bi 0.23537249334740 0.71722499881558 0.27751451733139 208.980 12 Bi 0.23537249334740 0.78277500118442 0.77751451733139 208.980 *13 S 0.02804163565668 0.49055288362634 0.86138589642550 32.065 *14 S 0.41779202140491 0.25767005534855 0.08553540863930 32.065 *15 S 0.99243984584044 0.99997717531736 0.85202517784048 32.065 16 S 0.99243984584044 0.50002282468264 0.35202517784048 32.065 17 S 0.00756015415956 0.00002282468264 0.14797482215952 32.065 *18 S 0.57782656108743 0.66874763386472 0.71645847979608 32.065 19 S 0.58220797859509 0.74232994465145 0.91446459136070 32.065 20 S 0.02804163565668 0.00944711637366 0.36138589642550 32.065 21 S 0.58220797859509 0.75767005534855 0.41446459136070 32.065 22 S 0.97195836434332 0.99055288362634 0.63861410357450 32.065 23 S 0.41779202140491 0.24232994465145 0.58553540863930 32.065 24 S 0.42217343891257 0.33125236613528 0.28354152020392 32.065 25 S 0.00756015415956 0.49997717531736 0.64797482215952 32.065 26 S 0.42217343891257 0.16874763386472 0.78354152020392 32.065 27 S 0.57782656108743 0.83125236613528 0.21645847979608 32.065 28 S 0.97195836434332 0.50944711637366 0.13861410357450 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.549796494807087 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741213769999999 0.000000000000000 c -5.529558615961673 0.000000000000000 17.056822260525813 Atomic positions (fractional): *1 Rb 0.72810653004908 0.25219093323306 0.46685126258176 85.468 > 1 2 Rb 0.27189346995092 0.75219093323306 0.03314873741824 85.468 > 2 3 Rb 0.27189346995092 0.74780906676694 0.53314873741824 85.468 > 3 4 Rb 0.72810653004908 0.24780906676694 0.96685126258176 85.468 > 4 *5 Ge 0.78808145573555 0.76814823690085 0.33804225952774 72.640 > 5 6 Ge 0.21191854426445 0.26814823690085 0.16195774047226 72.640 > 6 7 Ge 0.21191854426445 0.23185176309915 0.66195774047226 72.640 > 7 8 Ge 0.78808145573555 0.73185176309915 0.83804225952774 72.640 > 8 *9 Bi 0.76462750665260 0.21722499881558 0.22248548266861 208.980 > 9 10 Bi 0.76462750665260 0.28277500118442 0.72248548266861 208.980 > 10 11 Bi 0.23537249334740 0.71722499881558 0.27751451733139 208.980 > 11 12 Bi 0.23537249334740 0.78277500118442 0.77751451733139 208.980 > 12 *13 S 0.02804163565668 0.49055288362634 0.86138589642550 32.065 > 13 *14 S 0.41779202140491 0.25767005534855 0.08553540863930 32.065 > 14 *15 S 0.99243984584044 0.99997717531736 0.85202517784048 32.065 > 15 16 S 0.99243984584044 0.50002282468264 0.35202517784048 32.065 > 16 17 S 0.00756015415956 0.00002282468264 0.14797482215952 32.065 > 17 *18 S 0.57782656108743 0.66874763386472 0.71645847979608 32.065 > 18 19 S 0.58220797859509 0.74232994465145 0.91446459136070 32.065 > 19 20 S 0.02804163565668 0.00944711637366 0.36138589642550 32.065 > 20 21 S 0.58220797859509 0.75767005534855 0.41446459136070 32.065 > 21 22 S 0.97195836434332 0.99055288362634 0.63861410357450 32.065 > 22 23 S 0.41779202140491 0.24232994465145 0.58553540863930 32.065 > 23 24 S 0.42217343891257 0.33125236613528 0.28354152020392 32.065 > 24 25 S 0.00756015415956 0.49997717531736 0.64797482215952 32.065 > 25 26 S 0.42217343891257 0.16874763386472 0.78354152020392 32.065 > 26 27 S 0.57782656108743 0.83125236613528 0.21645847979608 32.065 > 27 28 S 0.97195836434332 0.50944711637366 0.13861410357450 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.099592989614173 0.000000000000000 0.000000000000000 b 0.000000000000000 13.482427539999998 0.000000000000000 c -5.529558615961673 0.000000000000000 17.056822260525813 Atomic positions (fractional): *1 Rb 0.36405326502454 0.12609546661653 0.46685126258176 85.468 > 1 2 Rb 0.86405326502454 0.12609546661653 0.46685126258176 85.468 > 1 3 Rb 0.36405326502454 0.62609546661653 0.46685126258176 85.468 > 1 4 Rb 0.86405326502454 0.62609546661653 0.46685126258176 85.468 > 1 5 Rb 0.13594673497546 0.37609546661653 0.03314873741824 85.468 > 2 6 Rb 0.63594673497546 0.37609546661653 0.03314873741824 85.468 > 2 7 Rb 0.13594673497546 0.87609546661653 0.03314873741824 85.468 > 2 8 Rb 0.63594673497546 0.87609546661653 0.03314873741824 85.468 > 2 9 Rb 0.13594673497546 0.37390453338347 0.53314873741824 85.468 > 3 10 Rb 0.63594673497546 0.37390453338347 0.53314873741824 85.468 > 3 11 Rb 0.13594673497546 0.87390453338347 0.53314873741824 85.468 > 3 12 Rb 0.63594673497546 0.87390453338347 0.53314873741824 85.468 > 3 13 Rb 0.36405326502454 0.12390453338347 0.96685126258176 85.468 > 4 14 Rb 0.86405326502454 0.12390453338347 0.96685126258176 85.468 > 4 15 Rb 0.36405326502454 0.62390453338347 0.96685126258176 85.468 > 4 16 Rb 0.86405326502454 0.62390453338347 0.96685126258176 85.468 > 4 *17 Ge 0.39404072786777 0.38407411845043 0.33804225952774 72.640 > 5 18 Ge 0.89404072786777 0.38407411845043 0.33804225952774 72.640 > 5 19 Ge 0.39404072786777 0.88407411845043 0.33804225952774 72.640 > 5 20 Ge 0.89404072786777 0.88407411845043 0.33804225952774 72.640 > 5 21 Ge 0.10595927213223 0.13407411845043 0.16195774047226 72.640 > 6 22 Ge 0.60595927213223 0.13407411845043 0.16195774047226 72.640 > 6 23 Ge 0.10595927213223 0.63407411845043 0.16195774047226 72.640 > 6 24 Ge 0.60595927213223 0.63407411845043 0.16195774047226 72.640 > 6 25 Ge 0.10595927213223 0.11592588154957 0.66195774047226 72.640 > 7 26 Ge 0.60595927213223 0.11592588154957 0.66195774047226 72.640 > 7 27 Ge 0.10595927213223 0.61592588154957 0.66195774047226 72.640 > 7 28 Ge 0.60595927213223 0.61592588154957 0.66195774047226 72.640 > 7 29 Ge 0.39404072786777 0.36592588154957 0.83804225952774 72.640 > 8 30 Ge 0.89404072786777 0.36592588154957 0.83804225952774 72.640 > 8 31 Ge 0.39404072786777 0.86592588154957 0.83804225952774 72.640 > 8 32 Ge 0.89404072786777 0.86592588154957 0.83804225952774 72.640 > 8 *33 Bi 0.38231375332630 0.10861249940779 0.22248548266861 208.980 > 9 34 Bi 0.88231375332630 0.10861249940779 0.22248548266861 208.980 > 9 35 Bi 0.38231375332630 0.60861249940779 0.22248548266861 208.980 > 9 36 Bi 0.88231375332630 0.60861249940779 0.22248548266861 208.980 > 9 37 Bi 0.38231375332630 0.14138750059221 0.72248548266861 208.980 > 10 38 Bi 0.88231375332630 0.14138750059221 0.72248548266861 208.980 > 10 39 Bi 0.38231375332630 0.64138750059221 0.72248548266861 208.980 > 10 40 Bi 0.88231375332630 0.64138750059221 0.72248548266861 208.980 > 10 41 Bi 0.11768624667370 0.35861249940779 0.27751451733139 208.980 > 11 42 Bi 0.61768624667370 0.35861249940779 0.27751451733139 208.980 > 11 43 Bi 0.11768624667370 0.85861249940779 0.27751451733139 208.980 > 11 44 Bi 0.61768624667370 0.85861249940779 0.27751451733139 208.980 > 11 45 Bi 0.11768624667370 0.39138750059221 0.77751451733139 208.980 > 12 46 Bi 0.61768624667370 0.39138750059221 0.77751451733139 208.980 > 12 47 Bi 0.11768624667370 0.89138750059221 0.77751451733139 208.980 > 12 48 Bi 0.61768624667370 0.89138750059221 0.77751451733139 208.980 > 12 *49 S 0.01402081782834 0.24527644181317 0.86138589642550 32.065 > 13 50 S 0.51402081782834 0.24527644181317 0.86138589642550 32.065 > 13 51 S 0.01402081782834 0.74527644181317 0.86138589642550 32.065 > 13 52 S 0.51402081782834 0.74527644181317 0.86138589642550 32.065 > 13 *53 S 0.20889601070245 0.12883502767428 0.08553540863930 32.065 > 14 54 S 0.70889601070245 0.12883502767428 0.08553540863930 32.065 > 14 55 S 0.20889601070245 0.62883502767428 0.08553540863930 32.065 > 14 56 S 0.70889601070245 0.62883502767428 0.08553540863930 32.065 > 14 *57 S 0.49621992292022 0.49998858765868 0.85202517784048 32.065 > 15 58 S 0.99621992292022 0.49998858765868 0.85202517784048 32.065 > 15 59 S 0.49621992292022 0.99998858765868 0.85202517784048 32.065 > 15 60 S 0.99621992292022 0.99998858765868 0.85202517784048 32.065 > 15 61 S 0.49621992292022 0.25001141234132 0.35202517784048 32.065 > 16 62 S 0.99621992292022 0.25001141234132 0.35202517784048 32.065 > 16 63 S 0.49621992292022 0.75001141234132 0.35202517784048 32.065 > 16 64 S 0.99621992292022 0.75001141234132 0.35202517784048 32.065 > 16 65 S 0.00378007707978 0.00001141234132 0.14797482215952 32.065 > 17 66 S 0.50378007707978 0.00001141234132 0.14797482215952 32.065 > 17 67 S 0.00378007707978 0.50001141234132 0.14797482215952 32.065 > 17 68 S 0.50378007707978 0.50001141234132 0.14797482215952 32.065 > 17 *69 S 0.28891328054371 0.33437381693236 0.71645847979608 32.065 > 18 70 S 0.78891328054371 0.33437381693236 0.71645847979608 32.065 > 18 71 S 0.28891328054371 0.83437381693236 0.71645847979608 32.065 > 18 72 S 0.78891328054371 0.83437381693236 0.71645847979608 32.065 > 18 73 S 0.29110398929755 0.37116497232572 0.91446459136070 32.065 > 19 74 S 0.79110398929755 0.37116497232572 0.91446459136070 32.065 > 19 75 S 0.29110398929755 0.87116497232572 0.91446459136070 32.065 > 19 76 S 0.79110398929755 0.87116497232572 0.91446459136070 32.065 > 19 77 S 0.01402081782834 0.00472355818683 0.36138589642550 32.065 > 20 78 S 0.51402081782834 0.00472355818683 0.36138589642550 32.065 > 20 79 S 0.01402081782834 0.50472355818683 0.36138589642550 32.065 > 20 80 S 0.51402081782834 0.50472355818683 0.36138589642550 32.065 > 20 81 S 0.29110398929755 0.37883502767428 0.41446459136070 32.065 > 21 82 S 0.79110398929755 0.37883502767428 0.41446459136070 32.065 > 21 83 S 0.29110398929755 0.87883502767428 0.41446459136070 32.065 > 21 84 S 0.79110398929755 0.87883502767428 0.41446459136070 32.065 > 21 85 S 0.48597918217166 0.49527644181317 0.63861410357450 32.065 > 22 86 S 0.98597918217166 0.49527644181317 0.63861410357450 32.065 > 22 87 S 0.48597918217166 0.99527644181317 0.63861410357450 32.065 > 22 88 S 0.98597918217166 0.99527644181317 0.63861410357450 32.065 > 22 89 S 0.20889601070245 0.12116497232572 0.58553540863930 32.065 > 23 90 S 0.70889601070245 0.12116497232572 0.58553540863930 32.065 > 23 91 S 0.20889601070245 0.62116497232572 0.58553540863930 32.065 > 23 92 S 0.70889601070245 0.62116497232572 0.58553540863930 32.065 > 23 93 S 0.21108671945629 0.16562618306764 0.28354152020392 32.065 > 24 94 S 0.71108671945629 0.16562618306764 0.28354152020392 32.065 > 24 95 S 0.21108671945629 0.66562618306764 0.28354152020392 32.065 > 24 96 S 0.71108671945629 0.66562618306764 0.28354152020392 32.065 > 24 97 S 0.00378007707978 0.24998858765868 0.64797482215952 32.065 > 25 98 S 0.50378007707978 0.24998858765868 0.64797482215952 32.065 > 25 99 S 0.00378007707978 0.74998858765868 0.64797482215952 32.065 > 25 100 S 0.50378007707978 0.74998858765868 0.64797482215952 32.065 > 25 101 S 0.21108671945629 0.08437381693236 0.78354152020392 32.065 > 26 102 S 0.71108671945629 0.08437381693236 0.78354152020392 32.065 > 26 103 S 0.21108671945629 0.58437381693236 0.78354152020392 32.065 > 26 104 S 0.71108671945629 0.58437381693236 0.78354152020392 32.065 > 26 105 S 0.28891328054371 0.41562618306764 0.21645847979608 32.065 > 27 106 S 0.78891328054371 0.41562618306764 0.21645847979608 32.065 > 27 107 S 0.28891328054371 0.91562618306764 0.21645847979608 32.065 > 27 108 S 0.78891328054371 0.91562618306764 0.21645847979608 32.065 > 27 109 S 0.48597918217166 0.25472355818683 0.13861410357450 32.065 > 28 110 S 0.98597918217166 0.25472355818683 0.13861410357450 32.065 > 28 111 S 0.48597918217166 0.75472355818683 0.13861410357450 32.065 > 28 112 S 0.98597918217166 0.75472355818683 0.13861410357450 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4973424 0.0000000 -0.0791320 0.0000000 7.2980158 0.0000000 -0.0791325 0.0000000 4.5212674 -------------------------- Born effective charges -------------------------- 1 Rb 1.2029215 0.0129895 -0.1018287 -0.0117795 1.2797291 -0.0888387 -0.1126316 -0.0381470 1.9604426 2 Rb 1.2029215 -0.0129895 -0.1018287 0.0117795 1.2797291 0.0888387 -0.1126316 0.0381470 1.9604426 3 Rb 1.2029215 0.0129895 -0.1018287 -0.0117795 1.2797291 -0.0888387 -0.1126316 -0.0381470 1.9604426 4 Rb 1.2029215 -0.0129895 -0.1018287 0.0117795 1.2797291 0.0888387 -0.1126316 0.0381470 1.9604426 5 Ge 3.6493585 -0.3807961 0.0663130 -0.1610837 2.3803530 -1.0130498 -0.4182189 -0.0742697 0.9951175 6 Ge 3.6493585 0.3807961 0.0663130 0.1610837 2.3803530 1.0130498 -0.4182189 0.0742697 0.9951175 7 Ge 3.6493585 -0.3807961 0.0663130 -0.1610837 2.3803530 -1.0130498 -0.4182189 -0.0742697 0.9951175 8 Ge 3.6493585 0.3807961 0.0663130 0.1610837 2.3803530 1.0130498 -0.4182189 0.0742697 0.9951175 9 Bi 5.8901787 0.4633528 0.0305803 -0.4566471 5.3059680 0.1669142 0.1770567 -0.2947118 2.4462416 10 Bi 5.8901787 -0.4633528 0.0305803 0.4566471 5.3059680 -0.1669142 0.1770567 0.2947118 2.4462416 11 Bi 5.8901787 -0.4633528 0.0305803 0.4566471 5.3059680 -0.1669142 0.1770567 0.2947118 2.4462416 12 Bi 5.8901787 0.4633528 0.0305803 -0.4566471 5.3059680 0.1669142 0.1770567 -0.2947118 2.4462416 13 S -2.2394295 -0.4487184 -0.1551021 -0.6347639 -2.6477797 -0.3693602 0.0538959 -0.1384763 -1.4430031 14 S -2.7663885 0.0534960 -0.1259764 0.3117446 -1.0036477 0.1357513 -0.0110445 0.0991303 -1.8177682 15 S -2.7222579 0.3927892 0.3838580 0.4093569 -2.8653789 0.2112109 0.2507530 0.0850208 -1.0675996 16 S -2.7222579 -0.3927892 0.3838580 -0.4093569 -2.8653789 -0.2112109 0.2507530 -0.0850208 -1.0675996 17 S -2.7222579 0.3927892 0.3838580 0.4093569 -2.8653789 0.2112109 0.2507530 0.0850208 -1.0675996 18 S -3.0143829 1.1471108 -0.0978442 1.0386348 -2.4492437 -0.7323620 0.0601894 -0.2641798 -1.0734308 19 S -2.7663885 0.0534960 -0.1259764 0.3117446 -1.0036477 0.1357513 -0.0110445 0.0991303 -1.8177682 20 S -2.2394295 0.4487184 -0.1551021 0.6347639 -2.6477797 0.3693602 0.0538959 0.1384763 -1.4430031 21 S -2.7663885 -0.0534960 -0.1259764 -0.3117446 -1.0036477 -0.1357513 -0.0110445 -0.0991303 -1.8177682 22 S -2.2394295 0.4487184 -0.1551021 0.6347639 -2.6477797 0.3693602 0.0538959 0.1384763 -1.4430031 23 S -2.7663885 -0.0534960 -0.1259764 -0.3117446 -1.0036477 -0.1357513 -0.0110445 -0.0991303 -1.8177682 24 S -3.0143829 1.1471108 -0.0978442 1.0386348 -2.4492437 -0.7323620 0.0601894 -0.2641798 -1.0734308 25 S -2.7222579 -0.3927892 0.3838580 -0.4093569 -2.8653789 -0.2112109 0.2507530 -0.0850208 -1.0675996 26 S -3.0143829 -1.1471108 -0.0978442 -1.0386348 -2.4492437 0.7323620 0.0601894 0.2641798 -1.0734308 27 S -3.0143829 -1.1471108 -0.0978442 -1.0386348 -2.4492437 0.7323620 0.0601894 0.2641798 -1.0734308 28 S -2.2394295 -0.4487184 -0.1551021 -0.6347639 -2.6477797 -0.3693602 0.0538959 -0.1384763 -1.4430031 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 880 - Time: 0.894 Solver_block: 200 / 880 - Time: 0.801 Solver_block: 300 / 880 - Time: 0.793 Solver_block: 400 / 880 - Time: 0.792 Solver_block: 500 / 880 - Time: 0.794 Solver_block: 600 / 880 - Time: 0.798 Solver_block: 700 / 880 - Time: 0.798 Solver_block: 800 / 880 - Time: 0.809 Solver_block: 880 / 880 - Time: 0.663 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.327 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:50:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:50:27]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.549796494807087 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741213769999999 0.000000000000000 c -5.529558615961673 0.000000000000000 17.056822260525813 Atomic positions (fractional): 1 Rb 0.72810653004908 0.25219093323306 0.46685126258176 85.468 2 Rb 0.27189346995092 0.75219093323306 0.03314873741824 85.468 3 Rb 0.27189346995092 0.74780906676694 0.53314873741824 85.468 4 Rb 0.72810653004908 0.24780906676694 0.96685126258176 85.468 5 Ge 0.78808145573555 0.76814823690085 0.33804225952774 72.640 6 Ge 0.21191854426445 0.26814823690085 0.16195774047226 72.640 7 Ge 0.21191854426445 0.23185176309915 0.66195774047226 72.640 8 Ge 0.78808145573555 0.73185176309915 0.83804225952774 72.640 9 Bi 0.76462750665260 0.21722499881558 0.22248548266861 208.980 10 Bi 0.76462750665260 0.28277500118442 0.72248548266861 208.980 11 Bi 0.23537249334740 0.71722499881558 0.27751451733139 208.980 12 Bi 0.23537249334740 0.78277500118442 0.77751451733139 208.980 13 S 0.02804163565668 0.49055288362634 0.86138589642550 32.065 14 S 0.41779202140491 0.25767005534855 0.08553540863930 32.065 15 S 0.99243984584044 0.99997717531736 0.85202517784048 32.065 16 S 0.99243984584044 0.50002282468264 0.35202517784048 32.065 17 S 0.00756015415956 0.00002282468264 0.14797482215952 32.065 18 S 0.57782656108743 0.66874763386472 0.71645847979608 32.065 19 S 0.58220797859509 0.74232994465145 0.91446459136070 32.065 20 S 0.02804163565668 0.00944711637366 0.36138589642550 32.065 21 S 0.58220797859509 0.75767005534855 0.41446459136070 32.065 22 S 0.97195836434332 0.99055288362634 0.63861410357450 32.065 23 S 0.41779202140491 0.24232994465145 0.58553540863930 32.065 24 S 0.42217343891257 0.33125236613528 0.28354152020392 32.065 25 S 0.00756015415956 0.49997717531736 0.64797482215952 32.065 26 S 0.42217343891257 0.16874763386472 0.78354152020392 32.065 27 S 0.57782656108743 0.83125236613528 0.21645847979608 32.065 28 S 0.97195836434332 0.50944711637366 0.13861410357450 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.099592989614173 0.000000000000000 0.000000000000000 b 0.000000000000000 13.482427539999998 0.000000000000000 c -5.529558615961673 0.000000000000000 17.056822260525813 Atomic positions (fractional): 1 Rb 0.36405326502454 0.12609546661653 0.46685126258176 85.468 > 1 2 Rb 0.86405326502454 0.12609546661653 0.46685126258176 85.468 > 1 3 Rb 0.36405326502454 0.62609546661653 0.46685126258176 85.468 > 1 4 Rb 0.86405326502454 0.62609546661653 0.46685126258176 85.468 > 1 5 Rb 0.13594673497546 0.37609546661653 0.03314873741824 85.468 > 5 6 Rb 0.63594673497546 0.37609546661653 0.03314873741824 85.468 > 5 7 Rb 0.13594673497546 0.87609546661653 0.03314873741824 85.468 > 5 8 Rb 0.63594673497546 0.87609546661653 0.03314873741824 85.468 > 5 9 Rb 0.13594673497546 0.37390453338347 0.53314873741824 85.468 > 9 10 Rb 0.63594673497546 0.37390453338347 0.53314873741824 85.468 > 9 11 Rb 0.13594673497546 0.87390453338347 0.53314873741824 85.468 > 9 12 Rb 0.63594673497546 0.87390453338347 0.53314873741824 85.468 > 9 13 Rb 0.36405326502454 0.12390453338347 0.96685126258176 85.468 > 13 14 Rb 0.86405326502454 0.12390453338347 0.96685126258176 85.468 > 13 15 Rb 0.36405326502454 0.62390453338347 0.96685126258176 85.468 > 13 16 Rb 0.86405326502454 0.62390453338347 0.96685126258176 85.468 > 13 17 Ge 0.39404072786777 0.38407411845043 0.33804225952774 72.640 > 17 18 Ge 0.89404072786777 0.38407411845043 0.33804225952774 72.640 > 17 19 Ge 0.39404072786777 0.88407411845043 0.33804225952774 72.640 > 17 20 Ge 0.89404072786777 0.88407411845043 0.33804225952774 72.640 > 17 21 Ge 0.10595927213223 0.13407411845043 0.16195774047226 72.640 > 21 22 Ge 0.60595927213223 0.13407411845043 0.16195774047226 72.640 > 21 23 Ge 0.10595927213223 0.63407411845043 0.16195774047226 72.640 > 21 24 Ge 0.60595927213223 0.63407411845043 0.16195774047226 72.640 > 21 25 Ge 0.10595927213223 0.11592588154957 0.66195774047226 72.640 > 25 26 Ge 0.60595927213223 0.11592588154957 0.66195774047226 72.640 > 25 27 Ge 0.10595927213223 0.61592588154957 0.66195774047226 72.640 > 25 28 Ge 0.60595927213223 0.61592588154957 0.66195774047226 72.640 > 25 29 Ge 0.39404072786777 0.36592588154957 0.83804225952774 72.640 > 29 30 Ge 0.89404072786777 0.36592588154957 0.83804225952774 72.640 > 29 31 Ge 0.39404072786777 0.86592588154957 0.83804225952774 72.640 > 29 32 Ge 0.89404072786777 0.86592588154957 0.83804225952774 72.640 > 29 33 Bi 0.38231375332630 0.10861249940779 0.22248548266861 208.980 > 33 34 Bi 0.88231375332630 0.10861249940779 0.22248548266861 208.980 > 33 35 Bi 0.38231375332630 0.60861249940779 0.22248548266861 208.980 > 33 36 Bi 0.88231375332630 0.60861249940779 0.22248548266861 208.980 > 33 37 Bi 0.38231375332630 0.14138750059221 0.72248548266861 208.980 > 37 38 Bi 0.88231375332630 0.14138750059221 0.72248548266861 208.980 > 37 39 Bi 0.38231375332630 0.64138750059221 0.72248548266861 208.980 > 37 40 Bi 0.88231375332630 0.64138750059221 0.72248548266861 208.980 > 37 41 Bi 0.11768624667370 0.35861249940779 0.27751451733139 208.980 > 41 42 Bi 0.61768624667370 0.35861249940779 0.27751451733139 208.980 > 41 43 Bi 0.11768624667370 0.85861249940779 0.27751451733139 208.980 > 41 44 Bi 0.61768624667370 0.85861249940779 0.27751451733139 208.980 > 41 45 Bi 0.11768624667370 0.39138750059221 0.77751451733139 208.980 > 45 46 Bi 0.61768624667370 0.39138750059221 0.77751451733139 208.980 > 45 47 Bi 0.11768624667370 0.89138750059221 0.77751451733139 208.980 > 45 48 Bi 0.61768624667370 0.89138750059221 0.77751451733139 208.980 > 45 49 S 0.01402081782834 0.24527644181317 0.86138589642550 32.065 > 49 50 S 0.51402081782834 0.24527644181317 0.86138589642550 32.065 > 49 51 S 0.01402081782834 0.74527644181317 0.86138589642550 32.065 > 49 52 S 0.51402081782834 0.74527644181317 0.86138589642550 32.065 > 49 53 S 0.20889601070245 0.12883502767428 0.08553540863930 32.065 > 53 54 S 0.70889601070245 0.12883502767428 0.08553540863930 32.065 > 53 55 S 0.20889601070245 0.62883502767428 0.08553540863930 32.065 > 53 56 S 0.70889601070245 0.62883502767428 0.08553540863930 32.065 > 53 57 S 0.49621992292022 0.49998858765868 0.85202517784048 32.065 > 57 58 S 0.99621992292022 0.49998858765868 0.85202517784048 32.065 > 57 59 S 0.49621992292022 0.99998858765868 0.85202517784048 32.065 > 57 60 S 0.99621992292022 0.99998858765868 0.85202517784048 32.065 > 57 61 S 0.49621992292022 0.25001141234132 0.35202517784048 32.065 > 61 62 S 0.99621992292022 0.25001141234132 0.35202517784048 32.065 > 61 63 S 0.49621992292022 0.75001141234132 0.35202517784048 32.065 > 61 64 S 0.99621992292022 0.75001141234132 0.35202517784048 32.065 > 61 65 S 0.00378007707978 0.00001141234132 0.14797482215952 32.065 > 65 66 S 0.50378007707978 0.00001141234132 0.14797482215952 32.065 > 65 67 S 0.00378007707978 0.50001141234132 0.14797482215952 32.065 > 65 68 S 0.50378007707978 0.50001141234132 0.14797482215952 32.065 > 65 69 S 0.28891328054371 0.33437381693236 0.71645847979608 32.065 > 69 70 S 0.78891328054371 0.33437381693236 0.71645847979608 32.065 > 69 71 S 0.28891328054371 0.83437381693236 0.71645847979608 32.065 > 69 72 S 0.78891328054371 0.83437381693236 0.71645847979608 32.065 > 69 73 S 0.29110398929755 0.37116497232572 0.91446459136070 32.065 > 73 74 S 0.79110398929755 0.37116497232572 0.91446459136070 32.065 > 73 75 S 0.29110398929755 0.87116497232572 0.91446459136070 32.065 > 73 76 S 0.79110398929755 0.87116497232572 0.91446459136070 32.065 > 73 77 S 0.01402081782834 0.00472355818683 0.36138589642550 32.065 > 77 78 S 0.51402081782834 0.00472355818683 0.36138589642550 32.065 > 77 79 S 0.01402081782834 0.50472355818683 0.36138589642550 32.065 > 77 80 S 0.51402081782834 0.50472355818683 0.36138589642550 32.065 > 77 81 S 0.29110398929755 0.37883502767428 0.41446459136070 32.065 > 81 82 S 0.79110398929755 0.37883502767428 0.41446459136070 32.065 > 81 83 S 0.29110398929755 0.87883502767428 0.41446459136070 32.065 > 81 84 S 0.79110398929755 0.87883502767428 0.41446459136070 32.065 > 81 85 S 0.48597918217166 0.49527644181317 0.63861410357450 32.065 > 85 86 S 0.98597918217166 0.49527644181317 0.63861410357450 32.065 > 85 87 S 0.48597918217166 0.99527644181317 0.63861410357450 32.065 > 85 88 S 0.98597918217166 0.99527644181317 0.63861410357450 32.065 > 85 89 S 0.20889601070245 0.12116497232572 0.58553540863930 32.065 > 89 90 S 0.70889601070245 0.12116497232572 0.58553540863930 32.065 > 89 91 S 0.20889601070245 0.62116497232572 0.58553540863930 32.065 > 89 92 S 0.70889601070245 0.62116497232572 0.58553540863930 32.065 > 89 93 S 0.21108671945629 0.16562618306764 0.28354152020392 32.065 > 93 94 S 0.71108671945629 0.16562618306764 0.28354152020392 32.065 > 93 95 S 0.21108671945629 0.66562618306764 0.28354152020392 32.065 > 93 96 S 0.71108671945629 0.66562618306764 0.28354152020392 32.065 > 93 97 S 0.00378007707978 0.24998858765868 0.64797482215952 32.065 > 97 98 S 0.50378007707978 0.24998858765868 0.64797482215952 32.065 > 97 99 S 0.00378007707978 0.74998858765868 0.64797482215952 32.065 > 97 100 S 0.50378007707978 0.74998858765868 0.64797482215952 32.065 > 97 101 S 0.21108671945629 0.08437381693236 0.78354152020392 32.065 > 101 102 S 0.71108671945629 0.08437381693236 0.78354152020392 32.065 > 101 103 S 0.21108671945629 0.58437381693236 0.78354152020392 32.065 > 101 104 S 0.71108671945629 0.58437381693236 0.78354152020392 32.065 > 101 105 S 0.28891328054371 0.41562618306764 0.21645847979608 32.065 > 105 106 S 0.78891328054371 0.41562618306764 0.21645847979608 32.065 > 105 107 S 0.28891328054371 0.91562618306764 0.21645847979608 32.065 > 105 108 S 0.78891328054371 0.91562618306764 0.21645847979608 32.065 > 105 109 S 0.48597918217166 0.25472355818683 0.13861410357450 32.065 > 109 110 S 0.98597918217166 0.25472355818683 0.13861410357450 32.065 > 109 111 S 0.48597918217166 0.75472355818683 0.13861410357450 32.065 > 109 112 S 0.98597918217166 0.75472355818683 0.13861410357450 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4973424 0.0000000 -0.0791320 0.0000000 7.2980158 0.0000000 -0.0791325 0.0000000 4.5212674 -------------------------- Born effective charges -------------------------- 1 Rb 1.2029215 0.0129895 -0.1018287 -0.0117795 1.2797291 -0.0888387 -0.1126316 -0.0381470 1.9604426 2 Rb 1.2029215 -0.0129895 -0.1018287 0.0117795 1.2797291 0.0888387 -0.1126316 0.0381470 1.9604426 3 Rb 1.2029215 0.0129895 -0.1018287 -0.0117795 1.2797291 -0.0888387 -0.1126316 -0.0381470 1.9604426 4 Rb 1.2029215 -0.0129895 -0.1018287 0.0117795 1.2797291 0.0888387 -0.1126316 0.0381470 1.9604426 5 Ge 3.6493585 -0.3807961 0.0663130 -0.1610837 2.3803530 -1.0130498 -0.4182189 -0.0742697 0.9951175 6 Ge 3.6493585 0.3807961 0.0663130 0.1610837 2.3803530 1.0130498 -0.4182189 0.0742697 0.9951175 7 Ge 3.6493585 -0.3807961 0.0663130 -0.1610837 2.3803530 -1.0130498 -0.4182189 -0.0742697 0.9951175 8 Ge 3.6493585 0.3807961 0.0663130 0.1610837 2.3803530 1.0130498 -0.4182189 0.0742697 0.9951175 9 Bi 5.8901787 0.4633528 0.0305803 -0.4566471 5.3059680 0.1669142 0.1770567 -0.2947118 2.4462416 10 Bi 5.8901787 -0.4633528 0.0305803 0.4566471 5.3059680 -0.1669142 0.1770567 0.2947118 2.4462416 11 Bi 5.8901787 -0.4633528 0.0305803 0.4566471 5.3059680 -0.1669142 0.1770567 0.2947118 2.4462416 12 Bi 5.8901787 0.4633528 0.0305803 -0.4566471 5.3059680 0.1669142 0.1770567 -0.2947118 2.4462416 13 S -2.2394295 -0.4487184 -0.1551021 -0.6347639 -2.6477797 -0.3693602 0.0538959 -0.1384763 -1.4430031 14 S -2.7663885 0.0534960 -0.1259764 0.3117446 -1.0036477 0.1357513 -0.0110445 0.0991303 -1.8177682 15 S -2.7222579 0.3927892 0.3838580 0.4093569 -2.8653789 0.2112109 0.2507530 0.0850208 -1.0675996 16 S -2.7222579 -0.3927892 0.3838580 -0.4093569 -2.8653789 -0.2112109 0.2507530 -0.0850208 -1.0675996 17 S -2.7222579 0.3927892 0.3838580 0.4093569 -2.8653789 0.2112109 0.2507530 0.0850208 -1.0675996 18 S -3.0143829 1.1471108 -0.0978442 1.0386348 -2.4492437 -0.7323620 0.0601894 -0.2641798 -1.0734308 19 S -2.7663885 0.0534960 -0.1259764 0.3117446 -1.0036477 0.1357513 -0.0110445 0.0991303 -1.8177682 20 S -2.2394295 0.4487184 -0.1551021 0.6347639 -2.6477797 0.3693602 0.0538959 0.1384763 -1.4430031 21 S -2.7663885 -0.0534960 -0.1259764 -0.3117446 -1.0036477 -0.1357513 -0.0110445 -0.0991303 -1.8177682 22 S -2.2394295 0.4487184 -0.1551021 0.6347639 -2.6477797 0.3693602 0.0538959 0.1384763 -1.4430031 23 S -2.7663885 -0.0534960 -0.1259764 -0.3117446 -1.0036477 -0.1357513 -0.0110445 -0.0991303 -1.8177682 24 S -3.0143829 1.1471108 -0.0978442 1.0386348 -2.4492437 -0.7323620 0.0601894 -0.2641798 -1.0734308 25 S -2.7222579 -0.3927892 0.3838580 -0.4093569 -2.8653789 -0.2112109 0.2507530 -0.0850208 -1.0675996 26 S -3.0143829 -1.1471108 -0.0978442 -1.0386348 -2.4492437 0.7323620 0.0601894 0.2641798 -1.0734308 27 S -3.0143829 -1.1471108 -0.0978442 -1.0386348 -2.4492437 0.7323620 0.0601894 0.2641798 -1.0734308 28 S -2.2394295 -0.4487184 -0.1551021 -0.6347639 -2.6477797 -0.3693602 0.0538959 -0.1384763 -1.4430031 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 69, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:50:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:50:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.549796494807087 0.000000000000000 0.000000000000000 b 0.000000000000000 6.741213769999999 0.000000000000000 c -5.529558615961673 0.000000000000000 17.056822260525813 Atomic positions (fractional): 1 Rb 0.72810653004908 0.25219093323306 0.46685126258176 85.468 2 Rb 0.27189346995092 0.75219093323306 0.03314873741824 85.468 3 Rb 0.27189346995092 0.74780906676694 0.53314873741824 85.468 4 Rb 0.72810653004908 0.24780906676694 0.96685126258176 85.468 5 Ge 0.78808145573555 0.76814823690085 0.33804225952774 72.640 6 Ge 0.21191854426445 0.26814823690085 0.16195774047226 72.640 7 Ge 0.21191854426445 0.23185176309915 0.66195774047226 72.640 8 Ge 0.78808145573555 0.73185176309915 0.83804225952774 72.640 9 Bi 0.76462750665260 0.21722499881558 0.22248548266861 208.980 10 Bi 0.76462750665260 0.28277500118442 0.72248548266861 208.980 11 Bi 0.23537249334740 0.71722499881558 0.27751451733139 208.980 12 Bi 0.23537249334740 0.78277500118442 0.77751451733139 208.980 13 S 0.02804163565668 0.49055288362634 0.86138589642550 32.065 14 S 0.41779202140491 0.25767005534855 0.08553540863930 32.065 15 S 0.99243984584044 0.99997717531736 0.85202517784048 32.065 16 S 0.99243984584044 0.50002282468264 0.35202517784048 32.065 17 S 0.00756015415956 0.00002282468264 0.14797482215952 32.065 18 S 0.57782656108743 0.66874763386472 0.71645847979608 32.065 19 S 0.58220797859509 0.74232994465145 0.91446459136070 32.065 20 S 0.02804163565668 0.00944711637366 0.36138589642550 32.065 21 S 0.58220797859509 0.75767005534855 0.41446459136070 32.065 22 S 0.97195836434332 0.99055288362634 0.63861410357450 32.065 23 S 0.41779202140491 0.24232994465145 0.58553540863930 32.065 24 S 0.42217343891257 0.33125236613528 0.28354152020392 32.065 25 S 0.00756015415956 0.49997717531736 0.64797482215952 32.065 26 S 0.42217343891257 0.16874763386472 0.78354152020392 32.065 27 S 0.57782656108743 0.83125236613528 0.21645847979608 32.065 28 S 0.97195836434332 0.50944711637366 0.13861410357450 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.099592989614173 0.000000000000000 0.000000000000000 b 0.000000000000000 13.482427539999998 0.000000000000000 c -5.529558615961673 0.000000000000000 17.056822260525813 Atomic positions (fractional): 1 Rb 0.36405326502454 0.12609546661653 0.46685126258176 85.468 > 1 2 Rb 0.86405326502454 0.12609546661653 0.46685126258176 85.468 > 1 3 Rb 0.36405326502454 0.62609546661653 0.46685126258176 85.468 > 1 4 Rb 0.86405326502454 0.62609546661653 0.46685126258176 85.468 > 1 5 Rb 0.13594673497546 0.37609546661653 0.03314873741824 85.468 > 5 6 Rb 0.63594673497546 0.37609546661653 0.03314873741824 85.468 > 5 7 Rb 0.13594673497546 0.87609546661653 0.03314873741824 85.468 > 5 8 Rb 0.63594673497546 0.87609546661653 0.03314873741824 85.468 > 5 9 Rb 0.13594673497546 0.37390453338347 0.53314873741824 85.468 > 9 10 Rb 0.63594673497546 0.37390453338347 0.53314873741824 85.468 > 9 11 Rb 0.13594673497546 0.87390453338347 0.53314873741824 85.468 > 9 12 Rb 0.63594673497546 0.87390453338347 0.53314873741824 85.468 > 9 13 Rb 0.36405326502454 0.12390453338347 0.96685126258176 85.468 > 13 14 Rb 0.86405326502454 0.12390453338347 0.96685126258176 85.468 > 13 15 Rb 0.36405326502454 0.62390453338347 0.96685126258176 85.468 > 13 16 Rb 0.86405326502454 0.62390453338347 0.96685126258176 85.468 > 13 17 Ge 0.39404072786777 0.38407411845043 0.33804225952774 72.640 > 17 18 Ge 0.89404072786777 0.38407411845043 0.33804225952774 72.640 > 17 19 Ge 0.39404072786777 0.88407411845043 0.33804225952774 72.640 > 17 20 Ge 0.89404072786777 0.88407411845043 0.33804225952774 72.640 > 17 21 Ge 0.10595927213223 0.13407411845043 0.16195774047226 72.640 > 21 22 Ge 0.60595927213223 0.13407411845043 0.16195774047226 72.640 > 21 23 Ge 0.10595927213223 0.63407411845043 0.16195774047226 72.640 > 21 24 Ge 0.60595927213223 0.63407411845043 0.16195774047226 72.640 > 21 25 Ge 0.10595927213223 0.11592588154957 0.66195774047226 72.640 > 25 26 Ge 0.60595927213223 0.11592588154957 0.66195774047226 72.640 > 25 27 Ge 0.10595927213223 0.61592588154957 0.66195774047226 72.640 > 25 28 Ge 0.60595927213223 0.61592588154957 0.66195774047226 72.640 > 25 29 Ge 0.39404072786777 0.36592588154957 0.83804225952774 72.640 > 29 30 Ge 0.89404072786777 0.36592588154957 0.83804225952774 72.640 > 29 31 Ge 0.39404072786777 0.86592588154957 0.83804225952774 72.640 > 29 32 Ge 0.89404072786777 0.86592588154957 0.83804225952774 72.640 > 29 33 Bi 0.38231375332630 0.10861249940779 0.22248548266861 208.980 > 33 34 Bi 0.88231375332630 0.10861249940779 0.22248548266861 208.980 > 33 35 Bi 0.38231375332630 0.60861249940779 0.22248548266861 208.980 > 33 36 Bi 0.88231375332630 0.60861249940779 0.22248548266861 208.980 > 33 37 Bi 0.38231375332630 0.14138750059221 0.72248548266861 208.980 > 37 38 Bi 0.88231375332630 0.14138750059221 0.72248548266861 208.980 > 37 39 Bi 0.38231375332630 0.64138750059221 0.72248548266861 208.980 > 37 40 Bi 0.88231375332630 0.64138750059221 0.72248548266861 208.980 > 37 41 Bi 0.11768624667370 0.35861249940779 0.27751451733139 208.980 > 41 42 Bi 0.61768624667370 0.35861249940779 0.27751451733139 208.980 > 41 43 Bi 0.11768624667370 0.85861249940779 0.27751451733139 208.980 > 41 44 Bi 0.61768624667370 0.85861249940779 0.27751451733139 208.980 > 41 45 Bi 0.11768624667370 0.39138750059221 0.77751451733139 208.980 > 45 46 Bi 0.61768624667370 0.39138750059221 0.77751451733139 208.980 > 45 47 Bi 0.11768624667370 0.89138750059221 0.77751451733139 208.980 > 45 48 Bi 0.61768624667370 0.89138750059221 0.77751451733139 208.980 > 45 49 S 0.01402081782834 0.24527644181317 0.86138589642550 32.065 > 49 50 S 0.51402081782834 0.24527644181317 0.86138589642550 32.065 > 49 51 S 0.01402081782834 0.74527644181317 0.86138589642550 32.065 > 49 52 S 0.51402081782834 0.74527644181317 0.86138589642550 32.065 > 49 53 S 0.20889601070245 0.12883502767428 0.08553540863930 32.065 > 53 54 S 0.70889601070245 0.12883502767428 0.08553540863930 32.065 > 53 55 S 0.20889601070245 0.62883502767428 0.08553540863930 32.065 > 53 56 S 0.70889601070245 0.62883502767428 0.08553540863930 32.065 > 53 57 S 0.49621992292022 0.49998858765868 0.85202517784048 32.065 > 57 58 S 0.99621992292022 0.49998858765868 0.85202517784048 32.065 > 57 59 S 0.49621992292022 0.99998858765868 0.85202517784048 32.065 > 57 60 S 0.99621992292022 0.99998858765868 0.85202517784048 32.065 > 57 61 S 0.49621992292022 0.25001141234132 0.35202517784048 32.065 > 61 62 S 0.99621992292022 0.25001141234132 0.35202517784048 32.065 > 61 63 S 0.49621992292022 0.75001141234132 0.35202517784048 32.065 > 61 64 S 0.99621992292022 0.75001141234132 0.35202517784048 32.065 > 61 65 S 0.00378007707978 0.00001141234132 0.14797482215952 32.065 > 65 66 S 0.50378007707978 0.00001141234132 0.14797482215952 32.065 > 65 67 S 0.00378007707978 0.50001141234132 0.14797482215952 32.065 > 65 68 S 0.50378007707978 0.50001141234132 0.14797482215952 32.065 > 65 69 S 0.28891328054371 0.33437381693236 0.71645847979608 32.065 > 69 70 S 0.78891328054371 0.33437381693236 0.71645847979608 32.065 > 69 71 S 0.28891328054371 0.83437381693236 0.71645847979608 32.065 > 69 72 S 0.78891328054371 0.83437381693236 0.71645847979608 32.065 > 69 73 S 0.29110398929755 0.37116497232572 0.91446459136070 32.065 > 73 74 S 0.79110398929755 0.37116497232572 0.91446459136070 32.065 > 73 75 S 0.29110398929755 0.87116497232572 0.91446459136070 32.065 > 73 76 S 0.79110398929755 0.87116497232572 0.91446459136070 32.065 > 73 77 S 0.01402081782834 0.00472355818683 0.36138589642550 32.065 > 77 78 S 0.51402081782834 0.00472355818683 0.36138589642550 32.065 > 77 79 S 0.01402081782834 0.50472355818683 0.36138589642550 32.065 > 77 80 S 0.51402081782834 0.50472355818683 0.36138589642550 32.065 > 77 81 S 0.29110398929755 0.37883502767428 0.41446459136070 32.065 > 81 82 S 0.79110398929755 0.37883502767428 0.41446459136070 32.065 > 81 83 S 0.29110398929755 0.87883502767428 0.41446459136070 32.065 > 81 84 S 0.79110398929755 0.87883502767428 0.41446459136070 32.065 > 81 85 S 0.48597918217166 0.49527644181317 0.63861410357450 32.065 > 85 86 S 0.98597918217166 0.49527644181317 0.63861410357450 32.065 > 85 87 S 0.48597918217166 0.99527644181317 0.63861410357450 32.065 > 85 88 S 0.98597918217166 0.99527644181317 0.63861410357450 32.065 > 85 89 S 0.20889601070245 0.12116497232572 0.58553540863930 32.065 > 89 90 S 0.70889601070245 0.12116497232572 0.58553540863930 32.065 > 89 91 S 0.20889601070245 0.62116497232572 0.58553540863930 32.065 > 89 92 S 0.70889601070245 0.62116497232572 0.58553540863930 32.065 > 89 93 S 0.21108671945629 0.16562618306764 0.28354152020392 32.065 > 93 94 S 0.71108671945629 0.16562618306764 0.28354152020392 32.065 > 93 95 S 0.21108671945629 0.66562618306764 0.28354152020392 32.065 > 93 96 S 0.71108671945629 0.66562618306764 0.28354152020392 32.065 > 93 97 S 0.00378007707978 0.24998858765868 0.64797482215952 32.065 > 97 98 S 0.50378007707978 0.24998858765868 0.64797482215952 32.065 > 97 99 S 0.00378007707978 0.74998858765868 0.64797482215952 32.065 > 97 100 S 0.50378007707978 0.74998858765868 0.64797482215952 32.065 > 97 101 S 0.21108671945629 0.08437381693236 0.78354152020392 32.065 > 101 102 S 0.71108671945629 0.08437381693236 0.78354152020392 32.065 > 101 103 S 0.21108671945629 0.58437381693236 0.78354152020392 32.065 > 101 104 S 0.71108671945629 0.58437381693236 0.78354152020392 32.065 > 101 105 S 0.28891328054371 0.41562618306764 0.21645847979608 32.065 > 105 106 S 0.78891328054371 0.41562618306764 0.21645847979608 32.065 > 105 107 S 0.28891328054371 0.91562618306764 0.21645847979608 32.065 > 105 108 S 0.78891328054371 0.91562618306764 0.21645847979608 32.065 > 105 109 S 0.48597918217166 0.25472355818683 0.13861410357450 32.065 > 109 110 S 0.98597918217166 0.25472355818683 0.13861410357450 32.065 > 109 111 S 0.48597918217166 0.75472355818683 0.13861410357450 32.065 > 109 112 S 0.98597918217166 0.75472355818683 0.13861410357450 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4973424 0.0000000 -0.0791320 0.0000000 7.2980158 0.0000000 -0.0791325 0.0000000 4.5212674 -------------------------- Born effective charges -------------------------- 1 Rb 1.2029215 0.0129895 -0.1018287 -0.0117795 1.2797291 -0.0888387 -0.1126316 -0.0381470 1.9604426 2 Rb 1.2029215 -0.0129895 -0.1018287 0.0117795 1.2797291 0.0888387 -0.1126316 0.0381470 1.9604426 3 Rb 1.2029215 0.0129895 -0.1018287 -0.0117795 1.2797291 -0.0888387 -0.1126316 -0.0381470 1.9604426 4 Rb 1.2029215 -0.0129895 -0.1018287 0.0117795 1.2797291 0.0888387 -0.1126316 0.0381470 1.9604426 5 Ge 3.6493585 -0.3807961 0.0663130 -0.1610837 2.3803530 -1.0130498 -0.4182189 -0.0742697 0.9951175 6 Ge 3.6493585 0.3807961 0.0663130 0.1610837 2.3803530 1.0130498 -0.4182189 0.0742697 0.9951175 7 Ge 3.6493585 -0.3807961 0.0663130 -0.1610837 2.3803530 -1.0130498 -0.4182189 -0.0742697 0.9951175 8 Ge 3.6493585 0.3807961 0.0663130 0.1610837 2.3803530 1.0130498 -0.4182189 0.0742697 0.9951175 9 Bi 5.8901787 0.4633528 0.0305803 -0.4566471 5.3059680 0.1669142 0.1770567 -0.2947118 2.4462416 10 Bi 5.8901787 -0.4633528 0.0305803 0.4566471 5.3059680 -0.1669142 0.1770567 0.2947118 2.4462416 11 Bi 5.8901787 -0.4633528 0.0305803 0.4566471 5.3059680 -0.1669142 0.1770567 0.2947118 2.4462416 12 Bi 5.8901787 0.4633528 0.0305803 -0.4566471 5.3059680 0.1669142 0.1770567 -0.2947118 2.4462416 13 S -2.2394295 -0.4487184 -0.1551021 -0.6347639 -2.6477797 -0.3693602 0.0538959 -0.1384763 -1.4430031 14 S -2.7663885 0.0534960 -0.1259764 0.3117446 -1.0036477 0.1357513 -0.0110445 0.0991303 -1.8177682 15 S -2.7222579 0.3927892 0.3838580 0.4093569 -2.8653789 0.2112109 0.2507530 0.0850208 -1.0675996 16 S -2.7222579 -0.3927892 0.3838580 -0.4093569 -2.8653789 -0.2112109 0.2507530 -0.0850208 -1.0675996 17 S -2.7222579 0.3927892 0.3838580 0.4093569 -2.8653789 0.2112109 0.2507530 0.0850208 -1.0675996 18 S -3.0143829 1.1471108 -0.0978442 1.0386348 -2.4492437 -0.7323620 0.0601894 -0.2641798 -1.0734308 19 S -2.7663885 0.0534960 -0.1259764 0.3117446 -1.0036477 0.1357513 -0.0110445 0.0991303 -1.8177682 20 S -2.2394295 0.4487184 -0.1551021 0.6347639 -2.6477797 0.3693602 0.0538959 0.1384763 -1.4430031 21 S -2.7663885 -0.0534960 -0.1259764 -0.3117446 -1.0036477 -0.1357513 -0.0110445 -0.0991303 -1.8177682 22 S -2.2394295 0.4487184 -0.1551021 0.6347639 -2.6477797 0.3693602 0.0538959 0.1384763 -1.4430031 23 S -2.7663885 -0.0534960 -0.1259764 -0.3117446 -1.0036477 -0.1357513 -0.0110445 -0.0991303 -1.8177682 24 S -3.0143829 1.1471108 -0.0978442 1.0386348 -2.4492437 -0.7323620 0.0601894 -0.2641798 -1.0734308 25 S -2.7222579 -0.3927892 0.3838580 -0.4093569 -2.8653789 -0.2112109 0.2507530 -0.0850208 -1.0675996 26 S -3.0143829 -1.1471108 -0.0978442 -1.0386348 -2.4492437 0.7323620 0.0601894 0.2641798 -1.0734308 27 S -3.0143829 -1.1471108 -0.0978442 -1.0386348 -2.4492437 0.7323620 0.0601894 0.2641798 -1.0734308 28 S -2.2394295 -0.4487184 -0.1551021 -0.6347639 -2.6477797 -0.3693602 0.0538959 -0.1384763 -1.4430031 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 3 ] 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: 0.46, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 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 0.559 ( 0.000 0.000 0.000) 0.000 0.630 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 10.723 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 10.816 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.436 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 0.000) 0.000 11.936 ( 0.000 0.000 0.000) 0.000 11.968 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 11.992 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 17.868 0.000 5.000) 18.554 0.323 ( 13.782 0.000 8.752) 16.326 0.594 ( 18.724 0.000 2.329) 18.868 0.721 ( 22.604 0.000 -3.594) 22.888 0.842 ( 15.469 0.000 0.357) 15.473 0.999 ( -7.872 0.000 -1.754) 8.065 1.257 ( 0.267 0.000 1.755) 1.776 1.315 ( 5.277 0.000 -2.714) 5.934 1.396 ( -2.017 0.000 2.361) 3.105 1.454 ( 4.496 0.000 -2.257) 5.030 1.459 ( 1.173 0.000 2.398) 2.669 1.467 ( -2.629 0.000 -4.046) 4.825 1.541 ( -0.564 0.000 2.438) 2.502 1.550 ( 0.598 0.000 -0.714) 0.932 1.615 ( 0.699 0.000 0.864) 1.111 1.650 ( -3.346 0.000 -1.569) 3.695 1.727 ( -1.674 0.000 -0.572) 1.769 1.816 ( -1.333 0.000 -0.909) 1.613 1.902 ( 6.326 0.000 1.234) 6.445 1.931 ( 7.078 0.000 -1.548) 7.246 2.044 ( 3.804 0.000 -0.460) 3.832 2.101 ( 7.224 0.000 0.461) 7.238 2.120 ( 3.972 0.000 2.068) 4.478 2.210 ( -0.459 0.000 -2.137) 2.186 2.464 ( -0.182 0.000 -1.612) 1.622 2.481 ( -4.611 0.000 1.015) 4.722 2.563 ( -0.640 0.000 3.076) 3.142 2.612 ( -0.416 0.000 -1.813) 1.861 2.730 ( -0.825 0.000 0.509) 0.969 2.772 ( 0.709 0.000 -0.387) 0.808 3.094 ( -6.980 0.000 -0.682) 7.013 3.163 ( -6.512 0.000 2.739) 7.065 3.213 ( -6.155 0.000 -1.032) 6.241 3.262 ( -4.294 0.000 -1.336) 4.497 3.394 ( 3.663 0.000 -0.437) 3.689 3.476 ( -1.402 0.000 -0.651) 1.546 3.564 ( 5.937 0.000 -1.220) 6.061 3.582 ( 2.914 0.000 1.344) 3.209 3.701 ( 3.666 0.000 1.216) 3.862 3.707 ( -0.291 0.000 -0.558) 0.630 3.760 ( 2.803 0.000 4.581) 5.370 3.771 ( -0.653 0.000 -1.558) 1.689 3.890 ( 3.800 0.000 1.557) 4.107 4.145 ( -2.362 0.000 -3.385) 4.128 4.279 ( 4.429 0.000 -0.275) 4.437 4.340 ( 5.300 0.000 -3.394) 6.294 4.694 ( -6.120 0.000 -1.067) 6.212 4.747 ( -3.309 0.000 0.448) 3.339 4.881 ( 3.627 0.000 -0.379) 3.647 4.883 ( 3.181 0.000 0.972) 3.327 5.250 ( 1.494 0.000 1.112) 1.862 5.275 ( 0.763 0.000 -1.145) 1.376 5.514 ( -6.783 0.000 1.333) 6.913 5.578 ( -6.309 0.000 -2.511) 6.790 5.685 ( -0.476 0.000 0.259) 0.542 5.687 ( -4.469 0.000 -0.009) 4.469 6.112 ( 0.053 0.000 1.720) 1.720 6.125 ( -1.253 0.000 -0.730) 1.451 6.227 ( 6.121 0.000 -1.559) 6.317 6.539 ( -8.033 0.000 -6.757) 10.497 6.719 ( -7.863 0.000 -1.756) 8.056 6.929 ( 5.328 0.000 2.612) 5.934 7.145 ( -7.567 0.000 -3.250) 8.235 7.242 ( 5.188 0.000 1.777) 5.484 7.341 ( 9.186 0.000 -1.749) 9.351 7.545 ( 7.290 0.000 -2.427) 7.683 7.562 ( 2.984 0.000 0.565) 3.037 7.712 ( 3.811 0.000 -2.384) 4.495 10.713 ( -0.081 0.000 0.273) 0.285 10.723 ( -0.019 0.000 -0.159) 0.160 10.812 ( -0.301 0.000 -0.332) 0.448 10.832 ( -0.606 0.000 0.966) 1.140 11.100 ( -1.105 0.000 -0.269) 1.137 11.158 ( -2.144 0.000 0.252) 2.158 11.176 ( -0.289 0.000 0.008) 0.289 11.178 ( -0.214 0.000 -0.007) 0.214 11.385 ( -1.134 0.000 0.645) 1.305 11.396 ( -0.569 0.000 -0.102) 0.578 11.446 ( -1.479 0.000 1.911) 2.417 11.506 ( -5.510 0.000 -1.007) 5.601 11.928 ( 1.670 0.000 -0.705) 1.813 11.975 ( 3.120 0.000 2.198) 3.817 12.201 ( 10.446 0.000 5.436) 11.776 12.365 ( 4.908 0.000 -16.435) 17.152 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 13.767 0.000 4.408) 14.455 0.660 ( 15.506 0.000 4.649) 16.188 0.838 ( 10.297 0.000 1.100) 10.356 0.864 ( -1.172 0.000 -8.660) 8.739 1.070 ( 5.311 0.000 -1.153) 5.435 1.136 ( 13.936 0.000 -1.161) 13.984 1.303 ( 4.007 0.000 2.126) 4.536 1.334 ( -1.411 0.000 -0.393) 1.465 1.357 ( -3.945 0.000 2.957) 4.931 1.394 ( 0.135 0.000 -3.827) 3.829 1.502 ( -0.915 0.000 4.176) 4.275 1.508 ( -1.121 0.000 1.372) 1.772 1.549 ( 0.150 0.000 1.397) 1.405 1.553 ( -4.777 0.000 -0.880) 4.857 1.573 ( 4.867 0.000 -2.935) 5.683 1.647 ( -2.856 0.000 -2.703) 3.933 1.720 ( 6.882 0.000 1.171) 6.981 1.793 ( -0.535 0.000 0.308) 0.617 2.022 ( 4.545 0.000 1.584) 4.814 2.043 ( 5.037 0.000 -2.823) 5.774 2.105 ( 2.730 0.000 2.298) 3.569 2.186 ( 0.834 0.000 -3.456) 3.556 2.238 ( 4.752 0.000 0.324) 4.763 2.259 ( 7.157 0.000 0.999) 7.226 2.425 ( -1.908 0.000 0.235) 1.923 2.459 ( -0.152 0.000 0.375) 0.405 2.580 ( 2.291 0.000 1.016) 2.506 2.613 ( 2.272 0.000 -0.654) 2.364 2.748 ( 1.228 0.000 1.029) 1.602 2.786 ( 1.064 0.000 -0.757) 1.306 2.956 ( -5.873 0.000 -0.832) 5.931 3.023 ( -6.139 0.000 0.154) 6.141 3.181 ( 0.226 0.000 1.078) 1.101 3.182 ( -2.964 0.000 -1.551) 3.346 3.360 ( -4.582 0.000 0.800) 4.651 3.422 ( -3.153 0.000 -0.829) 3.260 3.592 ( -2.763 0.000 1.027) 2.948 3.594 ( -1.935 0.000 -0.967) 2.163 3.706 ( 0.260 0.000 -0.788) 0.829 3.719 ( 0.018 0.000 0.613) 0.613 3.796 ( 4.612 0.000 -1.940) 5.003 3.857 ( 4.041 0.000 2.521) 4.763 4.006 ( 4.309 0.000 2.005) 4.752 4.102 ( -0.542 0.000 -1.640) 1.727 4.354 ( 1.973 0.000 0.205) 1.984 4.388 ( 0.971 0.000 -0.142) 0.981 4.573 ( -5.608 0.000 -0.231) 5.613 4.669 ( -5.386 0.000 -0.544) 5.413 4.942 ( 2.831 0.000 -0.103) 2.833 4.943 ( 2.589 0.000 0.166) 2.594 5.284 ( 0.511 0.000 -1.117) 1.229 5.287 ( 0.791 0.000 1.345) 1.560 5.345 ( -8.340 0.000 0.221) 8.343 5.369 ( -10.465 0.000 -0.090) 10.465 5.651 ( -1.205 0.000 0.222) 1.225 5.675 ( -1.667 0.000 -0.260) 1.687 6.065 ( -4.083 0.000 -2.486) 4.780 6.118 ( -2.584 0.000 5.361) 5.951 6.353 ( 8.113 0.000 -2.029) 8.363 6.417 ( -1.375 0.000 -0.004) 1.375 6.551 ( -6.950 0.000 -3.214) 7.657 6.967 ( -6.606 0.000 -6.677) 9.393 6.997 ( -1.897 0.000 7.130) 7.378 7.244 ( -4.168 0.000 -0.805) 4.245 7.559 ( 8.020 0.000 1.833) 8.227 7.647 ( 6.020 0.000 1.742) 6.267 7.656 ( 4.962 0.000 -1.077) 5.077 7.770 ( 3.504 0.000 -2.829) 4.504 10.716 ( 0.198 0.000 0.484) 0.522 10.720 ( -0.044 0.000 -0.348) 0.350 10.802 ( -0.439 0.000 -0.317) 0.542 10.824 ( -0.690 0.000 0.233) 0.728 11.076 ( -1.064 0.000 -0.259) 1.095 11.115 ( -2.164 0.000 0.306) 2.185 11.166 ( -0.809 0.000 0.009) 0.809 11.168 ( -0.796 0.000 -0.005) 0.796 11.369 ( -0.844 0.000 0.587) 1.028 11.380 ( -0.971 0.000 -0.372) 1.040 11.424 ( -1.285 0.000 -0.130) 1.292 11.428 ( -2.215 0.000 -0.006) 2.215 11.976 ( 3.218 0.000 -1.507) 3.554 12.066 ( 3.906 0.000 3.951) 5.556 12.348 ( 1.613 0.000 -9.376) 9.514 12.391 ( 5.534 0.000 5.723) 7.961 ======================= Grid point 3 (4/52) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 3.935 0.000 -5.167) 6.495 0.883 ( 10.659 0.000 -0.421) 10.667 0.969 ( 9.779 0.000 1.362) 9.874 1.004 ( 6.009 0.000 0.350) 6.020 1.044 ( -2.337 0.000 -2.475) 3.404 1.240 ( -0.774 0.000 1.946) 2.094 1.291 ( -3.111 0.000 -0.327) 3.128 1.299 ( -2.413 0.000 3.653) 4.378 1.381 ( -2.344 0.000 0.904) 2.512 1.394 ( 2.184 0.000 3.232) 3.901 1.452 ( -3.514 0.000 -3.387) 4.880 1.458 ( -2.386 0.000 0.671) 2.479 1.497 ( -1.676 0.000 -1.075) 1.991 1.579 ( -0.182 0.000 1.567) 1.577 1.616 ( 5.674 0.000 -3.322) 6.575 1.655 ( 2.882 0.000 0.510) 2.927 1.800 ( 0.147 0.000 -2.740) 2.744 1.810 ( -1.043 0.000 3.496) 3.648 2.084 ( 1.183 0.000 -0.134) 1.190 2.109 ( 5.167 0.000 -0.384) 5.181 2.177 ( 2.226 0.000 3.421) 4.081 2.220 ( 4.032 0.000 -3.976) 5.663 2.277 ( 0.226 0.000 -0.716) 0.750 2.344 ( 0.762 0.000 1.331) 1.533 2.406 ( 0.368 0.000 -0.798) 0.879 2.424 ( -3.383 0.000 0.892) 3.498 2.679 ( 4.905 0.000 -0.321) 4.915 2.700 ( 5.985 0.000 0.480) 6.004 2.779 ( 1.548 0.000 1.350) 2.054 2.808 ( 2.640 0.000 -0.826) 2.766 2.892 ( -0.613 0.000 0.773) 0.987 2.934 ( -3.210 0.000 -1.130) 3.403 3.127 ( -1.376 0.000 -1.213) 1.834 3.154 ( -5.483 0.000 1.012) 5.576 3.320 ( 1.353 0.000 -0.344) 1.396 3.345 ( -5.875 0.000 0.128) 5.877 3.523 ( -2.890 0.000 -0.270) 2.902 3.531 ( -3.312 0.000 0.419) 3.338 3.737 ( 3.450 0.000 -0.134) 3.453 3.743 ( 2.912 0.000 0.142) 2.916 3.861 ( 1.686 0.000 -1.004) 1.962 3.918 ( 0.169 0.000 0.782) 0.800 4.050 ( 0.058 0.000 0.690) 0.692 4.087 ( -0.529 0.000 -0.608) 0.806 4.374 ( 1.277 0.000 -0.214) 1.295 4.399 ( 0.804 0.000 -0.053) 0.806 4.483 ( -4.060 0.000 0.777) 4.133 4.548 ( -5.640 0.000 -0.716) 5.685 4.977 ( 1.267 0.000 -0.042) 1.267 4.985 ( 2.038 0.000 0.026) 2.038 5.208 ( -5.323 0.000 -0.107) 5.324 5.208 ( -4.945 0.000 0.069) 4.946 5.320 ( 2.513 0.000 -0.895) 2.668 5.331 ( 1.879 0.000 1.086) 2.170 5.609 ( -3.363 0.000 0.252) 3.372 5.617 ( -3.751 0.000 -0.225) 3.758 5.988 ( -1.516 0.000 -1.718) 2.291 6.088 ( -2.512 0.000 3.013) 3.923 6.428 ( -3.603 0.000 -1.556) 3.924 6.455 ( 2.901 0.000 1.789) 3.408 6.510 ( 8.369 0.000 -1.471) 8.497 6.830 ( -3.423 0.000 -3.016) 4.562 6.963 ( -4.827 0.000 3.323) 5.860 7.113 ( -7.884 0.000 -0.877) 7.932 7.642 ( 1.840 0.000 1.071) 2.129 7.720 ( 2.508 0.000 -0.691) 2.601 7.766 ( 3.369 0.000 1.538) 3.703 7.800 ( 0.984 0.000 -1.629) 1.903 10.718 ( 0.043 0.000 -0.363) 0.366 10.726 ( 0.495 0.000 0.447) 0.667 10.794 ( -0.302 0.000 -0.059) 0.308 10.810 ( -0.714 0.000 -0.066) 0.717 11.061 ( -0.380 0.000 -0.115) 0.397 11.086 ( -1.029 0.000 0.151) 1.040 11.149 ( -0.850 0.000 0.008) 0.850 11.150 ( -0.909 0.000 -0.007) 0.909 11.361 ( -0.322 0.000 0.339) 0.467 11.362 ( -0.534 0.000 -0.321) 0.623 11.401 ( -0.828 0.000 -0.393) 0.916 11.407 ( -0.558 0.000 0.354) 0.661 12.018 ( 1.877 0.000 -1.037) 2.144 12.161 ( 2.929 0.000 5.246) 6.008 12.309 ( -0.138 0.000 -7.451) 7.452 12.489 ( 2.208 0.000 3.141) 3.839 ======================= Grid point 4 (5/52) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 0.000 0.000) 0.000 0.952 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 -0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.229 ( -0.000 0.000 0.000) 0.000 1.301 ( -0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.440 ( -0.000 0.000 -0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.726 ( -0.000 0.000 0.000) 0.000 1.729 ( -0.000 0.000 -0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 -0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 -0.000) 0.000 2.202 ( -0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.412 ( -0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.855 ( -0.000 0.000 -0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 -0.000) 0.000 2.881 ( -0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 -0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.846 ( -0.000 0.000 0.000) 0.000 3.891 ( -0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.413 ( -0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 -0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 -0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.904 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.744 ( -0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 11.057 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 11.140 ( 0.000 0.000 -0.000) 0.000 11.140 ( 0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 0.000) 0.000 11.359 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.226 ( 0.000 0.000 0.000) 0.000 12.264 ( -0.000 0.000 -0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/52) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 0.000 14.507 0.000) 14.507 0.368 ( 0.000 17.125 0.000) 17.125 0.689 ( 0.000 30.961 0.000) 30.961 0.725 ( 0.000 8.061 0.000) 8.061 0.844 ( 0.000 19.475 0.000) 19.475 1.020 ( 0.000 -5.045 0.000) 5.045 1.219 ( 0.000 1.352 0.000) 1.352 1.371 ( 0.000 3.759 0.000) 3.759 1.396 ( 0.000 -0.518 0.000) 0.518 1.446 ( 0.000 -0.784 0.000) 0.784 1.475 ( 0.000 -2.277 0.000) 2.277 1.481 ( 0.000 2.317 0.000) 2.317 1.533 ( 0.000 2.655 0.000) 2.655 1.583 ( 0.000 1.500 0.000) 1.500 1.629 ( 0.000 2.014 0.000) 2.014 1.725 ( 0.000 2.774 0.000) 2.774 1.756 ( 0.000 2.640 0.000) 2.640 1.776 ( 0.000 -4.699 0.000) 4.699 1.819 ( 0.000 -4.367 0.000) 4.367 1.824 ( 0.000 5.941 0.000) 5.941 2.084 ( 0.000 1.345 0.000) 1.345 2.212 ( 0.000 -0.181 0.000) 0.181 2.255 ( 0.000 12.904 0.000) 12.904 2.436 ( 0.000 -2.277 0.000) 2.277 2.596 ( 0.000 7.397 0.000) 7.397 2.627 ( 0.000 6.763 0.000) 6.763 2.663 ( 0.000 6.370 0.000) 6.370 2.730 ( 0.000 0.102 0.000) 0.102 2.881 ( 0.000 5.473 0.000) 5.473 3.020 ( 0.000 -2.116 0.000) 2.116 3.120 ( 0.000 -5.130 0.000) 5.130 3.170 ( 0.000 -6.338 0.000) 6.338 3.216 ( 0.000 -0.378 0.000) 0.378 3.247 ( 0.000 -0.875 0.000) 0.875 3.324 ( 0.000 -2.136 0.000) 2.136 3.370 ( 0.000 -0.815 0.000) 0.815 3.508 ( 0.000 -0.566 0.000) 0.566 3.557 ( 0.000 -0.026 0.000) 0.026 3.568 ( 0.000 -0.020 0.000) 0.020 3.619 ( 0.000 -1.722 0.000) 1.722 3.773 ( 0.000 2.636 0.000) 2.636 3.808 ( 0.000 1.563 0.000) 1.563 3.885 ( 0.000 2.170 0.000) 2.170 3.912 ( 0.000 3.314 0.000) 3.314 4.257 ( 0.000 3.415 0.000) 3.415 4.333 ( 0.000 4.254 0.000) 4.254 4.747 ( 0.000 -1.447 0.000) 1.447 4.788 ( 0.000 -2.090 0.000) 2.090 4.915 ( 0.000 8.608 0.000) 8.608 5.002 ( 0.000 3.090 0.000) 3.090 5.314 ( 0.000 7.675 0.000) 7.675 5.513 ( 0.000 -1.759 0.000) 1.759 5.538 ( 0.000 -0.989 0.000) 0.989 5.629 ( 0.000 1.058 0.000) 1.058 5.696 ( 0.000 -1.231 0.000) 1.231 5.723 ( 0.000 -1.386 0.000) 1.386 6.113 ( 0.000 -1.482 0.000) 1.482 6.141 ( 0.000 2.254 0.000) 2.254 6.159 ( 0.000 2.480 0.000) 2.480 6.453 ( 0.000 -2.449 0.000) 2.449 6.738 ( 0.000 -0.646 0.000) 0.646 6.760 ( 0.000 -3.140 0.000) 3.140 6.948 ( 0.000 -4.717 0.000) 4.717 7.113 ( 0.000 -4.595 0.000) 4.595 7.295 ( 0.000 3.175 0.000) 3.175 7.349 ( 0.000 2.481 0.000) 2.481 7.503 ( 0.000 -2.280 0.000) 2.280 7.517 ( 0.000 -2.055 0.000) 2.055 10.702 ( 0.000 -1.026 0.000) 1.026 10.712 ( 0.000 -1.263 0.000) 1.263 10.782 ( 0.000 -1.888 0.000) 1.888 10.796 ( 0.000 -1.835 0.000) 1.835 11.133 ( 0.000 1.854 0.000) 1.854 11.198 ( 0.000 1.530 0.000) 1.530 11.253 ( 0.000 4.732 0.000) 4.732 11.334 ( 0.000 0.795 0.000) 0.795 11.422 ( 0.000 3.211 0.000) 3.211 11.463 ( 0.000 2.631 0.000) 2.631 11.617 ( 0.000 2.197 0.000) 2.197 11.762 ( 0.000 0.475 0.000) 0.475 11.917 ( 0.000 -1.693 0.000) 1.693 11.956 ( 0.000 -1.683 0.000) 1.683 11.956 ( 0.000 -1.615 0.000) 1.615 11.990 ( 0.000 -0.458 0.000) 0.458 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 9.407 8.880 7.574) 14.990 0.578 ( 12.195 13.639 -1.668) 18.372 0.797 ( 3.777 13.568 1.325) 14.147 0.876 ( 17.699 13.055 -3.673) 22.298 0.924 ( 9.168 7.491 -2.348) 12.070 1.010 ( 2.683 7.036 5.324) 9.222 1.240 ( 2.995 0.835 -1.574) 3.485 1.385 ( -0.374 1.767 0.157) 1.813 1.400 ( -1.727 0.126 0.294) 1.756 1.427 ( -2.478 -1.378 -1.611) 3.261 1.450 ( 2.426 0.597 0.093) 2.500 1.496 ( -0.203 -0.973 1.565) 1.854 1.563 ( 3.567 3.512 -0.187) 5.009 1.580 ( 0.838 2.170 -1.016) 2.538 1.620 ( -0.868 2.240 0.660) 2.491 1.687 ( -2.253 3.001 -2.217) 4.358 1.740 ( -1.061 -0.038 1.555) 1.883 1.796 ( 0.876 1.101 -1.016) 1.735 1.867 ( 5.712 -1.579 0.645) 5.961 1.917 ( 6.180 -1.565 -0.394) 6.388 2.086 ( 0.077 1.119 1.131) 1.592 2.201 ( -0.155 0.010 -2.381) 2.386 2.297 ( 3.021 10.766 1.379) 11.267 2.430 ( -0.755 -2.157 -0.788) 2.418 2.500 ( -7.282 15.666 -2.555) 17.464 2.575 ( -6.255 7.879 2.111) 10.279 2.638 ( -2.432 6.117 1.295) 6.709 2.679 ( -3.625 4.216 -0.649) 5.598 2.756 ( -2.764 4.072 0.002) 4.922 2.801 ( -1.852 2.450 -0.303) 3.086 3.061 ( -6.068 -3.052 -1.036) 6.871 3.126 ( -7.028 -4.203 1.569) 8.338 3.203 ( -0.989 0.534 0.093) 1.128 3.273 ( -3.882 1.093 -0.770) 4.105 3.353 ( 4.302 -2.122 -1.879) 5.152 3.414 ( 0.816 -3.280 1.690) 3.779 3.533 ( 2.440 -5.195 0.718) 5.784 3.549 ( 2.525 -8.821 -0.198) 9.178 3.616 ( 4.615 3.767 -1.646) 6.180 3.701 ( -1.126 1.652 1.560) 2.535 3.802 ( 1.912 2.856 1.100) 3.609 3.842 ( 0.559 1.729 0.035) 1.818 3.933 ( 3.380 3.524 0.862) 4.958 4.028 ( 7.823 -5.770 -1.886) 9.902 4.304 ( 3.488 2.672 1.727) 4.721 4.348 ( 1.845 2.442 -2.016) 3.665 4.689 ( -6.157 -1.250 -0.688) 6.320 4.730 ( -3.748 -2.659 0.755) 4.657 4.969 ( 3.819 8.355 0.063) 9.187 5.006 ( 1.535 6.758 -0.393) 6.941 5.294 ( -1.366 4.305 0.614) 4.558 5.341 ( -6.677 4.713 -0.178) 8.175 5.539 ( -3.938 1.988 0.643) 4.458 5.603 ( -2.004 0.584 -1.300) 2.459 5.658 ( -2.541 -1.903 0.200) 3.181 5.675 ( -4.191 -0.331 -0.174) 4.208 6.065 ( -2.240 -2.912 -0.205) 3.680 6.091 ( -1.489 -3.435 0.546) 3.784 6.219 ( 4.410 1.029 0.049) 4.529 6.530 ( -5.572 -1.457 -6.144) 8.421 6.670 ( -3.654 -3.766 0.319) 5.257 6.866 ( 3.217 -4.602 3.085) 6.406 6.987 ( 1.740 -10.579 -1.219) 10.790 7.146 ( 1.375 -5.814 0.234) 5.980 7.392 ( 8.768 3.195 0.162) 9.333 7.477 ( 9.605 -3.216 -1.103) 10.189 7.552 ( 3.709 -1.541 0.101) 4.018 7.593 ( 8.428 -3.896 0.262) 9.288 10.698 ( -0.339 -1.224 0.120) 1.276 10.709 ( -0.293 -1.313 -0.125) 1.351 10.792 ( -0.213 -1.886 -0.141) 1.903 10.795 ( 0.397 -2.259 0.449) 2.337 11.120 ( -1.118 1.823 -0.239) 2.152 11.177 ( -2.002 1.637 0.164) 2.592 11.246 ( -0.787 4.361 -0.086) 4.433 11.302 ( -2.973 3.390 -0.132) 4.511 11.406 ( -1.211 3.180 0.079) 3.404 11.454 ( -1.058 3.937 -1.104) 4.224 11.509 ( -6.877 5.082 1.169) 8.631 11.571 ( -6.378 6.043 0.069) 8.787 11.915 ( 1.538 -1.165 -0.789) 2.085 11.956 ( 3.050 -1.731 2.046) 4.060 12.140 ( 10.016 -5.483 2.390) 11.666 12.205 ( 9.905 -7.998 -6.125) 14.127 ======================= Grid point 11 (8/52) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 12.812 4.331 5.287) 14.521 0.792 ( 10.349 4.691 -2.283) 11.590 0.840 ( 4.089 6.308 0.370) 7.527 0.988 ( 5.222 9.145 -3.713) 11.166 1.127 ( 3.183 4.922 -0.099) 5.862 1.238 ( 8.885 7.729 -0.478) 11.786 1.312 ( 3.492 1.543 0.070) 3.819 1.330 ( -0.456 -1.844 -0.731) 2.035 1.382 ( -0.726 2.480 0.561) 2.644 1.391 ( -1.067 3.691 1.765) 4.228 1.472 ( -2.340 -1.000 2.078) 3.285 1.549 ( 5.289 2.050 0.762) 5.724 1.576 ( -4.601 3.139 -1.709) 5.826 1.587 ( 2.968 0.808 -0.809) 3.181 1.650 ( 0.685 5.623 -0.443) 5.682 1.690 ( 6.208 -1.108 -0.004) 6.306 1.703 ( -3.318 3.022 0.470) 4.512 1.812 ( 1.959 1.894 -0.285) 2.740 1.990 ( 5.541 -2.174 1.246) 6.082 2.030 ( 6.016 -1.133 -2.138) 6.485 2.110 ( 1.373 -0.039 2.513) 2.864 2.177 ( -0.269 -0.287 -2.530) 2.560 2.336 ( -1.527 4.789 -0.383) 5.042 2.397 ( -0.284 2.556 1.432) 2.943 2.433 ( -0.519 8.088 -0.902) 8.154 2.505 ( -1.446 5.140 0.640) 5.378 2.621 ( 1.100 3.364 0.250) 3.548 2.655 ( 1.138 3.232 0.153) 3.430 2.761 ( 1.242 1.540 0.607) 2.069 2.793 ( 0.491 1.140 -0.612) 1.384 2.944 ( -4.970 -1.089 -0.572) 5.120 3.007 ( -5.230 -1.443 0.141) 5.427 3.196 ( -2.289 1.490 -1.028) 2.918 3.213 ( -0.036 2.561 0.548) 2.619 3.340 ( -3.071 -1.290 0.438) 3.360 3.404 ( -1.682 -1.674 -0.525) 2.431 3.573 ( 1.626 -4.711 0.286) 4.992 3.602 ( 1.887 -6.260 -0.340) 6.548 3.646 ( 0.458 2.841 -0.376) 2.902 3.670 ( -1.839 1.613 0.610) 2.521 3.847 ( 2.030 1.153 -1.041) 2.556 3.861 ( 1.431 0.049 1.599) 2.147 4.022 ( 3.546 1.785 0.978) 4.089 4.090 ( 1.145 -0.975 -1.021) 1.818 4.339 ( -0.387 0.210 -1.402) 1.470 4.374 ( 0.429 0.521 1.526) 1.669 4.564 ( -5.652 -1.277 -0.200) 5.798 4.646 ( -5.601 -2.666 -0.221) 6.207 5.044 ( 3.928 8.941 0.122) 9.766 5.058 ( 3.547 8.140 -0.279) 8.883 5.263 ( -3.320 1.259 0.809) 3.641 5.269 ( -2.143 0.834 -0.596) 2.376 5.426 ( -4.660 4.663 -0.020) 6.592 5.460 ( -7.119 5.207 0.219) 8.823 5.642 ( 0.074 -0.632 0.068) 0.640 5.677 ( 0.082 -0.048 -0.098) 0.136 6.002 ( -4.813 -4.709 -1.058) 6.816 6.042 ( -4.493 -6.200 2.028) 7.921 6.298 ( 3.134 -3.127 1.072) 4.555 6.427 ( -0.654 -1.359 -2.258) 2.715 6.561 ( -4.373 0.954 -2.260) 5.014 6.900 ( -6.275 -7.158 7.304) 11.999 6.925 ( -0.147 -4.557 -6.200) 7.696 7.146 ( -2.628 -7.557 -0.080) 8.002 7.572 ( 6.339 -0.045 0.151) 6.341 7.615 ( 6.829 -2.454 2.116) 7.559 7.627 ( 4.078 -2.226 -0.982) 4.749 7.731 ( 4.699 -3.211 -1.435) 5.870 10.693 ( -0.221 -1.770 0.374) 1.822 10.699 ( -0.560 -1.742 -0.263) 1.849 10.783 ( -0.352 -1.719 -0.321) 1.784 10.799 ( -0.289 -1.997 0.262) 2.035 11.097 ( -0.998 1.863 -0.184) 2.121 11.137 ( -2.046 1.822 0.091) 2.741 11.225 ( -1.289 3.849 0.132) 4.061 11.247 ( -2.408 4.603 -0.087) 5.196 11.391 ( -0.385 3.022 0.183) 3.052 11.413 ( -1.710 3.789 -0.181) 4.161 11.455 ( -1.444 2.968 0.100) 3.303 11.486 ( -2.914 4.820 -0.094) 5.633 11.959 ( 3.059 -1.452 -1.383) 3.658 12.044 ( 3.818 -1.975 3.695) 5.669 12.267 ( 3.847 -6.280 -7.011) 10.168 12.331 ( 5.702 -5.181 4.148) 8.749 ======================= Grid point 12 (9/52) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 5.185 4.771 -4.261) 8.235 0.962 ( 10.559 3.237 4.666) 11.989 1.022 ( 8.879 5.525 -0.127) 10.459 1.067 ( 0.403 4.408 -3.860) 5.873 1.085 ( 1.464 4.970 -0.831) 5.247 1.287 ( -0.205 -0.327 0.328) 0.506 1.333 ( -1.717 3.384 0.655) 3.851 1.351 ( -1.061 7.714 2.569) 8.200 1.366 ( -1.593 0.943 -0.948) 2.080 1.391 ( -1.197 -1.670 -0.290) 2.075 1.444 ( -0.395 0.825 -0.906) 1.288 1.489 ( -1.557 3.963 3.344) 5.414 1.567 ( -1.625 3.056 1.562) 3.798 1.612 ( -2.802 1.851 -2.037) 3.927 1.630 ( -1.046 1.216 0.549) 1.695 1.732 ( 5.006 5.708 -0.921) 7.648 1.784 ( 3.017 1.511 -0.868) 3.484 1.855 ( 0.192 2.221 0.728) 2.345 2.082 ( 2.558 -0.609 -0.242) 2.641 2.098 ( 3.743 0.006 0.117) 3.745 2.164 ( 2.421 -1.775 1.923) 3.565 2.193 ( 3.143 -1.306 -2.234) 4.071 2.276 ( -2.752 -0.391 -0.601) 2.844 2.392 ( -2.423 -0.420 0.540) 2.518 2.432 ( 0.503 6.941 0.062) 6.960 2.487 ( -0.729 5.707 0.191) 5.756 2.705 ( 5.500 1.930 -0.188) 5.832 2.726 ( 5.309 1.986 0.632) 5.704 2.788 ( 0.666 1.127 0.815) 1.542 2.803 ( 2.093 -0.022 -0.835) 2.253 2.882 ( -1.277 -0.837 0.671) 1.668 2.927 ( -3.157 -0.662 -0.814) 3.327 3.140 ( -1.718 1.194 -1.269) 2.447 3.166 ( -6.102 0.804 1.060) 6.246 3.334 ( 2.204 1.325 -0.428) 2.607 3.349 ( -4.719 0.087 0.188) 4.723 3.558 ( -2.941 2.822 -0.249) 4.083 3.562 ( -1.857 2.422 0.287) 3.065 3.713 ( 5.072 -2.135 0.393) 5.517 3.713 ( 5.140 -1.763 -0.326) 5.444 3.860 ( -0.580 -1.954 -0.715) 2.160 3.896 ( 0.330 -3.355 0.749) 3.454 4.052 ( -0.171 0.660 0.420) 0.801 4.082 ( -0.879 -0.219 -0.421) 0.999 4.318 ( -0.376 -1.190 -0.941) 1.563 4.373 ( -0.523 -0.021 0.604) 0.799 4.473 ( -4.293 -1.247 0.535) 4.503 4.529 ( -5.355 -1.872 -0.380) 5.686 5.102 ( 1.997 10.059 0.298) 10.260 5.118 ( 2.798 10.033 -0.404) 10.424 5.218 ( -1.571 2.139 0.242) 2.665 5.228 ( -1.645 2.671 -0.239) 3.147 5.384 ( 0.424 4.407 -0.808) 4.500 5.404 ( 0.129 4.902 0.810) 4.971 5.621 ( -3.061 1.142 0.430) 3.295 5.637 ( -4.046 1.797 -0.348) 4.441 5.905 ( -2.745 -6.779 -1.461) 7.458 5.976 ( -3.114 -9.112 2.166) 9.870 6.339 ( -0.030 -5.273 0.947) 5.358 6.439 ( 1.676 -3.984 -1.406) 4.545 6.543 ( 3.742 2.419 -0.744) 4.518 6.799 ( -3.216 -3.122 -0.496) 4.510 6.894 ( -3.074 -5.424 1.171) 6.344 7.052 ( -6.133 -5.319 -0.421) 8.129 7.639 ( 1.670 -0.850 0.726) 2.010 7.688 ( 2.846 -3.089 -0.671) 4.254 7.728 ( 2.650 -3.231 1.541) 4.454 7.763 ( 0.264 -3.121 -1.395) 3.429 10.687 ( -0.428 -2.324 -0.285) 2.381 10.694 ( -0.003 -2.462 0.357) 2.488 10.776 ( -0.233 -1.607 -0.134) 1.629 10.791 ( -0.421 -1.607 0.029) 1.662 11.083 ( -0.320 1.952 -0.120) 1.982 11.108 ( -0.943 1.933 0.145) 2.156 11.204 ( -0.961 3.623 0.180) 3.753 11.208 ( -1.504 3.867 -0.185) 4.153 11.392 ( 0.172 3.084 0.033) 3.089 11.395 ( -0.135 3.390 -0.040) 3.393 11.432 ( -1.031 3.043 0.086) 3.214 11.446 ( -1.409 3.887 -0.092) 4.135 12.000 ( 1.866 -1.464 -0.930) 2.547 12.135 ( 2.728 -2.387 4.749) 5.974 12.264 ( 0.837 -3.821 -6.517) 7.601 12.433 ( 2.674 -4.986 2.641) 6.244 ======================= Grid point 13 (10/52) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -0.000 5.242 0.000) 5.242 0.993 ( 0.000 4.256 0.000) 4.256 1.100 ( 0.000 4.163 0.000) 4.163 1.133 ( -0.000 11.019 0.000) 11.019 1.192 ( 0.000 3.393 0.000) 3.393 1.235 ( 0.000 -0.248 0.000) 0.248 1.261 ( -0.000 0.211 -0.000) 0.211 1.306 ( -0.000 -0.175 0.000) 0.175 1.364 ( -0.000 4.344 0.000) 4.344 1.401 ( 0.000 1.921 0.000) 1.921 1.457 ( -0.000 1.824 -0.000) 1.824 1.489 ( 0.000 4.249 0.000) 4.249 1.543 ( 0.000 4.216 0.000) 4.216 1.579 ( -0.000 0.195 0.000) 0.195 1.630 ( -0.000 -4.101 -0.000) 4.101 1.788 ( 0.000 5.166 0.000) 5.166 1.809 ( -0.000 2.986 0.000) 2.986 1.820 ( 0.000 5.249 -0.000) 5.249 2.096 ( 0.000 -0.121 0.000) 0.121 2.178 ( 0.000 -1.263 -0.000) 1.263 2.185 ( -0.000 -1.039 0.000) 1.039 2.215 ( 0.000 -2.294 0.000) 2.294 2.253 ( 0.000 -0.812 0.000) 0.812 2.349 ( -0.000 -0.965 0.000) 0.965 2.435 ( 0.000 6.353 0.000) 6.353 2.483 ( 0.000 6.024 0.000) 6.024 2.741 ( 0.000 2.828 0.000) 2.828 2.783 ( 0.000 1.978 -0.000) 1.978 2.838 ( 0.000 -2.121 0.000) 2.121 2.856 ( 0.000 0.076 0.000) 0.076 2.869 ( 0.000 -1.212 0.000) 1.212 2.880 ( -0.000 0.252 0.000) 0.252 3.079 ( 0.000 0.542 0.000) 0.542 3.148 ( -0.000 0.244 0.000) 0.244 3.250 ( 0.000 1.682 0.000) 1.682 3.361 ( 0.000 1.670 -0.000) 1.670 3.536 ( 0.000 3.548 0.000) 3.548 3.547 ( 0.000 4.267 0.000) 4.267 3.785 ( 0.000 -0.791 -0.000) 0.791 3.799 ( 0.000 -0.282 0.000) 0.282 3.821 ( -0.000 -5.190 0.000) 5.190 3.875 ( -0.000 -4.813 0.000) 4.813 4.052 ( 0.000 0.810 -0.000) 0.810 4.075 ( 0.000 0.088 0.000) 0.088 4.315 ( 0.000 -2.376 0.000) 2.376 4.370 ( 0.000 -0.329 0.000) 0.329 4.425 ( 0.000 -1.680 0.000) 1.680 4.472 ( 0.000 -1.311 -0.000) 1.311 5.146 ( 0.000 11.893 0.000) 11.893 5.160 ( 0.000 11.350 0.000) 11.350 5.174 ( -0.000 3.213 0.000) 3.213 5.196 ( 0.000 3.819 -0.000) 3.819 5.406 ( 0.000 3.931 0.000) 3.931 5.431 ( -0.000 4.652 0.000) 4.652 5.568 ( 0.000 0.463 0.000) 0.463 5.574 ( 0.000 0.558 0.000) 0.558 5.883 ( -0.000 -7.616 0.000) 7.616 5.956 ( 0.000 -9.546 0.000) 9.546 6.331 ( 0.000 -4.485 0.000) 4.485 6.455 ( 0.000 -4.311 0.000) 4.311 6.603 ( 0.000 -0.265 0.000) 0.265 6.782 ( 0.000 -2.210 0.000) 2.210 6.853 ( -0.000 -4.235 0.000) 4.235 6.969 ( -0.000 -3.707 0.000) 3.707 7.657 ( 0.000 -0.946 0.000) 0.946 7.722 ( -0.000 -2.203 0.000) 2.203 7.743 ( 0.000 -4.515 0.000) 4.515 7.758 ( 0.000 -3.848 0.000) 3.848 10.682 ( 0.000 -2.596 0.000) 2.596 10.696 ( 0.000 -2.846 0.000) 2.846 10.773 ( 0.000 -1.569 0.000) 1.569 10.787 ( 0.000 -1.401 0.000) 1.401 11.080 ( 0.000 1.906 0.000) 1.906 11.101 ( 0.000 2.098 0.000) 2.098 11.190 ( 0.000 3.250 0.000) 3.250 11.197 ( 0.000 3.874 0.000) 3.874 11.392 ( 0.000 3.336 0.000) 3.336 11.399 ( -0.000 3.571 0.000) 3.571 11.420 ( 0.000 3.110 0.000) 3.110 11.432 ( 0.000 3.176 0.000) 3.176 12.016 ( 0.000 -1.415 0.000) 1.415 12.189 ( 0.000 -3.233 0.000) 3.233 12.239 ( -0.000 -2.324 -0.000) 2.324 12.466 ( 0.000 -4.758 0.000) 4.758 ======================= Grid point 18 (11/52) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 15.089 0.000) 15.089 0.719 ( 0.000 15.807 0.000) 15.807 0.931 ( 0.000 10.640 0.000) 10.640 1.001 ( 0.000 3.106 0.000) 3.106 1.160 ( 0.000 11.166 0.000) 11.166 1.247 ( 0.000 7.076 0.000) 7.076 1.277 ( 0.000 12.253 0.000) 12.253 1.369 ( 0.000 -4.116 0.000) 4.116 1.407 ( 0.000 0.785 0.000) 0.785 1.415 ( 0.000 1.351 0.000) 1.351 1.463 ( 0.000 0.201 0.000) 0.201 1.489 ( 0.000 -0.333 0.000) 0.333 1.580 ( 0.000 0.653 0.000) 0.653 1.600 ( 0.000 0.072 0.000) 0.072 1.635 ( 0.000 -6.198 0.000) 6.198 1.701 ( 0.000 -5.664 0.000) 5.664 1.735 ( 0.000 6.082 0.000) 6.082 1.782 ( 0.000 -0.796 0.000) 0.796 1.803 ( 0.000 3.238 0.000) 3.238 1.917 ( 0.000 1.912 0.000) 1.912 2.118 ( 0.000 2.279 0.000) 2.279 2.224 ( 0.000 1.233 0.000) 1.233 2.372 ( 0.000 -0.908 0.000) 0.908 2.377 ( 0.000 -3.167 0.000) 3.167 2.734 ( 0.000 4.070 0.000) 4.070 2.771 ( 0.000 7.623 0.000) 7.623 2.787 ( 0.000 7.373 0.000) 7.373 2.802 ( 0.000 3.410 0.000) 3.410 2.926 ( 0.000 0.150 0.000) 0.150 2.986 ( 0.000 -1.129 0.000) 1.129 3.002 ( 0.000 -4.919 0.000) 4.919 3.030 ( 0.000 -5.851 0.000) 5.851 3.213 ( 0.000 -0.006 0.000) 0.006 3.263 ( 0.000 -3.417 0.000) 3.417 3.264 ( 0.000 -1.762 0.000) 1.762 3.351 ( 0.000 -0.966 0.000) 0.966 3.494 ( 0.000 0.929 0.000) 0.929 3.563 ( 0.000 0.167 0.000) 0.167 3.571 ( 0.000 0.274 0.000) 0.274 3.597 ( 0.000 -1.150 0.000) 1.150 3.861 ( 0.000 6.569 0.000) 6.569 3.894 ( 0.000 5.709 0.000) 5.709 3.941 ( 0.000 3.116 0.000) 3.116 3.985 ( 0.000 3.611 0.000) 3.611 4.334 ( 0.000 3.887 0.000) 3.887 4.443 ( 0.000 5.284 0.000) 5.284 4.680 ( 0.000 -5.008 0.000) 5.008 4.724 ( 0.000 -3.768 0.000) 3.768 5.090 ( 0.000 7.769 0.000) 7.769 5.101 ( 0.000 5.957 0.000) 5.957 5.457 ( 0.000 -3.642 0.000) 3.642 5.491 ( 0.000 -3.721 0.000) 3.721 5.496 ( 0.000 7.161 0.000) 7.161 5.647 ( 0.000 0.638 0.000) 0.638 5.677 ( 0.000 -0.334 0.000) 0.334 5.687 ( 0.000 -1.967 0.000) 1.967 6.126 ( 0.000 3.413 0.000) 3.413 6.206 ( 0.000 3.555 0.000) 3.555 6.226 ( 0.000 3.653 0.000) 3.653 6.405 ( 0.000 -1.738 0.000) 1.738 6.702 ( 0.000 -1.792 0.000) 1.792 6.726 ( 0.000 -0.417 0.000) 0.417 6.843 ( 0.000 -4.749 0.000) 4.749 6.991 ( 0.000 -6.725 0.000) 6.725 7.341 ( 0.000 0.916 0.000) 0.916 7.380 ( 0.000 0.283 0.000) 0.283 7.441 ( 0.000 -3.350 0.000) 3.350 7.453 ( 0.000 -3.660 0.000) 3.660 10.677 ( 0.000 -1.099 0.000) 1.099 10.684 ( 0.000 -1.196 0.000) 1.196 10.732 ( 0.000 -2.587 0.000) 2.587 10.745 ( 0.000 -2.744 0.000) 2.744 11.186 ( 0.000 2.925 0.000) 2.925 11.240 ( 0.000 2.301 0.000) 2.301 11.302 ( 0.000 0.342 0.000) 0.342 11.348 ( 0.000 0.064 0.000) 0.064 11.541 ( 0.000 4.429 0.000) 4.429 11.544 ( 0.000 6.901 0.000) 6.901 11.664 ( 0.000 1.985 0.000) 1.985 11.766 ( 0.000 -0.479 0.000) 0.479 11.870 ( 0.000 -2.558 0.000) 2.558 11.907 ( 0.000 -2.500 0.000) 2.500 11.930 ( 0.000 -0.787 0.000) 0.787 11.974 ( 0.000 -0.967 0.000) 0.967 ======================= Grid point 19 (12/52) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 3.813 12.390 3.878) 13.531 0.830 ( 7.170 11.138 -3.637) 13.737 0.960 ( -0.439 5.629 -1.389) 5.814 1.044 ( 8.028 8.668 2.202) 12.018 1.212 ( 4.084 11.221 2.311) 12.162 1.273 ( 3.685 2.329 -3.494) 5.586 1.320 ( 2.681 8.729 -0.356) 9.139 1.362 ( 0.525 -0.752 -1.027) 1.377 1.409 ( 0.014 0.525 1.191) 1.301 1.448 ( 1.076 2.571 1.789) 3.312 1.470 ( 2.185 0.024 0.333) 2.210 1.487 ( 0.776 2.263 1.355) 2.750 1.563 ( -0.523 -0.123 -1.055) 1.184 1.605 ( 0.462 0.102 0.657) 0.810 1.672 ( 1.741 -3.429 0.928) 3.956 1.702 ( 0.994 -3.341 -1.867) 3.954 1.766 ( 3.761 5.960 -0.909) 7.106 1.802 ( 0.532 2.383 -0.266) 2.456 1.836 ( 5.156 -3.049 -0.764) 6.039 1.927 ( 0.896 1.228 1.027) 1.835 2.118 ( 0.077 2.414 0.300) 2.434 2.212 ( -0.818 1.140 -1.134) 1.804 2.374 ( -0.221 -2.927 -0.780) 3.037 2.386 ( 0.804 -1.288 0.953) 1.793 2.698 ( -5.149 4.301 -0.815) 6.759 2.725 ( -4.886 4.264 0.521) 6.506 2.743 ( -2.721 6.490 1.499) 7.195 2.784 ( -1.238 4.900 -0.724) 5.105 2.855 ( -4.462 3.356 -0.860) 5.649 2.867 ( -4.079 3.174 0.724) 5.218 2.979 ( -3.275 -3.942 -0.874) 5.199 3.027 ( -2.894 -4.167 0.999) 5.171 3.223 ( 1.034 0.484 -0.535) 1.261 3.270 ( 0.545 -3.180 0.093) 3.228 3.326 ( 1.418 -0.350 1.406) 2.027 3.364 ( -0.568 -5.472 -1.479) 5.697 3.437 ( -3.763 1.246 0.136) 3.967 3.454 ( 1.707 1.185 0.381) 2.113 3.661 ( 5.106 -0.523 -1.131) 5.256 3.745 ( 3.985 -1.189 1.314) 4.361 3.865 ( 0.513 5.593 -0.407) 5.631 3.899 ( -0.165 5.842 0.447) 5.861 3.992 ( 5.334 1.362 -0.889) 5.576 4.015 ( 3.004 3.619 0.613) 4.743 4.370 ( 2.398 3.400 1.949) 4.594 4.431 ( -0.598 4.467 -1.852) 4.873 4.631 ( -4.965 -3.995 0.270) 6.378 4.662 ( -4.800 -3.464 -0.152) 5.921 5.135 ( 3.384 6.686 0.322) 7.500 5.140 ( 3.473 6.077 -0.486) 7.016 5.413 ( -3.599 4.723 -0.009) 5.938 5.422 ( -3.614 1.410 0.394) 3.899 5.557 ( -0.753 -2.351 -0.774) 2.588 5.567 ( -0.706 0.529 0.818) 1.203 5.641 ( -3.485 0.671 -0.282) 3.561 5.704 ( -1.398 1.476 -0.052) 2.034 6.031 ( -7.878 0.657 -0.058) 7.905 6.043 ( -6.287 -0.209 0.470) 6.308 6.249 ( -0.673 0.890 0.759) 1.349 6.454 ( -2.702 -5.616 -2.731) 6.804 6.626 ( -3.100 0.385 0.584) 3.178 6.775 ( 0.090 -3.477 1.614) 3.834 6.827 ( 0.091 -5.269 -1.424) 5.459 7.001 ( -0.386 -7.785 0.258) 7.799 7.424 ( 6.659 -0.632 1.951) 6.967 7.433 ( 5.824 -0.737 -1.914) 6.174 7.506 ( 4.844 -2.585 0.199) 5.494 7.526 ( 7.239 -2.926 -0.296) 7.814 10.671 ( -0.598 -1.086 0.074) 1.242 10.678 ( -0.539 -1.262 -0.054) 1.373 10.739 ( 0.328 -2.746 0.390) 2.793 10.742 ( -0.119 -2.717 -0.307) 2.737 11.171 ( -1.297 2.812 -0.024) 3.097 11.221 ( -1.702 2.383 -0.056) 2.929 11.290 ( -1.192 0.170 0.080) 1.206 11.331 ( -1.631 0.091 -0.028) 1.634 11.526 ( -1.001 6.507 -0.218) 6.587 11.549 ( -0.163 5.014 0.173) 5.020 11.606 ( -4.350 4.217 0.249) 6.064 11.694 ( -5.406 4.195 -0.239) 6.847 11.884 ( 1.312 -1.466 -0.766) 2.112 11.910 ( 2.831 -2.201 1.239) 3.794 12.019 ( 7.477 -4.952 0.021) 8.969 12.081 ( 6.549 -4.744 -0.770) 8.123 ======================= Grid point 20 (13/52) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 9.413 7.462 4.584) 12.857 0.889 ( 5.132 6.595 -4.487) 9.485 1.001 ( 3.211 6.873 0.775) 7.626 1.155 ( 2.701 4.739 -1.003) 5.546 1.260 ( -1.460 6.934 -1.719) 7.291 1.276 ( -0.265 -0.529 0.650) 0.879 1.365 ( 1.078 1.288 -1.247) 2.092 1.399 ( 0.578 3.368 0.764) 3.501 1.421 ( 3.961 2.986 -0.778) 5.021 1.449 ( -0.886 0.144 1.235) 1.527 1.498 ( -0.689 2.185 3.570) 4.241 1.576 ( 2.999 -1.472 0.273) 3.352 1.612 ( 0.276 0.215 -0.197) 0.401 1.621 ( 1.687 0.585 -3.176) 3.643 1.711 ( 4.251 1.797 -0.195) 4.620 1.733 ( 6.112 6.827 2.500) 9.498 1.786 ( -0.517 4.137 0.826) 4.251 1.863 ( 3.461 2.520 -1.843) 4.662 1.952 ( 5.962 -2.465 0.915) 6.516 1.988 ( 6.269 -1.462 -1.147) 6.539 2.129 ( 0.716 2.257 0.583) 2.439 2.185 ( -1.017 0.983 -0.964) 1.712 2.338 ( -2.858 -1.588 -1.381) 3.550 2.405 ( -0.389 -1.418 1.714) 2.258 2.597 ( -3.060 4.287 -0.341) 5.278 2.639 ( -2.068 4.545 0.115) 4.995 2.717 ( -1.203 6.503 1.344) 6.748 2.755 ( -0.779 6.239 -0.798) 6.338 2.811 ( -0.189 2.349 -0.288) 2.374 2.839 ( -0.148 2.268 0.031) 2.273 2.911 ( -3.184 -1.983 -0.242) 3.759 2.966 ( -3.542 -2.378 0.325) 4.278 3.225 ( -2.364 0.478 -1.474) 2.827 3.260 ( 0.784 -0.090 0.612) 0.999 3.304 ( -3.375 -2.482 0.226) 4.195 3.343 ( 0.187 -4.397 0.749) 4.465 3.455 ( 3.279 -2.088 -0.775) 3.964 3.493 ( 1.915 -0.923 0.484) 2.180 3.718 ( 1.597 -0.147 -0.332) 1.638 3.772 ( -0.610 1.748 0.464) 1.909 3.859 ( -1.415 4.073 -0.312) 4.323 3.878 ( -2.355 5.226 0.348) 5.743 4.066 ( 1.990 1.825 0.454) 2.738 4.083 ( 2.400 0.991 -0.556) 2.656 4.398 ( -0.664 4.279 -1.514) 4.587 4.423 ( 0.609 3.235 1.959) 3.830 4.519 ( -5.479 -2.555 -0.524) 6.068 4.572 ( -5.002 -3.672 0.066) 6.206 5.189 ( 2.453 4.216 -0.031) 4.878 5.204 ( 3.231 4.450 -0.060) 5.500 5.364 ( -0.977 7.629 -0.434) 7.703 5.391 ( -0.163 7.727 0.549) 7.748 5.488 ( -3.290 1.011 -0.602) 3.494 5.512 ( -4.632 -0.007 0.525) 4.662 5.651 ( 1.276 1.552 0.886) 2.196 5.677 ( 1.096 1.250 -0.772) 1.833 5.911 ( -6.433 -3.208 0.676) 7.220 5.934 ( -6.450 -2.497 -0.573) 6.940 6.217 ( -1.943 -4.863 1.554) 5.462 6.344 ( -3.890 -6.385 -2.452) 7.868 6.589 ( -1.147 1.813 -0.493) 2.202 6.742 ( -3.894 -6.050 4.380) 8.424 6.814 ( -0.540 -5.487 -4.053) 6.843 6.972 ( -2.650 -8.485 0.636) 8.912 7.530 ( 4.484 -2.464 -0.514) 5.142 7.557 ( 4.704 -2.612 0.654) 5.420 7.594 ( 4.177 -1.685 0.367) 4.519 7.651 ( 4.422 -4.114 -0.520) 6.062 10.658 ( -0.707 -1.202 0.226) 1.412 10.663 ( -0.963 -1.336 -0.160) 1.655 10.735 ( -0.201 -2.599 -0.309) 2.625 10.746 ( -0.016 -2.852 0.271) 2.865 11.147 ( -1.042 2.680 -0.001) 2.876 11.184 ( -1.834 2.491 -0.149) 3.097 11.266 ( -1.324 0.136 0.424) 1.397 11.293 ( -2.025 0.279 -0.272) 2.062 11.504 ( -1.045 6.350 -0.020) 6.436 11.534 ( -2.465 5.042 0.344) 5.623 11.543 ( -1.024 6.249 -0.257) 6.337 11.608 ( -3.318 5.770 -0.109) 6.657 11.925 ( 2.983 -1.290 -1.031) 3.410 11.990 ( 3.750 -2.671 2.696) 5.335 12.132 ( 4.963 -5.844 -4.059) 8.675 12.199 ( 5.518 -6.694 2.298) 8.974 ======================= Grid point 21 (14/52) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 6.939 5.368 -0.921) 8.821 1.052 ( 9.345 6.386 3.289) 11.787 1.082 ( 6.324 1.034 -1.104) 6.502 1.140 ( -0.927 2.494 -0.891) 2.806 1.238 ( 1.110 5.433 -2.833) 6.227 1.296 ( 0.568 1.679 1.621) 2.402 1.338 ( -2.947 -1.147 -2.605) 4.098 1.391 ( -0.192 2.786 1.559) 3.199 1.450 ( 1.020 2.103 0.107) 2.340 1.481 ( -0.922 4.233 0.737) 4.395 1.503 ( -1.398 3.325 -2.293) 4.275 1.542 ( -0.663 1.474 3.718) 4.054 1.593 ( -1.170 0.863 -0.379) 1.502 1.610 ( -2.481 -0.609 -0.781) 2.671 1.702 ( -3.917 3.078 1.078) 5.097 1.834 ( 2.601 1.716 2.995) 4.322 1.846 ( 1.479 3.497 -1.878) 4.236 1.928 ( 4.567 5.923 -1.182) 7.572 2.049 ( 3.529 -2.391 0.071) 4.263 2.107 ( 5.115 -0.662 -0.014) 5.158 2.140 ( 0.735 1.910 0.489) 2.104 2.187 ( 1.661 0.255 -0.747) 1.839 2.272 ( -2.721 0.332 -0.575) 2.801 2.372 ( -3.239 -1.181 0.069) 3.449 2.595 ( 0.804 6.605 1.230) 6.767 2.638 ( 0.303 7.005 -0.663) 7.043 2.754 ( 4.736 3.486 1.094) 5.982 2.771 ( 3.616 2.509 -1.127) 4.543 2.819 ( 0.801 0.872 0.124) 1.190 2.831 ( -0.643 2.362 -0.315) 2.468 2.861 ( -1.621 -0.704 0.563) 1.854 2.905 ( -2.706 -1.325 -0.274) 3.025 3.168 ( -2.132 0.681 -1.369) 2.624 3.175 ( -6.866 0.141 0.755) 6.909 3.319 ( -0.792 -3.890 0.091) 3.970 3.351 ( 1.418 -1.653 0.306) 2.199 3.525 ( 4.824 -4.365 -0.910) 6.569 3.557 ( 4.229 -2.279 0.799) 4.870 3.721 ( -2.153 -2.800 -0.305) 3.545 3.736 ( -3.266 -0.647 0.392) 3.353 3.820 ( -1.040 6.028 -0.114) 6.118 3.831 ( -1.530 4.324 0.131) 4.589 4.081 ( -0.206 1.836 0.392) 1.889 4.093 ( -0.139 1.326 -0.508) 1.427 4.377 ( -0.710 4.186 -0.992) 4.360 4.419 ( -2.619 -0.313 -0.555) 2.696 4.437 ( -2.100 0.586 0.905) 2.360 4.481 ( -4.026 -1.654 0.624) 4.397 5.238 ( 2.232 3.471 -0.299) 4.137 5.259 ( 2.238 2.594 0.255) 3.435 5.368 ( 1.488 9.490 0.253) 9.609 5.396 ( 1.531 7.428 -0.211) 7.587 5.451 ( -0.943 3.147 -0.526) 3.327 5.481 ( 0.754 2.811 0.227) 2.920 5.655 ( -1.494 1.714 -0.309) 2.295 5.673 ( -4.198 1.134 -0.066) 4.349 5.777 ( -6.314 -3.030 0.351) 7.012 5.817 ( -2.926 -2.417 0.465) 3.824 6.213 ( -0.029 -6.799 0.884) 6.856 6.309 ( 0.519 -8.101 -1.102) 8.192 6.585 ( 1.250 1.769 -0.777) 2.301 6.706 ( -1.467 -4.714 2.585) 5.573 6.776 ( -1.279 -5.390 -1.987) 5.886 6.910 ( -3.900 -7.556 0.173) 8.505 7.591 ( 2.188 -3.297 0.143) 3.960 7.611 ( 1.738 -3.428 -0.435) 3.868 7.650 ( 0.683 -3.783 1.247) 4.042 7.678 ( -0.484 -4.664 -0.893) 4.773 10.644 ( -0.735 -1.317 -0.164) 1.517 10.648 ( -0.463 -1.440 0.199) 1.526 10.730 ( -0.160 -2.561 -0.160) 2.571 10.744 ( -0.200 -2.763 0.104) 2.772 11.133 ( -0.391 2.572 -0.215) 2.611 11.158 ( -0.753 2.566 0.289) 2.690 11.245 ( -1.212 0.251 -0.159) 1.248 11.258 ( -1.197 0.666 0.092) 1.373 11.490 ( -0.474 5.444 0.137) 5.466 11.501 ( -0.841 5.605 -0.062) 5.668 11.528 ( -0.583 5.697 -0.101) 5.728 11.562 ( -1.593 6.131 0.017) 6.335 11.970 ( 2.025 -0.796 -0.634) 2.266 12.071 ( 2.488 -3.144 3.115) 5.077 12.170 ( 2.107 -4.623 -4.231) 6.611 12.299 ( 3.171 -7.230 1.742) 8.085 ======================= Grid point 22 (15/52) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 6.290 -0.000) 6.290 1.091 ( -0.000 3.187 0.000) 3.187 1.204 ( 0.000 -2.250 0.000) 2.250 1.222 ( -0.000 6.416 -0.000) 6.416 1.223 ( -0.000 -0.945 -0.000) 0.945 1.286 ( 0.000 4.504 0.000) 4.504 1.297 ( -0.000 0.439 0.000) 0.439 1.364 ( 0.000 8.604 0.000) 8.604 1.449 ( -0.000 2.144 0.000) 2.144 1.467 ( -0.000 3.178 0.000) 3.178 1.502 ( 0.000 -1.987 0.000) 1.987 1.531 ( -0.000 5.056 0.000) 5.056 1.563 ( -0.000 -2.220 0.000) 2.220 1.622 ( 0.000 3.934 0.000) 3.934 1.633 ( -0.000 2.820 -0.000) 2.820 1.837 ( 0.000 -0.766 0.000) 0.766 1.881 ( 0.000 3.405 0.000) 3.405 1.962 ( 0.000 6.916 0.000) 6.916 2.074 ( 0.000 -2.208 0.000) 2.208 2.159 ( 0.000 -0.248 0.000) 0.248 2.173 ( 0.000 -0.090 0.000) 0.090 2.199 ( -0.000 0.643 0.000) 0.643 2.247 ( 0.000 0.982 0.000) 0.982 2.326 ( 0.000 -0.888 0.000) 0.888 2.601 ( 0.000 8.012 0.000) 8.012 2.637 ( 0.000 6.897 0.000) 6.897 2.809 ( 0.000 0.505 0.000) 0.505 2.812 ( -0.000 2.250 0.000) 2.250 2.828 ( -0.000 0.157 0.000) 0.157 2.848 ( 0.000 -0.004 -0.000) 0.004 2.861 ( 0.000 1.876 -0.000) 1.876 2.880 ( 0.000 0.383 0.000) 0.383 3.085 ( 0.000 -0.148 0.000) 0.148 3.145 ( -0.000 -0.619 0.000) 0.619 3.281 ( 0.000 0.216 0.000) 0.216 3.375 ( 0.000 -2.313 -0.000) 2.313 3.619 ( -0.000 1.976 0.000) 1.976 3.623 ( 0.000 -9.493 -0.000) 9.493 3.647 ( 0.000 2.454 0.000) 2.454 3.674 ( -0.000 -10.163 0.000) 10.163 3.819 ( 0.000 6.318 0.000) 6.318 3.833 ( 0.000 5.929 0.000) 5.929 4.079 ( 0.000 1.303 -0.000) 1.303 4.089 ( 0.000 1.249 0.000) 1.249 4.370 ( -0.000 4.578 0.000) 4.578 4.371 ( 0.000 -3.086 0.000) 3.086 4.428 ( -0.000 -2.706 0.000) 2.706 4.440 ( 0.000 4.287 -0.000) 4.287 5.262 ( 0.000 4.328 0.000) 4.328 5.282 ( 0.000 3.655 -0.000) 3.655 5.392 ( 0.000 5.610 0.000) 5.610 5.431 ( -0.000 7.457 0.000) 7.457 5.440 ( -0.000 3.293 0.000) 3.293 5.512 ( -0.000 5.172 0.000) 5.172 5.589 ( 0.000 1.583 0.000) 1.583 5.595 ( 0.000 1.540 0.000) 1.540 5.731 ( 0.000 -3.372 0.000) 3.372 5.808 ( -0.000 -1.404 -0.000) 1.404 6.214 ( 0.000 -6.482 0.000) 6.482 6.314 ( 0.000 -8.652 0.000) 8.652 6.605 ( 0.000 0.526 0.000) 0.526 6.716 ( 0.000 -3.613 0.000) 3.613 6.749 ( -0.000 -5.011 0.000) 5.011 6.859 ( -0.000 -6.259 0.000) 6.259 7.615 ( 0.000 -2.822 0.000) 2.822 7.634 ( -0.000 -5.112 0.000) 5.112 7.649 ( 0.000 -4.389 0.000) 4.389 7.659 ( -0.000 -4.905 0.000) 4.905 10.636 ( 0.000 -1.296 0.000) 1.296 10.644 ( 0.000 -1.565 0.000) 1.565 10.728 ( 0.000 -2.555 0.000) 2.555 10.742 ( 0.000 -2.716 0.000) 2.716 11.128 ( 0.000 2.455 0.000) 2.455 11.155 ( 0.000 2.744 0.000) 2.744 11.227 ( 0.000 0.245 0.000) 0.245 11.249 ( 0.000 0.832 0.000) 0.832 11.486 ( 0.000 5.072 0.000) 5.072 11.495 ( -0.000 5.061 -0.000) 5.061 11.522 ( -0.000 5.771 0.000) 5.771 11.546 ( 0.000 6.437 0.000) 6.437 11.988 ( 0.000 -0.543 -0.000) 0.543 12.109 ( -0.000 -3.689 0.000) 3.689 12.173 ( 0.000 -3.623 -0.000) 3.623 12.335 ( 0.000 -7.249 0.000) 7.249 ======================= Grid point 27 (16/52) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 14.071 0.000) 14.071 1.028 ( 0.000 12.996 0.000) 12.996 1.116 ( 0.000 7.005 0.000) 7.005 1.158 ( 0.000 10.089 0.000) 10.089 1.182 ( 0.000 -8.726 0.000) 8.726 1.231 ( 0.000 -4.916 0.000) 4.916 1.259 ( 0.000 -5.763 0.000) 5.763 1.339 ( 0.000 -6.395 0.000) 6.395 1.426 ( 0.000 -0.198 0.000) 0.198 1.428 ( 0.000 -0.329 0.000) 0.329 1.494 ( 0.000 1.283 0.000) 1.283 1.533 ( 0.000 3.911 0.000) 3.911 1.539 ( 0.000 -2.495 0.000) 2.495 1.582 ( 0.000 -0.540 0.000) 0.540 1.631 ( 0.000 0.372 0.000) 0.372 1.709 ( 0.000 -4.994 0.000) 4.994 1.713 ( 0.000 8.720 0.000) 8.720 1.820 ( 0.000 0.148 0.000) 0.148 1.863 ( 0.000 2.166 0.000) 2.166 1.903 ( 0.000 -2.250 0.000) 2.250 2.191 ( 0.000 4.372 0.000) 4.372 2.249 ( 0.000 0.525 0.000) 0.525 2.305 ( 0.000 -3.217 0.000) 3.217 2.311 ( 0.000 -2.880 0.000) 2.880 2.833 ( 0.000 3.450 0.000) 3.450 2.864 ( 0.000 3.071 0.000) 3.071 2.867 ( 0.000 0.601 0.000) 0.601 2.906 ( 0.000 3.449 0.000) 3.449 2.926 ( 0.000 -2.844 0.000) 2.844 2.940 ( 0.000 0.574 0.000) 0.574 2.967 ( 0.000 0.644 0.000) 0.644 2.972 ( 0.000 -0.052 0.000) 0.052 3.188 ( 0.000 -2.448 0.000) 2.448 3.196 ( 0.000 -3.112 0.000) 3.112 3.227 ( 0.000 1.196 0.000) 1.196 3.283 ( 0.000 -3.869 0.000) 3.869 3.536 ( 0.000 1.720 0.000) 1.720 3.558 ( 0.000 -0.544 0.000) 0.544 3.571 ( 0.000 -0.275 0.000) 0.275 3.573 ( 0.000 -0.692 0.000) 0.692 3.991 ( 0.000 4.065 0.000) 4.065 4.006 ( 0.000 2.197 0.000) 2.197 4.016 ( 0.000 4.481 0.000) 4.481 4.047 ( 0.000 1.392 0.000) 1.392 4.427 ( 0.000 5.091 0.000) 5.091 4.543 ( 0.000 4.280 0.000) 4.280 4.552 ( 0.000 -6.479 0.000) 6.479 4.634 ( 0.000 -4.451 0.000) 4.451 5.236 ( 0.000 6.427 0.000) 6.427 5.250 ( 0.000 7.145 0.000) 7.145 5.361 ( 0.000 -5.271 0.000) 5.271 5.387 ( 0.000 -5.783 0.000) 5.783 5.586 ( 0.000 2.431 0.000) 2.431 5.638 ( 0.000 -2.551 0.000) 2.551 5.661 ( 0.000 0.720 0.000) 0.720 5.673 ( 0.000 -0.313 0.000) 0.313 6.227 ( 0.000 4.294 0.000) 4.294 6.262 ( 0.000 0.985 0.000) 0.985 6.310 ( 0.000 3.918 0.000) 3.918 6.373 ( 0.000 -1.886 0.000) 1.886 6.712 ( 0.000 3.345 0.000) 3.345 6.726 ( 0.000 0.617 0.000) 0.617 6.761 ( 0.000 -2.793 0.000) 2.793 6.837 ( 0.000 -7.401 0.000) 7.401 7.347 ( 0.000 0.199 0.000) 0.199 7.373 ( 0.000 -2.518 0.000) 2.518 7.375 ( 0.000 -0.218 0.000) 0.218 7.389 ( 0.000 -1.861 0.000) 1.861 10.664 ( 0.000 0.083 0.000) 0.083 10.671 ( 0.000 0.128 0.000) 0.128 10.684 ( 0.000 -1.743 0.000) 1.743 10.693 ( 0.000 -1.915 0.000) 1.915 11.247 ( 0.000 2.597 0.000) 2.597 11.290 ( 0.000 -1.375 0.000) 1.375 11.291 ( 0.000 2.407 0.000) 2.407 11.333 ( 0.000 -1.414 0.000) 1.414 11.634 ( 0.000 3.825 0.000) 3.825 11.658 ( 0.000 2.734 0.000) 2.734 11.700 ( 0.000 1.430 0.000) 1.430 11.736 ( 0.000 -2.137 0.000) 2.137 11.827 ( 0.000 -0.737 0.000) 0.737 11.853 ( 0.000 -2.451 0.000) 2.451 11.931 ( 0.000 0.729 0.000) 0.729 11.952 ( 0.000 -1.104 0.000) 1.104 ======================= Grid point 28 (17/52) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.566 12.513 2.269) 12.730 1.047 ( 0.226 8.398 -2.352) 8.724 1.091 ( 0.691 4.092 0.226) 4.156 1.167 ( 1.207 -1.907 0.951) 2.449 1.271 ( 2.297 1.542 1.240) 3.032 1.294 ( 5.156 -2.150 -2.238) 6.018 1.327 ( 7.068 0.458 -0.250) 7.087 1.355 ( 0.293 -3.121 -0.331) 3.153 1.433 ( 2.482 -1.355 0.009) 2.828 1.445 ( 1.952 0.066 0.190) 1.962 1.507 ( -0.152 -0.151 1.497) 1.512 1.525 ( 1.243 3.085 -0.781) 3.416 1.562 ( 0.342 -1.378 -0.206) 1.435 1.591 ( 3.621 0.130 -1.680) 3.994 1.625 ( 0.119 -0.250 1.080) 1.115 1.726 ( 2.618 -4.599 0.937) 5.375 1.769 ( 5.144 6.487 0.187) 8.281 1.851 ( 3.212 1.094 -0.507) 3.431 1.863 ( 0.697 2.355 -1.146) 2.710 1.911 ( 0.718 -2.624 0.891) 2.862 2.192 ( 0.210 4.111 -0.284) 4.126 2.239 ( -1.044 0.782 0.100) 1.309 2.310 ( 0.714 -2.641 -0.731) 2.832 2.322 ( 0.741 -3.123 1.206) 3.429 2.767 ( -5.394 2.851 -0.203) 6.105 2.789 ( -5.498 2.254 -0.936) 6.015 2.832 ( -3.217 0.208 1.648) 3.621 2.856 ( -4.333 -0.371 -0.524) 4.380 2.892 ( -1.611 1.581 -1.492) 2.706 2.912 ( -2.667 1.000 -0.621) 2.915 2.936 ( -1.764 1.161 0.898) 2.295 2.972 ( -1.671 -1.315 0.721) 2.245 3.209 ( 0.933 -1.165 1.603) 2.190 3.236 ( 0.617 0.849 -1.098) 1.519 3.245 ( 2.158 -3.802 0.946) 4.473 3.282 ( -0.351 -3.145 -0.835) 3.273 3.512 ( -0.428 4.903 -0.379) 4.936 3.548 ( 0.788 5.028 0.265) 5.096 3.612 ( 2.870 -3.627 -0.551) 4.658 3.662 ( 3.664 -5.029 0.602) 6.251 4.006 ( 1.552 4.722 -0.304) 4.980 4.029 ( 1.458 4.517 -0.255) 4.754 4.034 ( 2.601 2.159 0.274) 3.392 4.073 ( 2.283 1.080 0.245) 2.537 4.443 ( 0.878 3.582 1.856) 4.129 4.507 ( -2.376 1.144 -1.310) 2.945 4.543 ( -1.606 -2.364 0.681) 2.938 4.589 ( -3.780 -3.337 -1.235) 5.191 5.261 ( 1.670 5.441 0.211) 5.695 5.268 ( 1.466 5.966 -0.370) 6.154 5.372 ( 0.559 -4.662 0.507) 4.723 5.387 ( 0.109 -4.912 -0.499) 4.939 5.588 ( -0.280 3.144 0.934) 3.291 5.619 ( -1.580 3.778 -0.580) 4.136 5.641 ( 0.394 -1.353 0.465) 1.484 5.693 ( 0.719 -2.545 -0.566) 2.705 6.101 ( -10.165 5.052 -0.144) 11.352 6.112 ( -10.486 5.861 0.339) 12.017 6.231 ( -7.795 -2.302 0.223) 8.130 6.308 ( -7.006 -7.752 -0.470) 10.459 6.680 ( -2.242 4.199 -0.143) 4.762 6.733 ( -1.364 -0.251 0.429) 1.452 6.744 ( -0.805 -2.385 -1.073) 2.736 6.832 ( -1.236 -7.653 0.687) 7.783 7.415 ( 5.456 0.597 0.573) 5.518 7.432 ( 5.714 0.629 -0.547) 5.774 7.450 ( 5.833 -2.427 0.377) 6.329 7.467 ( 6.437 -2.454 -0.424) 6.902 10.661 ( -0.378 0.322 0.117) 0.511 10.666 ( -0.478 0.207 -0.076) 0.526 10.686 ( 0.093 -2.006 0.229) 2.021 10.689 ( -0.241 -1.975 -0.221) 2.002 11.230 ( -1.497 2.540 0.036) 2.949 11.271 ( -1.551 0.526 -0.866) 1.852 11.276 ( -1.554 0.363 0.943) 1.853 11.316 ( -1.614 -1.428 -0.097) 2.157 11.634 ( -0.203 3.711 0.218) 3.723 11.649 ( -0.888 3.305 -0.677) 3.489 11.679 ( -1.732 2.098 0.698) 2.809 11.723 ( -1.570 -1.349 -0.229) 2.082 11.862 ( 3.133 0.091 0.690) 3.209 11.890 ( 3.157 -0.692 -0.788) 3.327 11.945 ( 3.004 -0.793 0.665) 3.177 11.992 ( 3.253 -3.648 -0.660) 4.932 ======================= Grid point 29 (18/52) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 4.053 8.569 2.555) 9.817 1.048 ( 2.531 6.941 -2.389) 7.765 1.115 ( 1.180 1.916 0.939) 2.438 1.170 ( -1.166 -2.494 -0.230) 2.763 1.278 ( -0.037 -0.329 -0.156) 0.366 1.333 ( 0.872 -1.324 0.504) 1.664 1.366 ( 1.339 0.778 -1.472) 2.137 1.416 ( 0.205 3.893 -0.284) 3.909 1.443 ( -0.220 -3.876 -0.663) 3.938 1.504 ( 2.692 2.282 2.352) 4.241 1.518 ( -0.469 2.071 -0.489) 2.179 1.538 ( 0.818 -4.643 -1.340) 4.901 1.606 ( 2.967 1.577 0.814) 3.457 1.651 ( 1.740 0.640 -0.695) 1.980 1.696 ( 6.025 2.265 0.854) 6.493 1.815 ( 3.038 -3.451 1.462) 4.824 1.869 ( 2.549 1.299 -0.967) 3.020 1.901 ( 4.447 0.697 -1.977) 4.917 1.931 ( 7.219 3.636 0.775) 8.120 1.978 ( 6.140 -0.640 1.272) 6.303 2.193 ( 0.135 2.965 -0.918) 3.106 2.214 ( -1.489 1.189 -0.189) 1.915 2.314 ( -0.129 -0.219 -0.809) 0.848 2.350 ( 0.771 -3.057 1.472) 3.480 2.680 ( -1.775 4.593 -0.933) 5.012 2.719 ( -0.907 3.665 0.804) 3.861 2.789 ( -1.282 -3.639 -1.218) 4.046 2.805 ( -0.065 -2.007 0.910) 2.204 2.856 ( -1.166 2.003 -0.276) 2.334 2.861 ( -1.827 1.243 -0.539) 2.275 2.900 ( -2.310 1.590 0.759) 2.905 2.927 ( -3.051 -0.919 0.401) 3.212 3.208 ( -1.609 -0.453 0.024) 1.672 3.224 ( -0.954 -0.484 -1.334) 1.710 3.251 ( -2.524 -3.077 1.069) 4.121 3.255 ( -1.540 -2.701 0.330) 3.127 3.519 ( 0.746 5.629 -0.018) 5.678 3.554 ( -0.113 5.543 -0.048) 5.544 3.643 ( 0.262 -5.438 0.005) 5.444 3.686 ( -1.001 -6.125 -0.095) 6.207 4.031 ( 0.511 6.904 -0.058) 6.923 4.038 ( -0.585 7.096 0.149) 7.121 4.094 ( 2.380 0.361 0.247) 2.420 4.112 ( 1.153 0.123 -0.254) 1.187 4.456 ( -2.082 0.537 -0.397) 2.186 4.461 ( -1.667 -0.199 0.675) 1.810 4.491 ( -3.067 0.658 -0.203) 3.143 4.513 ( -3.124 -1.619 -0.144) 3.521 5.274 ( 0.351 4.127 0.205) 4.147 5.287 ( 0.568 4.246 -0.296) 4.294 5.371 ( -0.519 -4.687 0.067) 4.717 5.386 ( -0.428 -4.725 -0.101) 4.745 5.594 ( 0.488 6.707 -0.563) 6.748 5.605 ( 0.395 5.430 0.644) 5.482 5.673 ( 1.313 -0.420 1.414) 1.975 5.697 ( 0.673 -2.025 -1.201) 2.449 5.925 ( -6.720 5.274 0.408) 8.552 5.964 ( -5.622 5.914 -0.229) 8.163 6.087 ( -5.612 -7.085 0.606) 9.058 6.165 ( -5.718 -9.868 -1.096) 11.458 6.646 ( -1.336 3.153 0.728) 3.501 6.677 ( -2.953 0.003 -0.173) 2.958 6.716 ( -1.982 -2.830 -1.155) 3.643 6.798 ( -2.499 -7.530 0.761) 7.970 7.507 ( 3.506 0.546 -0.372) 3.568 7.529 ( 3.333 0.162 0.252) 3.346 7.545 ( 3.503 -2.426 0.139) 4.263 7.569 ( 3.314 -3.226 -0.064) 4.626 10.652 ( -0.617 0.631 0.031) 0.883 10.653 ( -0.695 0.574 -0.016) 0.902 10.682 ( -0.321 -2.167 -0.201) 2.200 10.687 ( -0.177 -2.425 0.203) 2.440 11.202 ( -1.241 2.378 0.068) 2.683 11.232 ( -1.792 1.175 -0.526) 2.207 11.253 ( -1.300 -0.406 0.705) 1.534 11.280 ( -1.823 -1.333 -0.205) 2.267 11.620 ( -1.474 4.047 -0.461) 4.332 11.623 ( -1.156 3.252 0.362) 3.470 11.650 ( -1.535 2.516 0.150) 2.951 11.681 ( -2.346 0.211 -0.092) 2.357 11.936 ( 3.881 2.743 0.179) 4.756 11.958 ( 4.039 0.248 0.313) 4.059 12.027 ( 4.350 -3.776 -1.340) 5.914 12.062 ( 4.160 -5.903 0.809) 7.267 ======================= Grid point 30 (19/52) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 4.680 3.586 0.136) 5.898 1.101 ( 2.527 1.026 -0.377) 2.754 1.136 ( -0.817 0.204 1.579) 1.789 1.182 ( 2.622 -1.084 0.113) 2.840 1.285 ( 3.256 5.496 -2.294) 6.787 1.349 ( -0.431 1.775 0.545) 1.906 1.392 ( 3.168 -0.043 -0.682) 3.240 1.410 ( -0.668 3.328 1.224) 3.609 1.459 ( 1.783 -4.113 -1.096) 4.615 1.488 ( -1.430 0.112 -0.644) 1.572 1.528 ( 0.501 -0.401 0.111) 0.651 1.550 ( -1.040 -0.915 0.653) 1.531 1.637 ( 0.888 2.734 0.806) 2.986 1.656 ( -1.413 2.768 -0.257) 3.118 1.740 ( -1.670 1.894 1.107) 2.757 1.814 ( -2.769 -3.130 0.525) 4.212 1.915 ( 3.580 3.605 -1.276) 5.239 1.990 ( 4.101 -3.014 -1.248) 5.240 2.055 ( 3.597 4.440 1.695) 5.961 2.104 ( 4.754 -0.501 2.022) 5.190 2.183 ( -0.589 1.422 -0.990) 1.830 2.192 ( 0.491 0.202 -2.003) 2.072 2.300 ( -0.790 2.101 0.241) 2.258 2.343 ( -1.912 -1.677 0.334) 2.565 2.698 ( 2.256 3.853 0.398) 4.483 2.743 ( 0.165 3.307 -0.203) 3.318 2.776 ( 0.990 -2.594 -0.856) 2.906 2.807 ( -1.727 -1.270 0.940) 2.341 2.855 ( 2.676 2.600 0.463) 3.760 2.868 ( 0.707 1.714 -0.286) 1.877 2.879 ( 0.886 1.301 0.146) 1.581 2.888 ( 0.050 0.149 -0.342) 0.376 3.157 ( -4.236 -0.484 -0.479) 4.290 3.176 ( -2.414 -0.746 -0.791) 2.647 3.209 ( -1.000 -3.924 0.413) 4.070 3.236 ( -0.961 -5.450 0.467) 5.554 3.534 ( 1.199 3.705 -0.327) 3.908 3.563 ( 1.048 2.767 0.444) 2.992 3.624 ( -1.810 -4.488 0.396) 4.855 3.649 ( -2.005 -4.812 -0.299) 5.221 4.022 ( -0.638 8.620 0.482) 8.657 4.028 ( -0.048 8.866 -0.530) 8.882 4.110 ( -0.570 -0.024 0.106) 0.580 4.120 ( 0.285 -0.026 -0.290) 0.407 4.377 ( -4.342 0.181 -0.659) 4.396 4.420 ( -2.195 -1.464 0.208) 2.647 4.426 ( -3.912 0.046 -0.382) 3.931 4.474 ( -2.088 -2.163 0.863) 3.127 5.301 ( 2.126 2.386 0.139) 3.199 5.306 ( 1.702 2.497 -0.186) 3.027 5.361 ( -0.470 -3.637 0.087) 3.668 5.373 ( -0.600 -3.838 -0.132) 3.887 5.604 ( 0.701 6.242 0.013) 6.282 5.615 ( 0.473 5.398 0.086) 5.419 5.677 ( -1.467 -0.788 -0.482) 1.734 5.686 ( -2.208 -1.054 0.280) 2.463 5.853 ( -1.821 9.075 0.473) 9.268 5.885 ( -1.568 8.010 -0.194) 8.164 6.048 ( 0.068 -8.695 0.584) 8.714 6.105 ( -0.634 -10.822 -0.600) 10.857 6.638 ( -0.058 3.053 -0.013) 3.054 6.643 ( -0.437 -0.195 0.676) 0.829 6.677 ( -1.006 -3.400 -0.743) 3.623 6.754 ( -2.224 -6.745 0.080) 7.103 7.543 ( 0.879 -0.530 -0.186) 1.043 7.559 ( 0.303 -1.178 -0.088) 1.219 7.578 ( -0.015 -2.559 0.511) 2.610 7.587 ( -0.754 -3.137 -0.254) 3.237 10.640 ( -0.508 0.849 -0.081) 0.993 10.642 ( -0.473 0.940 0.078) 1.055 10.676 ( -0.256 -2.370 -0.104) 2.386 10.683 ( -0.251 -2.688 0.093) 2.702 11.185 ( -0.591 2.158 -0.221) 2.248 11.206 ( -0.659 1.362 0.299) 1.542 11.233 ( -1.067 -0.612 -0.245) 1.254 11.251 ( -0.989 -1.065 0.206) 1.468 11.595 ( -0.863 3.945 -0.154) 4.041 11.603 ( -0.934 3.521 0.251) 3.652 11.625 ( -0.933 2.187 -0.435) 2.417 11.645 ( -1.312 0.711 0.281) 1.518 12.000 ( 2.550 3.878 -0.152) 4.644 12.031 ( 2.773 0.180 1.161) 3.012 12.079 ( 2.371 -3.542 -1.973) 4.697 12.142 ( 2.958 -7.192 0.979) 7.838 ======================= Grid point 31 (20/52) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 0.472 0.000) 0.472 1.137 ( -0.000 -0.072 -0.000) 0.072 1.157 ( 0.000 -0.234 0.000) 0.234 1.186 ( -0.000 -1.949 0.000) 1.949 1.339 ( 0.000 4.494 -0.000) 4.494 1.346 ( -0.000 3.388 0.000) 3.388 1.418 ( -0.000 4.876 -0.000) 4.876 1.450 ( 0.000 -1.404 0.000) 1.404 1.454 ( -0.000 -0.806 -0.000) 0.806 1.474 ( -0.000 -1.496 0.000) 1.496 1.517 ( -0.000 2.679 0.000) 2.679 1.536 ( 0.000 1.078 0.000) 1.078 1.630 ( -0.000 2.790 0.000) 2.790 1.660 ( 0.000 -0.262 0.000) 0.262 1.707 ( -0.000 3.339 0.000) 3.339 1.777 ( 0.000 -3.942 -0.000) 3.942 1.950 ( 0.000 3.574 0.000) 3.574 2.022 ( 0.000 -2.787 0.000) 2.787 2.093 ( 0.000 5.254 0.000) 5.254 2.160 ( 0.000 -0.623 -0.000) 0.623 2.177 ( 0.000 0.377 0.000) 0.377 2.191 ( 0.000 -1.089 0.000) 1.089 2.294 ( -0.000 2.131 0.000) 2.131 2.316 ( 0.000 -0.303 0.000) 0.303 2.721 ( 0.000 2.459 -0.000) 2.459 2.727 ( 0.000 3.713 0.000) 3.713 2.777 ( -0.000 -2.975 0.000) 2.975 2.798 ( 0.000 -2.930 0.000) 2.930 2.872 ( 0.000 3.349 0.000) 3.349 2.891 ( -0.000 3.021 0.000) 3.021 2.903 ( 0.000 0.733 -0.000) 0.733 2.913 ( 0.000 0.862 0.000) 0.862 3.094 ( 0.000 2.250 0.000) 2.250 3.142 ( -0.000 1.313 0.000) 1.313 3.207 ( 0.000 -7.005 0.000) 7.005 3.228 ( 0.000 -7.187 0.000) 7.187 3.551 ( -0.000 1.420 0.000) 1.420 3.583 ( -0.000 0.737 0.000) 0.737 3.604 ( 0.000 -2.228 -0.000) 2.228 3.626 ( 0.000 -2.701 0.000) 2.701 4.021 ( 0.000 9.098 0.000) 9.098 4.033 ( 0.000 9.199 0.000) 9.199 4.101 ( 0.000 0.278 0.000) 0.278 4.118 ( 0.000 0.427 0.000) 0.427 4.326 ( 0.000 0.179 0.000) 0.179 4.383 ( -0.000 -0.222 0.000) 0.222 4.392 ( 0.000 -3.154 0.000) 3.154 4.448 ( 0.000 -3.902 -0.000) 3.902 5.329 ( 0.000 1.712 0.000) 1.712 5.332 ( 0.000 1.120 0.000) 1.120 5.354 ( -0.000 -2.043 0.000) 2.043 5.365 ( -0.000 -2.829 -0.000) 2.829 5.624 ( -0.000 3.956 -0.000) 3.956 5.629 ( 0.000 1.799 0.000) 1.799 5.637 ( -0.000 1.993 0.000) 1.993 5.648 ( 0.000 1.878 0.000) 1.878 5.837 ( 0.000 11.434 0.000) 11.434 5.883 ( 0.000 7.704 0.000) 7.704 6.055 ( 0.000 -8.584 0.000) 8.584 6.101 ( 0.000 -11.177 0.000) 11.177 6.637 ( 0.000 2.717 0.000) 2.717 6.655 ( 0.000 -1.525 0.000) 1.525 6.665 ( -0.000 -2.481 -0.000) 2.481 6.726 ( -0.000 -5.632 0.000) 5.632 7.553 ( 0.000 -1.975 0.000) 1.975 7.559 ( 0.000 -2.029 0.000) 2.029 7.568 ( 0.000 -2.177 0.000) 2.177 7.575 ( -0.000 -2.506 0.000) 2.506 10.634 ( 0.000 1.022 0.000) 1.022 10.638 ( 0.000 0.991 0.000) 0.991 10.673 ( 0.000 -2.447 0.000) 2.447 10.681 ( 0.000 -2.782 0.000) 2.782 11.178 ( 0.000 2.089 0.000) 2.089 11.208 ( 0.000 2.176 0.000) 2.176 11.214 ( 0.000 -1.282 0.000) 1.282 11.244 ( 0.000 -1.084 0.000) 1.084 11.586 ( 0.000 3.787 0.000) 3.787 11.594 ( 0.000 3.810 -0.000) 3.810 11.614 ( 0.000 1.797 0.000) 1.797 11.634 ( 0.000 0.837 0.000) 0.837 12.025 ( 0.000 4.066 -0.000) 4.066 12.064 ( -0.000 0.493 0.000) 0.493 12.095 ( 0.000 -3.476 0.000) 3.476 12.175 ( 0.000 -7.520 0.000) 7.520 ======================= Grid point 63 (21/52) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( -0.029 0.000 12.393) 12.393 0.269 ( -8.983 0.000 13.521) 16.233 0.454 ( -3.450 0.000 -2.715) 4.390 0.513 ( 7.149 0.000 -10.505) 12.707 0.553 ( 3.357 0.000 20.154) 20.431 0.968 ( 1.444 0.000 -16.994) 17.055 1.260 ( -4.581 0.000 4.168) 6.193 1.284 ( 1.295 0.000 1.998) 2.381 1.394 ( 2.950 0.000 -2.003) 3.565 1.396 ( -1.510 0.000 -2.045) 2.542 1.440 ( 1.624 0.000 1.261) 2.056 1.480 ( -1.615 0.000 -2.392) 2.886 1.564 ( 1.112 0.000 2.061) 2.342 1.568 ( -1.211 0.000 1.720) 2.104 1.620 ( 0.485 0.000 0.203) 0.526 1.646 ( -1.913 0.000 -2.691) 3.302 1.734 ( 0.128 0.000 0.283) 0.310 1.736 ( -0.449 0.000 -0.063) 0.453 1.831 ( 0.407 0.000 0.999) 1.078 1.848 ( -0.719 0.000 -0.630) 0.956 1.998 ( -0.797 0.000 0.725) 1.078 2.016 ( 0.858 0.000 -0.874) 1.225 2.117 ( 0.056 0.000 2.899) 2.900 2.183 ( -0.565 0.000 -3.245) 3.294 2.490 ( -2.684 0.000 1.036) 2.877 2.519 ( 2.166 0.000 -1.703) 2.755 2.657 ( -2.297 0.000 2.798) 3.620 2.712 ( 1.637 0.000 -2.807) 3.249 2.796 ( -1.389 0.000 0.920) 1.666 2.797 ( -0.051 0.000 0.671) 0.673 3.221 ( 0.122 0.000 1.496) 1.501 3.240 ( 2.090 0.000 1.315) 2.470 3.240 ( -0.155 0.000 -0.599) 0.619 3.291 ( -1.826 0.000 -2.984) 3.498 3.382 ( -8.840 0.000 2.806) 9.275 3.431 ( 21.094 0.000 -1.888) 21.179 3.519 ( -0.137 0.000 0.311) 0.340 3.525 ( -0.609 0.000 -0.294) 0.676 3.599 ( 8.825 0.000 2.243) 9.105 3.649 ( -19.904 0.000 -2.425) 20.052 3.724 ( -3.485 0.000 0.495) 3.520 3.732 ( 1.664 0.000 -0.298) 1.690 3.861 ( -3.955 0.000 0.217) 3.961 3.866 ( 1.132 0.000 -0.235) 1.156 4.217 ( 0.884 0.000 0.672) 1.111 4.230 ( -0.755 0.000 -0.530) 0.922 4.792 ( 6.763 0.000 0.489) 6.780 4.798 ( -2.310 0.000 -0.004) 2.310 4.799 ( -1.721 0.000 0.004) 1.721 4.804 ( 0.392 0.000 -0.493) 0.630 5.240 ( 0.635 0.000 0.847) 1.058 5.260 ( -0.765 0.000 -1.038) 1.289 5.547 ( 2.618 0.000 0.106) 2.620 5.549 ( -7.750 0.000 -0.049) 7.751 5.718 ( -0.043 0.000 0.639) 0.641 5.732 ( 0.047 0.000 -0.648) 0.650 6.122 ( 8.254 0.000 0.105) 8.255 6.127 ( -4.235 0.000 -0.323) 4.247 6.142 ( -0.817 0.000 0.248) 0.853 6.145 ( 1.471 0.000 -0.038) 1.472 6.804 ( -0.422 0.000 0.121) 0.439 6.807 ( 0.421 0.000 -0.133) 0.442 7.170 ( -1.140 0.000 0.324) 1.186 7.177 ( 5.202 0.000 -0.282) 5.209 7.251 ( 2.073 0.000 0.198) 2.082 7.255 ( -1.990 0.000 -0.213) 2.001 7.533 ( 0.243 0.000 0.383) 0.454 7.541 ( 0.651 0.000 -0.360) 0.743 10.716 ( 0.058 0.000 0.229) 0.236 10.721 ( -0.057 0.000 -0.231) 0.238 10.814 ( 1.454 0.000 0.081) 1.456 10.815 ( -0.433 0.000 -0.078) 0.440 11.178 ( -0.905 0.000 0.025) 0.905 11.178 ( 0.092 0.000 -0.031) 0.097 11.179 ( -0.265 0.000 0.026) 0.266 11.180 ( 0.278 0.000 -0.018) 0.278 11.397 ( 0.064 0.000 0.150) 0.163 11.401 ( -0.066 0.000 -0.150) 0.164 11.590 ( -3.040 0.000 0.095) 3.042 11.592 ( 8.952 0.000 -0.093) 8.952 11.941 ( 1.962 0.000 0.477) 2.019 11.954 ( -3.977 0.000 -0.874) 4.072 12.010 ( 11.719 0.000 1.283) 11.789 12.032 ( -23.388 0.000 -0.878) 23.404 ======================= Grid point 64 (22/52) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 13.490 0.000 -2.453) 13.711 0.435 ( 13.804 0.000 6.885) 15.425 0.647 ( 15.075 0.000 -0.493) 15.083 0.659 ( 4.192 0.000 -14.098) 14.708 0.839 ( 14.020 0.000 14.970) 20.510 1.001 ( 13.168 0.000 -4.838) 14.028 1.256 ( 2.654 0.000 0.264) 2.667 1.306 ( 0.637 0.000 2.245) 2.333 1.369 ( -0.232 0.000 -4.938) 4.944 1.415 ( -1.474 0.000 -1.497) 2.101 1.428 ( -0.010 0.000 1.086) 1.086 1.479 ( 2.547 0.000 0.371) 2.574 1.562 ( -0.940 0.000 0.739) 1.196 1.585 ( -0.538 0.000 1.244) 1.355 1.609 ( -2.497 0.000 -1.780) 3.066 1.640 ( 0.905 0.000 1.747) 1.968 1.725 ( -2.540 0.000 0.866) 2.683 1.784 ( 1.607 0.000 -1.861) 2.459 1.903 ( 5.524 0.000 -1.103) 5.633 1.928 ( 7.285 0.000 1.349) 7.409 2.050 ( 4.735 0.000 0.986) 4.836 2.092 ( 7.103 0.000 -1.199) 7.203 2.159 ( 0.121 0.000 -2.723) 2.726 2.177 ( 3.718 0.000 3.278) 4.957 2.456 ( -0.935 0.000 0.401) 1.017 2.499 ( -4.144 0.000 0.581) 4.185 2.577 ( -1.797 0.000 -1.792) 2.537 2.626 ( -3.747 0.000 2.478) 4.492 2.746 ( -0.037 0.000 0.999) 0.999 2.752 ( 0.673 0.000 -1.439) 1.589 3.100 ( -9.257 0.000 1.052) 9.316 3.159 ( -7.841 0.000 -2.253) 8.158 3.223 ( -3.695 0.000 -2.052) 4.226 3.232 ( -2.800 0.000 2.528) 3.773 3.421 ( 2.125 0.000 2.565) 3.331 3.458 ( -2.461 0.000 -0.992) 2.653 3.555 ( 3.856 0.000 -0.016) 3.856 3.607 ( 3.388 0.000 1.347) 3.646 3.691 ( 0.518 0.000 -1.530) 1.615 3.713 ( 0.953 0.000 0.307) 1.001 3.739 ( -0.369 0.000 -1.829) 1.866 3.816 ( 1.956 0.000 0.349) 1.987 3.997 ( 5.594 0.000 8.743) 10.379 4.000 ( 8.850 0.000 -8.620) 12.354 4.286 ( 6.594 0.000 1.500) 6.762 4.298 ( 6.452 0.000 -0.834) 6.505 4.679 ( -5.580 0.000 -0.254) 5.586 4.735 ( -3.578 0.000 -1.044) 3.727 4.873 ( 3.826 0.000 -0.343) 3.841 4.892 ( 3.244 0.000 -0.022) 3.244 5.252 ( 0.574 0.000 -1.025) 1.175 5.276 ( 1.946 0.000 1.201) 2.287 5.528 ( -3.842 0.000 -2.002) 4.332 5.556 ( -8.278 0.000 2.739) 8.720 5.683 ( -3.143 0.000 -0.289) 3.156 5.687 ( -0.900 0.000 -0.079) 0.904 6.115 ( -2.634 0.000 -0.461) 2.674 6.167 ( 2.563 0.000 0.587) 2.629 6.242 ( 9.215 0.000 8.119) 12.281 6.371 ( 6.684 0.000 -8.201) 10.580 6.680 ( -10.463 0.000 -2.270) 10.706 6.822 ( 3.799 0.000 -5.767) 6.906 7.163 ( -2.565 0.000 2.271) 3.426 7.253 ( 1.052 0.000 -0.720) 1.275 7.360 ( 16.510 0.000 3.982) 16.983 7.475 ( 12.188 0.000 -4.143) 12.873 7.577 ( 3.533 0.000 0.672) 3.597 7.605 ( 5.880 0.000 -3.896) 7.054 10.718 ( -0.108 0.000 -0.282) 0.302 10.719 ( 0.109 0.000 0.302) 0.321 10.806 ( -0.336 0.000 -0.300) 0.450 10.828 ( 0.158 0.000 -0.646) 0.665 11.125 ( -3.309 0.000 1.613) 3.681 11.158 ( -2.123 0.000 -0.330) 2.149 11.177 ( -0.282 0.000 0.044) 0.285 11.177 ( -0.229 0.000 -0.033) 0.231 11.393 ( -0.732 0.000 -0.237) 0.769 11.394 ( -0.628 0.000 0.258) 0.679 11.479 ( -4.450 0.000 -1.782) 4.793 11.496 ( -6.758 0.000 2.131) 7.086 11.926 ( 0.946 0.000 0.399) 1.026 12.023 ( 5.201 0.000 1.821) 5.510 12.086 ( 10.898 0.000 -8.233) 13.658 12.322 ( 11.711 0.000 7.156) 13.724 ======================= Grid point 65 (23/52) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 14.480 0.000 -2.364) 14.672 0.625 ( 5.460 0.000 -11.846) 13.043 0.763 ( 14.243 0.000 4.980) 15.089 0.871 ( 8.325 0.000 1.069) 8.393 1.115 ( -3.350 0.000 3.684) 4.980 1.186 ( 11.822 0.000 4.749) 12.740 1.309 ( 2.063 0.000 -2.745) 3.434 1.353 ( 0.840 0.000 0.788) 1.152 1.353 ( 4.257 0.000 1.200) 4.423 1.403 ( -3.204 0.000 1.926) 3.738 1.472 ( 6.234 0.000 -5.536) 8.338 1.495 ( -1.946 0.000 -2.515) 3.180 1.533 ( -2.833 0.000 -1.069) 3.028 1.554 ( -4.761 0.000 0.565) 4.795 1.590 ( 2.712 0.000 3.342) 4.304 1.655 ( -3.774 0.000 1.663) 4.125 1.714 ( 8.767 0.000 -0.405) 8.776 1.773 ( -0.750 0.000 -2.191) 2.315 2.002 ( 5.484 0.000 -1.028) 5.579 2.058 ( 3.785 0.000 1.908) 4.239 2.121 ( -0.035 0.000 -2.833) 2.833 2.162 ( 4.788 0.000 3.128) 5.719 2.253 ( 2.146 0.000 0.714) 2.262 2.263 ( 7.489 0.000 -0.516) 7.507 2.437 ( -2.759 0.000 0.751) 2.859 2.459 ( 0.723 0.000 -0.549) 0.907 2.592 ( 4.054 0.000 -1.361) 4.276 2.603 ( 0.654 0.000 1.084) 1.266 2.762 ( 1.208 0.000 -1.519) 1.941 2.772 ( 1.302 0.000 1.210) 1.777 2.957 ( -5.363 0.000 1.128) 5.480 3.009 ( -6.255 0.000 -1.250) 6.379 3.160 ( -2.097 0.000 -0.420) 2.139 3.202 ( -1.171 0.000 0.775) 1.405 3.390 ( -4.868 0.000 1.948) 5.243 3.396 ( -2.796 0.000 -1.682) 3.263 3.581 ( -1.313 0.000 -0.385) 1.368 3.615 ( -4.322 0.000 1.042) 4.446 3.692 ( 0.877 0.000 -0.436) 0.980 3.725 ( 0.172 0.000 0.013) 0.172 3.772 ( 5.279 0.000 -0.282) 5.287 3.871 ( 3.996 0.000 -0.797) 4.075 4.053 ( 2.488 0.000 -2.981) 3.883 4.066 ( 0.465 0.000 3.208) 3.241 4.364 ( 0.315 0.000 0.736) 0.800 4.375 ( 2.034 0.000 -0.960) 2.249 4.598 ( -4.478 0.000 2.617) 5.186 4.640 ( -5.473 0.000 -2.068) 5.851 4.940 ( 3.030 0.000 -0.071) 3.031 4.945 ( 2.376 0.000 -0.010) 2.376 5.265 ( 1.146 0.000 -0.613) 1.299 5.304 ( -0.987 0.000 0.259) 1.020 5.355 ( -10.206 0.000 0.681) 10.229 5.364 ( -7.563 0.000 -0.396) 7.573 5.661 ( -0.999 0.000 0.693) 1.216 5.665 ( -1.753 0.000 -0.671) 1.877 6.031 ( -4.712 0.000 -0.770) 4.775 6.175 ( -2.145 0.000 -1.258) 2.487 6.400 ( 1.586 0.000 6.024) 6.229 6.420 ( 3.534 0.000 -0.031) 3.534 6.523 ( -4.091 0.000 2.936) 5.036 6.779 ( -2.175 0.000 -9.179) 9.433 7.140 ( -4.026 0.000 5.523) 6.834 7.203 ( -4.315 0.000 -3.087) 5.305 7.627 ( 3.878 0.000 3.682) 5.348 7.632 ( 5.782 0.000 -1.037) 5.875 7.682 ( 5.985 0.000 -5.471) 8.108 7.693 ( 8.336 0.000 3.298) 8.965 10.713 ( -0.103 0.000 -0.333) 0.348 10.724 ( 0.236 0.000 0.277) 0.364 10.800 ( -0.223 0.000 0.199) 0.299 10.820 ( -0.569 0.000 -0.465) 0.735 11.084 ( -1.853 0.000 0.901) 2.061 11.113 ( -1.944 0.000 -0.603) 2.035 11.167 ( -0.829 0.000 0.056) 0.831 11.168 ( -0.782 0.000 -0.054) 0.784 11.370 ( -1.005 0.000 -0.558) 1.149 11.380 ( -0.955 0.000 0.419) 1.043 11.423 ( -2.319 0.000 0.106) 2.322 11.427 ( -1.181 0.000 -0.027) 1.181 11.969 ( 2.681 0.000 0.758) 2.786 12.144 ( 5.831 0.000 -0.448) 5.848 12.177 ( 3.661 0.000 -2.641) 4.514 12.481 ( 2.832 0.000 3.022) 4.142 ======================= Grid point 66 (24/52) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 9.601 0.000 -0.354) 9.608 0.862 ( 10.901 0.000 -0.666) 10.921 0.991 ( 4.728 0.000 -1.395) 4.929 1.003 ( 4.885 0.000 1.833) 5.218 1.077 ( 1.734 0.000 4.417) 4.745 1.265 ( -2.226 0.000 -0.633) 2.315 1.274 ( -4.247 0.000 -2.237) 4.800 1.336 ( -4.264 0.000 0.959) 4.370 1.388 ( 1.489 0.000 0.782) 1.682 1.414 ( -1.276 0.000 -5.830) 5.968 1.424 ( -6.439 0.000 0.583) 6.465 1.469 ( -0.570 0.000 1.981) 2.062 1.525 ( 1.937 0.000 5.625) 5.949 1.537 ( 5.556 0.000 -4.486) 7.141 1.616 ( -2.048 0.000 1.813) 2.735 1.660 ( 4.156 0.000 0.178) 4.160 1.741 ( -1.746 0.000 -3.106) 3.563 1.851 ( 1.530 0.000 0.706) 1.685 2.090 ( 1.648 0.000 0.874) 1.866 2.100 ( 1.910 0.000 -0.486) 1.971 2.148 ( 6.618 0.000 -2.888) 7.221 2.245 ( 1.937 0.000 3.398) 3.911 2.281 ( 0.002 0.000 0.702) 0.702 2.355 ( 3.084 0.000 -0.888) 3.210 2.387 ( -2.632 0.000 -0.331) 2.653 2.430 ( -2.990 0.000 -0.367) 3.012 2.680 ( 4.739 0.000 0.395) 4.756 2.702 ( 6.341 0.000 -0.368) 6.352 2.782 ( 2.599 0.000 -1.608) 3.056 2.805 ( 1.806 0.000 1.029) 2.078 2.908 ( -3.326 0.000 -1.272) 3.561 2.919 ( -0.343 0.000 1.693) 1.727 3.120 ( -1.848 0.000 0.413) 1.894 3.169 ( -3.995 0.000 0.268) 4.004 3.319 ( -2.102 0.000 0.378) 2.136 3.339 ( -3.724 0.000 -0.625) 3.776 3.520 ( -3.622 0.000 -0.022) 3.622 3.535 ( -2.476 0.000 -0.063) 2.477 3.736 ( 3.825 0.000 0.063) 3.826 3.744 ( 2.603 0.000 -0.081) 2.604 3.859 ( 1.957 0.000 0.836) 2.128 3.916 ( 0.239 0.000 -0.869) 0.901 4.068 ( 0.465 0.000 -1.153) 1.243 4.070 ( -1.104 0.000 1.178) 1.615 4.378 ( 1.337 0.000 0.616) 1.473 4.392 ( 1.040 0.000 -0.529) 1.167 4.514 ( -5.399 0.000 1.955) 5.742 4.522 ( -4.540 0.000 -1.740) 4.862 4.978 ( 1.388 0.000 0.156) 1.397 4.983 ( 1.974 0.000 -0.163) 1.981 5.206 ( -5.059 0.000 -0.058) 5.059 5.209 ( -5.159 0.000 0.026) 5.159 5.308 ( 2.942 0.000 -0.294) 2.957 5.345 ( 1.369 0.000 0.195) 1.383 5.611 ( -3.315 0.000 -0.318) 3.330 5.615 ( -3.863 0.000 0.276) 3.872 5.975 ( -0.705 0.000 0.600) 0.926 6.092 ( -3.535 0.000 -2.251) 4.191 6.439 ( 0.254 0.000 -0.128) 0.284 6.491 ( 1.855 0.000 1.554) 2.420 6.542 ( 2.557 0.000 7.171) 7.613 6.700 ( 1.161 0.000 -7.994) 8.078 7.052 ( -7.679 0.000 4.002) 8.659 7.077 ( -6.117 0.000 -2.794) 6.725 7.681 ( 0.623 0.000 2.378) 2.458 7.693 ( 2.783 0.000 -2.027) 3.444 7.762 ( 3.675 0.000 -1.728) 4.060 7.798 ( 1.372 0.000 1.476) 2.015 10.714 ( 0.273 0.000 -0.045) 0.277 10.731 ( 0.262 0.000 -0.037) 0.264 10.797 ( -0.335 0.000 0.382) 0.508 10.805 ( -0.565 0.000 -0.349) 0.664 11.065 ( -0.644 0.000 0.526) 0.831 11.082 ( -0.870 0.000 -0.517) 1.012 11.149 ( -0.875 0.000 0.044) 0.876 11.150 ( -0.883 0.000 -0.042) 0.884 11.356 ( -0.225 0.000 -0.181) 0.289 11.366 ( -0.636 0.000 0.191) 0.664 11.396 ( -0.657 0.000 -0.047) 0.659 11.411 ( -0.706 0.000 0.058) 0.709 12.023 ( 1.966 0.000 1.523) 2.487 12.168 ( 0.989 0.000 -6.428) 6.504 12.277 ( 3.768 0.000 6.244) 7.293 12.510 ( 0.120 0.000 -1.235) 1.241 ======================= Grid point 67 (25/52) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.645 0.000 5.573) 6.659 0.997 ( 1.563 0.000 -0.452) 1.627 1.009 ( 1.062 0.000 3.923) 4.064 1.053 ( 0.803 0.000 -0.352) 0.877 1.132 ( -7.092 0.000 -1.468) 7.242 1.163 ( -1.973 0.000 -5.596) 5.933 1.221 ( 5.803 0.000 0.829) 5.862 1.259 ( -3.341 0.000 -2.309) 4.061 1.340 ( -1.454 0.000 0.664) 1.599 1.374 ( 0.262 0.000 -2.760) 2.773 1.443 ( 2.198 0.000 2.479) 3.313 1.463 ( -0.517 0.000 0.696) 0.867 1.537 ( -3.708 0.000 4.737) 6.016 1.593 ( -1.051 0.000 1.815) 2.097 1.643 ( 7.668 0.000 -5.246) 9.291 1.659 ( -2.335 0.000 -3.956) 4.594 1.781 ( 5.702 0.000 1.804) 5.980 1.792 ( -6.870 0.000 0.956) 6.937 2.105 ( -0.548 0.000 0.923) 1.074 2.138 ( 1.805 0.000 -2.530) 3.108 2.238 ( -4.866 0.000 0.559) 4.898 2.245 ( 3.704 0.000 -0.369) 3.723 2.295 ( 1.368 0.000 3.050) 3.343 2.339 ( -1.729 0.000 -0.992) 1.994 2.382 ( -1.152 0.000 0.118) 1.158 2.396 ( 1.929 0.000 -1.258) 2.303 2.725 ( 0.244 0.000 1.253) 1.276 2.750 ( -0.208 0.000 -1.140) 1.159 2.841 ( -4.086 0.000 -0.266) 4.095 2.851 ( 3.344 0.000 -1.165) 3.541 2.887 ( 4.109 0.000 0.954) 4.218 2.895 ( -3.608 0.000 0.250) 3.617 3.093 ( -1.869 0.000 1.826) 2.613 3.128 ( 2.003 0.000 -1.507) 2.506 3.257 ( -1.568 0.000 2.494) 2.946 3.312 ( 1.675 0.000 -2.574) 3.071 3.503 ( -0.911 0.000 0.127) 0.920 3.503 ( 0.640 0.000 0.074) 0.644 3.799 ( -0.575 0.000 0.034) 0.576 3.801 ( 0.497 0.000 -0.107) 0.509 3.859 ( 0.797 0.000 1.129) 1.382 3.881 ( -0.611 0.000 -0.935) 1.117 4.059 ( -0.782 0.000 0.689) 1.042 4.073 ( 0.745 0.000 -0.663) 0.997 4.399 ( -0.210 0.000 0.539) 0.579 4.409 ( 0.273 0.000 -0.397) 0.482 4.453 ( -1.060 0.000 1.068) 1.504 4.475 ( 0.997 0.000 -0.979) 1.398 5.003 ( -0.048 0.000 0.511) 0.514 5.014 ( 0.048 0.000 -0.441) 0.443 5.145 ( 0.014 0.000 0.021) 0.025 5.145 ( 0.021 0.000 -0.038) 0.044 5.356 ( 0.821 0.000 0.241) 0.856 5.362 ( -0.881 0.000 -0.300) 0.931 5.565 ( -0.087 0.000 0.086) 0.122 5.567 ( 0.105 0.000 -0.126) 0.164 5.990 ( 0.974 0.000 1.620) 1.890 6.037 ( -0.960 0.000 -2.836) 2.994 6.439 ( -0.155 0.000 3.878) 3.881 6.487 ( -1.539 0.000 -0.945) 1.806 6.630 ( 0.151 0.000 2.448) 2.453 6.720 ( 2.901 0.000 -5.956) 6.624 6.954 ( -2.555 0.000 2.921) 3.881 6.995 ( 1.324 0.000 -1.319) 1.869 7.684 ( -1.635 0.000 1.907) 2.512 7.724 ( 1.467 0.000 -1.824) 2.341 7.799 ( -1.250 0.000 0.062) 1.251 7.799 ( 1.256 0.000 -0.012) 1.256 10.721 ( 0.298 0.000 0.345) 0.455 10.729 ( -0.324 0.000 -0.427) 0.536 10.794 ( -0.136 0.000 0.281) 0.312 10.799 ( 0.188 0.000 -0.215) 0.286 11.062 ( -0.058 0.000 0.445) 0.449 11.072 ( 0.051 0.000 -0.464) 0.467 11.140 ( -0.020 0.000 0.019) 0.028 11.140 ( 0.019 0.000 -0.015) 0.024 11.357 ( 0.255 0.000 0.059) 0.262 11.358 ( -0.272 0.000 -0.080) 0.283 11.395 ( 0.324 0.000 0.295) 0.438 11.400 ( -0.304 0.000 -0.247) 0.392 12.058 ( 0.326 0.000 2.616) 2.637 12.132 ( -0.970 0.000 -4.819) 4.916 12.374 ( 2.288 0.000 6.252) 6.658 12.478 ( -1.634 0.000 -4.041) 4.359 ======================= Grid point 68 (26/52) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -13.345 0.000 -6.455) 14.824 0.862 ( -9.414 0.000 -0.055) 9.414 0.964 ( -5.816 0.000 1.079) 5.915 1.010 ( -5.764 0.000 0.969) 5.845 1.171 ( 4.916 0.000 8.087) 9.464 1.187 ( -0.390 0.000 -5.818) 5.831 1.234 ( 5.284 0.000 0.650) 5.324 1.320 ( 1.654 0.000 2.738) 3.199 1.359 ( 4.252 0.000 -1.029) 4.375 1.394 ( 0.855 0.000 1.208) 1.480 1.463 ( -3.820 0.000 -0.699) 3.883 1.467 ( 2.242 0.000 -0.596) 2.319 1.495 ( 1.931 0.000 -0.137) 1.936 1.571 ( -5.143 0.000 0.601) 5.178 1.643 ( 1.159 0.000 -0.905) 1.470 1.666 ( -2.921 0.000 1.684) 3.371 1.728 ( 2.717 0.000 -3.822) 4.689 1.843 ( -1.910 0.000 1.451) 2.399 2.090 ( -0.441 0.000 0.462) 0.639 2.114 ( -4.419 0.000 -0.129) 4.421 2.122 ( -4.731 0.000 -1.499) 4.962 2.278 ( -1.717 0.000 1.390) 2.210 2.306 ( -0.622 0.000 -2.496) 2.573 2.312 ( -1.787 0.000 2.534) 3.100 2.402 ( 3.116 0.000 -1.216) 3.345 2.417 ( 0.889 0.000 0.599) 1.072 2.690 ( -5.820 0.000 -0.494) 5.841 2.690 ( -6.123 0.000 0.687) 6.161 2.763 ( -1.706 0.000 -0.031) 1.707 2.815 ( -1.990 0.000 -0.030) 1.990 2.890 ( 2.119 0.000 0.474) 2.172 2.943 ( 1.942 0.000 -0.409) 1.985 3.135 ( 3.859 0.000 -0.920) 3.967 3.157 ( 1.905 0.000 1.401) 2.365 3.328 ( 0.032 0.000 0.469) 0.470 3.334 ( 5.689 0.000 -0.932) 5.765 3.523 ( 3.867 0.000 -0.322) 3.880 3.530 ( 2.283 0.000 0.386) 2.315 3.739 ( -3.520 0.000 -0.215) 3.526 3.740 ( -2.844 0.000 0.205) 2.851 3.889 ( -1.253 0.000 -1.906) 2.281 3.890 ( -0.974 0.000 1.651) 1.917 4.049 ( -0.790 0.000 0.598) 0.991 4.088 ( 1.311 0.000 -0.492) 1.401 4.382 ( -1.211 0.000 0.515) 1.316 4.392 ( -1.014 0.000 -0.694) 1.229 4.490 ( 3.738 0.000 1.291) 3.955 4.545 ( 6.153 0.000 -1.015) 6.236 4.980 ( -1.600 0.000 0.176) 1.610 4.982 ( -1.780 0.000 -0.199) 1.791 5.207 ( 4.873 0.000 -0.085) 4.874 5.209 ( 5.355 0.000 0.014) 5.355 5.312 ( -2.721 0.000 -0.708) 2.812 5.338 ( -1.772 0.000 0.800) 1.944 5.607 ( 3.111 0.000 0.051) 3.112 5.619 ( 4.047 0.000 -0.067) 4.047 6.015 ( 0.937 0.000 -3.367) 3.495 6.035 ( 2.804 0.000 2.971) 4.086 6.433 ( -3.255 0.000 -0.245) 3.264 6.494 ( 2.371 0.000 2.285) 3.293 6.559 ( -6.550 0.000 5.005) 8.244 6.728 ( 4.508 0.000 -9.760) 10.750 7.006 ( 3.906 0.000 4.332) 5.833 7.107 ( 8.501 0.000 -1.575) 8.646 7.650 ( -2.864 0.000 1.774) 3.369 7.717 ( -1.278 0.000 -1.047) 1.653 7.747 ( -4.636 0.000 -0.219) 4.641 7.815 ( -0.014 0.000 -0.120) 0.121 10.717 ( -0.505 0.000 -0.393) 0.640 10.726 ( -0.042 0.000 0.395) 0.397 10.798 ( 0.398 0.000 0.333) 0.518 10.806 ( 0.573 0.000 -0.424) 0.713 11.069 ( 0.524 0.000 0.682) 0.860 11.078 ( 0.942 0.000 -0.638) 1.138 11.149 ( 0.852 0.000 0.036) 0.853 11.150 ( 0.902 0.000 -0.034) 0.903 11.356 ( 0.121 0.000 -0.126) 0.175 11.367 ( 0.745 0.000 0.153) 0.760 11.399 ( 0.517 0.000 -0.331) 0.614 11.409 ( 0.837 0.000 0.303) 0.890 12.066 ( -1.763 0.000 3.903) 4.283 12.074 ( -2.343 0.000 -3.611) 4.304 12.398 ( -3.547 0.000 -5.819) 6.815 12.442 ( 1.013 0.000 5.531) 5.623 ======================= Grid point 69 (27/52) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -13.996 0.000 -2.296) 14.183 0.603 ( -16.002 0.000 -0.822) 16.023 0.831 ( -11.772 0.000 -1.428) 11.858 0.897 ( -3.288 0.000 -1.682) 3.694 1.166 ( -3.288 0.000 -0.307) 3.302 1.189 ( -9.896 0.000 6.279) 11.720 1.294 ( 1.841 0.000 -1.820) 2.588 1.330 ( -9.400 0.000 4.285) 10.331 1.338 ( 0.398 0.000 0.171) 0.433 1.419 ( 0.089 0.000 -2.974) 2.975 1.444 ( 3.937 0.000 -0.541) 3.974 1.476 ( -0.259 0.000 -0.403) 0.479 1.520 ( 1.231 0.000 -0.426) 1.303 1.563 ( 5.233 0.000 -0.027) 5.234 1.630 ( -3.353 0.000 2.755) 4.340 1.664 ( -3.255 0.000 -3.947) 5.117 1.715 ( 0.928 0.000 3.485) 3.606 1.758 ( -0.897 0.000 -3.094) 3.222 2.000 ( -5.200 0.000 -0.619) 5.237 2.080 ( -3.501 0.000 0.263) 3.510 2.087 ( -0.775 0.000 0.505) 0.925 2.217 ( -5.418 0.000 -1.992) 5.773 2.246 ( -6.912 0.000 0.927) 6.974 2.248 ( -2.501 0.000 1.212) 2.779 2.437 ( 0.384 0.000 1.354) 1.407 2.450 ( 2.201 0.000 -0.535) 2.265 2.572 ( -4.143 0.000 0.386) 4.161 2.617 ( -0.575 0.000 -0.301) 0.649 2.740 ( -1.202 0.000 0.413) 1.271 2.789 ( -1.147 0.000 -0.452) 1.233 2.981 ( 6.213 0.000 1.516) 6.396 2.996 ( 5.216 0.000 -2.312) 5.706 3.165 ( 0.564 0.000 -0.653) 0.863 3.205 ( 2.503 0.000 0.531) 2.559 3.365 ( 3.648 0.000 1.197) 3.839 3.421 ( 4.333 0.000 -0.960) 4.438 3.579 ( 1.792 0.000 -0.241) 1.808 3.616 ( 4.108 0.000 0.955) 4.217 3.701 ( -0.334 0.000 -1.102) 1.152 3.719 ( -0.227 0.000 0.512) 0.560 3.794 ( -6.040 0.000 -2.691) 6.612 3.839 ( -4.351 0.000 2.184) 4.869 4.004 ( -5.006 0.000 1.548) 5.240 4.109 ( 1.309 0.000 -0.951) 1.619 4.358 ( -2.426 0.000 0.623) 2.504 4.380 ( 0.131 0.000 -0.784) 0.794 4.598 ( 5.937 0.000 2.009) 6.268 4.652 ( 4.989 0.000 -2.236) 5.467 4.940 ( -2.978 0.000 -0.103) 2.980 4.944 ( -2.542 0.000 0.085) 2.544 5.265 ( -1.242 0.000 -0.629) 1.392 5.300 ( 1.307 0.000 0.503) 1.401 5.352 ( 6.332 0.000 0.792) 6.381 5.366 ( 11.232 0.000 -0.376) 11.239 5.653 ( 1.534 0.000 0.435) 1.595 5.673 ( 1.248 0.000 -0.450) 1.327 6.042 ( 3.637 0.000 -2.099) 4.200 6.122 ( 2.514 0.000 3.174) 4.049 6.402 ( -7.801 0.000 1.998) 8.053 6.425 ( 4.490 0.000 0.747) 4.552 6.634 ( 5.257 0.000 5.583) 7.669 6.746 ( 3.594 0.000 -14.693) 15.126 7.121 ( 4.548 0.000 5.652) 7.255 7.222 ( 3.808 0.000 -2.923) 4.800 7.582 ( -8.778 0.000 3.852) 9.586 7.626 ( -4.885 0.000 -0.334) 4.897 7.665 ( -3.681 0.000 -0.399) 3.703 7.768 ( -4.884 0.000 -2.985) 5.724 10.710 ( -0.051 0.000 -0.058) 0.078 10.726 ( -0.127 0.000 0.138) 0.188 10.810 ( 0.495 0.000 0.461) 0.677 10.811 ( 0.292 0.000 -0.813) 0.863 11.093 ( 1.377 0.000 1.245) 1.856 11.103 ( 2.257 0.000 -0.900) 2.429 11.166 ( 0.787 0.000 0.051) 0.788 11.168 ( 0.820 0.000 -0.045) 0.821 11.363 ( 0.706 0.000 0.062) 0.709 11.383 ( 0.829 0.000 0.015) 0.830 11.426 ( 0.805 0.000 0.089) 0.810 11.427 ( 2.852 0.000 -0.146) 2.856 12.002 ( -3.000 0.000 -2.514) 3.914 12.034 ( -4.432 0.000 4.622) 6.404 12.272 ( -5.751 0.000 -6.096) 8.381 12.483 ( 0.373 0.000 3.471) 3.490 ======================= Grid point 70 (28/52) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -14.883 0.000 3.492) 15.287 0.317 ( -8.075 0.000 12.755) 15.096 0.586 ( -10.712 0.000 -2.771) 11.064 0.719 ( -12.968 0.000 -7.251) 14.857 0.835 ( -28.835 0.000 8.695) 30.117 1.038 ( -3.607 0.000 -3.097) 4.754 1.264 ( -0.755 0.000 2.118) 2.248 1.325 ( -2.078 0.000 -0.451) 2.126 1.340 ( 4.429 0.000 -2.976) 5.336 1.412 ( 0.723 0.000 -1.408) 1.583 1.460 ( -2.550 0.000 -1.690) 3.059 1.495 ( 0.506 0.000 -1.222) 1.323 1.537 ( 0.755 0.000 2.340) 2.458 1.577 ( -0.906 0.000 1.467) 1.724 1.605 ( 0.478 0.000 -0.373) 0.606 1.663 ( 1.863 0.000 -0.192) 1.872 1.748 ( -0.264 0.000 1.614) 1.636 1.782 ( 3.018 0.000 -4.038) 5.042 1.890 ( -5.756 0.000 0.162) 5.758 1.947 ( -8.117 0.000 -0.211) 8.120 2.064 ( -5.061 0.000 1.416) 5.256 2.078 ( -5.973 0.000 -1.629) 6.191 2.114 ( -2.733 0.000 1.468) 3.102 2.224 ( -1.756 0.000 -0.989) 2.016 2.467 ( 2.860 0.000 -0.555) 2.913 2.503 ( 3.378 0.000 0.671) 3.444 2.539 ( 0.415 0.000 1.407) 1.467 2.641 ( 2.001 0.000 0.807) 2.157 2.730 ( 0.752 0.000 0.553) 0.933 2.766 ( -0.681 0.000 -0.880) 1.112 3.120 ( 6.502 0.000 1.684) 6.717 3.121 ( 8.151 0.000 -1.199) 8.239 3.209 ( 4.532 0.000 -0.684) 4.583 3.267 ( 3.861 0.000 -0.813) 3.946 3.431 ( 1.469 0.000 2.109) 2.570 3.469 ( 0.314 0.000 -1.675) 1.704 3.560 ( -3.569 0.000 -0.644) 3.626 3.621 ( -7.901 0.000 4.538) 9.111 3.648 ( -5.525 0.000 -2.970) 6.272 3.715 ( -0.186 0.000 0.148) 0.238 3.720 ( 1.250 0.000 -0.121) 1.256 3.801 ( -0.571 0.000 1.422) 1.532 3.896 ( -5.935 0.000 2.106) 6.297 4.135 ( 2.311 0.000 -3.798) 4.446 4.287 ( -4.571 0.000 0.458) 4.594 4.349 ( -4.764 0.000 -3.414) 5.861 4.702 ( 2.654 0.000 -2.911) 3.939 4.715 ( 4.992 0.000 1.019) 5.095 4.869 ( -4.113 0.000 -0.095) 4.114 4.887 ( -3.529 0.000 0.314) 3.543 5.240 ( -0.860 0.000 0.107) 0.866 5.288 ( -1.482 0.000 0.036) 1.482 5.506 ( 5.273 0.000 0.399) 5.288 5.599 ( 9.879 0.000 -0.847) 9.915 5.681 ( 1.383 0.000 -0.123) 1.389 5.685 ( 2.722 0.000 0.014) 2.722 6.104 ( 2.649 0.000 0.446) 2.686 6.146 ( -0.490 0.000 1.387) 1.471 6.267 ( -8.295 0.000 2.954) 8.805 6.594 ( -3.845 0.000 -22.320) 22.649 6.633 ( 6.626 0.000 0.120) 6.627 6.754 ( 3.949 0.000 2.076) 4.462 7.204 ( -2.576 0.000 -2.011) 3.268 7.224 ( 2.569 0.000 2.609) 3.661 7.398 ( -10.559 0.000 3.606) 11.157 7.509 ( -20.019 0.000 -11.218) 22.948 7.563 ( -3.137 0.000 0.848) 3.250 7.587 ( -4.292 0.000 -1.431) 4.525 10.713 ( 0.190 0.000 0.217) 0.288 10.723 ( -0.103 0.000 -0.088) 0.135 10.806 ( -0.238 0.000 -0.673) 0.713 10.819 ( 0.036 0.000 0.368) 0.370 11.138 ( 2.405 0.000 1.960) 3.102 11.148 ( 2.716 0.000 -0.780) 2.826 11.177 ( 0.264 0.000 0.036) 0.266 11.178 ( 0.239 0.000 -0.024) 0.241 11.385 ( 1.275 0.000 0.560) 1.392 11.397 ( 0.521 0.000 -0.032) 0.522 11.443 ( 1.367 0.000 1.379) 1.942 11.516 ( 6.591 0.000 -0.104) 6.592 11.942 ( -1.620 0.000 -1.244) 2.043 11.961 ( -4.763 0.000 3.048) 5.655 12.107 ( -7.940 0.000 -4.168) 8.967 12.468 ( -4.527 0.000 -5.662) 7.250 ======================= Grid point 71 (29/52) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -4.053 13.403 7.070) 15.686 0.491 ( 1.850 7.951 11.501) 14.103 0.630 ( 1.273 11.667 -6.012) 13.186 0.721 ( 0.702 15.459 -5.368) 16.380 0.815 ( 0.063 23.059 5.814) 23.781 0.979 ( 1.905 5.598 -5.949) 8.388 1.275 ( -3.872 1.343 3.919) 5.671 1.333 ( 1.632 3.241 -2.645) 4.490 1.398 ( 0.879 -0.318 0.331) 0.991 1.427 ( -0.220 -0.731 -2.490) 2.605 1.447 ( -0.798 1.489 0.239) 1.706 1.477 ( 0.879 3.196 -2.568) 4.193 1.538 ( 0.161 -1.704 2.406) 2.952 1.578 ( 0.023 -0.606 -1.154) 1.304 1.641 ( 0.464 1.830 1.485) 2.402 1.685 ( -0.601 2.092 -2.700) 3.468 1.784 ( 2.014 0.245 1.205) 2.360 1.789 ( -2.357 0.149 1.084) 2.599 1.814 ( -2.282 -2.093 -0.213) 3.104 1.822 ( 2.404 2.548 -0.477) 3.535 2.107 ( 0.395 1.152 2.290) 2.593 2.166 ( -0.851 0.720 -3.346) 3.527 2.312 ( 0.036 11.250 4.583) 12.147 2.402 ( 0.105 3.474 -3.669) 5.054 2.578 ( -3.057 8.813 -0.688) 9.353 2.594 ( 3.016 7.660 -2.175) 8.514 2.693 ( -0.256 3.633 2.088) 4.198 2.725 ( 0.475 1.161 -0.930) 1.562 2.891 ( 1.624 5.487 1.294) 5.867 2.946 ( -2.172 4.866 -4.539) 7.000 3.150 ( -3.233 -6.353 1.537) 7.292 3.166 ( 1.738 -6.246 -0.446) 6.499 3.208 ( -0.540 0.572 1.807) 1.971 3.255 ( -2.770 -2.080 -1.496) 3.773 3.353 ( 3.586 -2.926 1.360) 4.824 3.364 ( 0.438 -1.851 -0.336) 1.931 3.516 ( -1.547 -0.316 1.338) 2.070 3.547 ( 0.130 -0.198 -1.125) 1.150 3.574 ( -3.504 0.289 0.703) 3.585 3.599 ( 7.439 -0.578 -1.669) 7.646 3.769 ( 1.105 2.395 -0.249) 2.649 3.776 ( -1.205 2.959 -1.294) 3.447 3.907 ( -3.042 2.387 1.044) 4.005 3.917 ( 1.436 2.709 0.098) 3.068 4.275 ( 1.622 4.071 1.645) 4.681 4.312 ( -1.883 4.675 -1.830) 5.362 4.759 ( 1.946 -1.626 0.993) 2.724 4.779 ( -1.831 -1.896 -0.875) 2.777 4.932 ( 0.578 8.255 1.744) 8.457 4.976 ( -0.541 5.751 -2.304) 6.219 5.347 ( -0.833 9.134 3.710) 9.894 5.470 ( 7.353 7.622 -7.487) 12.970 5.535 ( -0.932 -1.136 -0.273) 1.495 5.541 ( -5.975 0.050 -1.729) 6.221 5.708 ( 0.859 -0.966 0.611) 1.430 5.719 ( -0.722 -1.156 -0.448) 1.435 6.131 ( 1.229 -0.187 1.826) 2.209 6.149 ( -0.391 2.653 0.791) 2.796 6.155 ( -2.161 1.937 -0.199) 2.909 6.244 ( 2.053 4.599 -9.750) 10.974 6.756 ( -4.592 -3.079 0.587) 5.560 6.765 ( 4.251 -2.946 -0.140) 5.174 7.047 ( 1.908 -7.106 4.913) 8.847 7.102 ( -0.812 -5.351 -1.305) 5.568 7.305 ( 2.512 3.336 0.932) 4.278 7.329 ( -3.048 3.290 -1.466) 4.718 7.509 ( 0.613 -2.276 0.414) 2.393 7.515 ( -0.259 -2.207 -0.202) 2.231 10.704 ( -0.039 -1.052 0.202) 1.072 10.709 ( -0.015 -1.134 -0.286) 1.169 10.788 ( 0.629 -2.013 0.422) 2.151 10.794 ( -0.367 -1.899 -0.194) 1.944 11.150 ( -0.724 1.440 1.465) 2.178 11.180 ( 0.714 1.449 -1.478) 2.190 11.273 ( -0.665 4.433 1.741) 4.809 11.312 ( 0.577 2.695 -1.962) 3.384 11.429 ( 0.130 3.616 0.688) 3.684 11.448 ( -0.493 3.796 -1.148) 3.996 11.628 ( -2.474 2.874 1.249) 3.993 11.680 ( 5.930 4.422 -4.496) 8.656 11.922 ( 1.769 -1.722 0.439) 2.508 11.934 ( -3.641 -1.790 -0.802) 4.136 11.987 ( 6.837 -1.889 1.103) 7.178 11.998 ( -9.357 -1.703 0.119) 9.512 ======================= Grid point 72 (30/52) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 6.858 10.148 -2.527) 12.506 0.680 ( 6.991 9.639 8.216) 14.467 0.729 ( 6.820 7.270 -5.285) 11.283 0.804 ( 8.432 10.826 -4.019) 14.299 0.948 ( 11.819 15.162 3.872) 19.610 1.077 ( 11.842 7.701 -0.589) 14.139 1.252 ( 0.407 0.452 2.695) 2.762 1.353 ( -2.494 1.261 -1.715) 3.279 1.397 ( 2.509 3.382 -0.804) 4.287 1.415 ( 1.479 0.430 -1.749) 2.330 1.433 ( -0.499 0.447 1.558) 1.696 1.510 ( 3.046 3.113 -2.393) 4.970 1.536 ( -0.614 -1.104 0.814) 1.503 1.575 ( 0.135 -0.522 -0.018) 0.539 1.624 ( -2.348 1.359 -0.966) 2.880 1.666 ( -0.132 1.788 1.006) 2.055 1.753 ( -1.265 1.951 -0.539) 2.386 1.790 ( -0.159 0.663 0.695) 0.973 1.890 ( 5.954 -1.623 1.313) 6.310 1.901 ( 5.712 -1.119 -1.127) 5.929 2.122 ( 0.074 0.711 0.150) 0.730 2.160 ( 1.116 0.721 0.748) 1.525 2.352 ( 0.814 10.632 3.687) 11.283 2.382 ( 0.453 6.425 -3.613) 7.385 2.477 ( -5.137 8.156 0.080) 9.639 2.589 ( -4.200 7.252 -0.318) 8.386 2.659 ( -5.095 7.833 -1.212) 9.422 2.667 ( -3.072 3.634 1.187) 4.904 2.759 ( -1.489 1.471 0.048) 2.094 2.795 ( -2.855 3.867 0.040) 4.807 3.058 ( -6.664 -3.639 0.573) 7.614 3.132 ( -7.947 -3.125 -0.795) 8.576 3.226 ( 0.322 -1.016 1.862) 2.145 3.240 ( -3.924 2.033 -2.025) 4.861 3.334 ( 3.369 -2.654 0.188) 4.293 3.445 ( -0.248 -1.875 0.810) 2.057 3.528 ( 3.422 -7.123 -1.365) 8.019 3.543 ( 2.452 -5.055 0.338) 5.629 3.626 ( 2.070 -0.083 1.829) 2.764 3.729 ( -0.991 2.432 1.341) 2.949 3.785 ( 2.090 3.808 -2.763) 5.148 3.856 ( 1.751 0.264 0.571) 1.861 3.955 ( 9.703 -1.196 -1.111) 9.839 3.979 ( 4.147 0.579 0.484) 4.215 4.301 ( 1.820 2.667 -1.636) 3.620 4.352 ( 3.843 3.067 1.991) 5.305 4.677 ( -5.995 -1.234 -0.246) 6.126 4.737 ( -4.553 -2.000 -0.211) 4.977 4.970 ( 3.389 8.421 -0.050) 9.078 5.000 ( 2.367 7.183 0.032) 7.563 5.296 ( -3.178 3.972 -0.571) 5.119 5.340 ( -4.086 5.367 0.123) 6.746 5.536 ( -2.693 1.144 -0.788) 3.030 5.605 ( -2.122 2.315 1.521) 3.489 5.659 ( -3.856 -1.986 -0.348) 4.351 5.667 ( -2.082 -1.050 -0.225) 2.342 6.064 ( -2.094 -3.328 0.151) 3.935 6.100 ( -1.388 -3.698 -0.071) 3.951 6.266 ( 6.350 1.772 4.437) 7.946 6.390 ( 3.571 0.057 -5.003) 6.147 6.656 ( -7.242 -1.744 -1.229) 7.550 6.807 ( 2.357 -1.731 -3.611) 4.646 7.053 ( -0.192 -10.030 3.218) 10.535 7.144 ( 1.664 -6.215 -0.475) 6.452 7.376 ( 9.453 2.332 -0.949) 9.783 7.486 ( 10.278 -0.559 1.470) 10.398 7.549 ( 3.305 -2.258 -0.567) 4.042 7.584 ( 6.941 -1.974 -0.674) 7.248 10.702 ( -0.246 -1.312 0.133) 1.342 10.706 ( -0.250 -1.235 -0.072) 1.262 10.785 ( -0.317 -1.859 -0.336) 1.915 10.801 ( 0.272 -2.143 -0.001) 2.160 11.130 ( -1.886 1.557 1.057) 2.664 11.168 ( -1.224 1.450 -0.950) 2.122 11.258 ( -1.654 4.277 1.131) 4.723 11.287 ( -1.911 4.490 -1.118) 5.006 11.410 ( -1.300 3.343 0.145) 3.589 11.444 ( -0.788 4.300 0.242) 4.378 11.513 ( -5.516 3.517 -0.630) 6.572 11.574 ( -7.233 5.689 0.120) 9.204 11.911 ( 0.979 -1.357 0.287) 1.697 12.003 ( 4.841 -1.914 2.342) 5.708 12.039 ( 8.805 -3.484 -5.869) 11.140 12.233 ( 10.883 -6.667 3.715) 13.293 ======================= Grid point 73 (31/52) ======================= q-point: ( 0.25 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 11.637 4.348 -5.961) 13.779 0.806 ( 6.620 8.672 -1.662) 11.036 0.889 ( 9.115 7.253 5.829) 13.025 0.917 ( 6.482 6.535 -1.739) 9.367 1.156 ( -1.361 4.801 1.990) 5.372 1.221 ( 5.628 2.492 -0.981) 6.233 1.323 ( 2.430 2.432 0.942) 3.565 1.353 ( 4.235 0.127 1.729) 4.576 1.389 ( -1.224 0.327 0.190) 1.281 1.425 ( 0.809 5.162 0.140) 5.227 1.473 ( -2.494 0.454 -1.866) 3.148 1.545 ( 5.747 1.747 -1.131) 6.112 1.555 ( -1.164 4.660 0.334) 4.814 1.584 ( 0.580 1.222 0.942) 1.649 1.634 ( 4.142 4.104 -0.777) 5.882 1.686 ( 2.419 -1.022 -0.546) 2.682 1.714 ( -1.181 3.774 0.843) 4.044 1.789 ( 1.427 1.033 -1.345) 2.216 1.984 ( 5.405 -1.332 -1.145) 5.683 2.035 ( 5.316 -1.925 1.832) 5.943 2.115 ( -0.127 0.042 -1.895) 1.900 2.195 ( 0.869 0.322 3.504) 3.624 2.337 ( -3.374 3.295 0.484) 4.741 2.401 ( 0.585 9.532 -1.859) 9.730 2.425 ( 0.688 1.412 0.880) 1.801 2.506 ( -2.044 5.364 -0.492) 5.761 2.633 ( 0.585 3.020 0.724) 3.160 2.648 ( 2.120 4.044 -0.868) 4.647 2.763 ( 1.075 0.653 -0.627) 1.406 2.790 ( 0.578 1.787 0.522) 1.949 2.949 ( -4.574 -0.819 1.170) 4.792 2.994 ( -5.345 -1.365 -1.279) 5.663 3.175 ( -2.481 1.429 -0.411) 2.893 3.229 ( -0.361 2.381 0.590) 2.480 3.351 ( -0.734 -2.177 0.143) 2.302 3.398 ( -3.886 -0.541 0.245) 3.932 3.583 ( 0.899 -3.248 0.646) 3.432 3.589 ( 2.671 -7.525 -0.807) 8.026 3.641 ( 0.819 1.676 -0.021) 1.866 3.683 ( -2.920 2.803 0.261) 4.056 3.826 ( 2.790 1.613 -0.793) 3.319 3.881 ( 1.049 -0.224 0.228) 1.097 4.050 ( 2.570 0.599 -0.198) 2.646 4.063 ( 2.265 -0.287 0.260) 2.298 4.320 ( 0.096 -0.143 -0.256) 0.308 4.391 ( -0.655 0.755 -0.091) 1.003 4.582 ( -4.686 -1.855 1.763) 5.339 4.627 ( -5.878 -1.831 -1.360) 6.305 5.048 ( 4.179 8.570 0.088) 9.535 5.052 ( 3.284 8.508 -0.035) 9.120 5.253 ( -1.622 0.936 -0.653) 1.983 5.280 ( -3.968 1.016 0.450) 4.121 5.420 ( -5.375 4.672 -0.301) 7.128 5.466 ( -6.316 4.986 0.157) 8.049 5.652 ( 0.329 -0.858 0.736) 1.177 5.669 ( -0.154 0.388 -0.587) 0.720 5.981 ( -5.997 -3.899 -0.559) 7.175 6.070 ( -3.096 -7.662 -0.001) 8.263 6.358 ( 2.053 -3.080 0.039) 3.702 6.396 ( -0.842 -3.342 3.629) 5.005 6.541 ( -2.296 1.531 0.850) 2.888 6.773 ( -1.973 -0.941 -6.768) 7.112 7.040 ( -3.697 -8.728 5.288) 10.854 7.123 ( -3.105 -6.389 -2.149) 7.422 7.575 ( 8.121 -2.574 -0.036) 8.519 7.611 ( 3.420 -2.015 -0.754) 4.041 7.652 ( 6.384 -2.520 0.601) 6.889 7.706 ( 4.833 -0.848 0.297) 4.916 10.693 ( -0.551 -1.664 -0.304) 1.780 10.701 ( -0.257 -1.865 0.270) 1.902 10.780 ( -0.164 -1.775 0.098) 1.785 10.798 ( -0.356 -1.819 -0.263) 1.872 11.101 ( -1.436 1.693 0.553) 2.288 11.133 ( -1.657 1.829 -0.392) 2.499 11.231 ( -1.514 4.289 0.426) 4.568 11.241 ( -2.202 4.151 -0.437) 4.720 11.394 ( -0.470 3.130 -0.031) 3.166 11.411 ( -1.729 3.648 0.073) 4.038 11.459 ( -1.298 3.032 0.162) 3.302 11.482 ( -3.043 4.805 -0.180) 5.691 11.953 ( 2.641 -1.407 0.712) 3.076 12.118 ( 5.439 -2.534 -4.095) 7.264 12.130 ( 4.083 -3.697 1.955) 5.845 12.395 ( 4.543 -7.018 1.736) 8.539 ======================= Grid point 74 (32/52) ======================= q-point: ( 0.38 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 8.665 5.950 -0.942) 10.553 0.976 ( 10.021 4.894 -1.094) 11.206 1.022 ( 5.281 5.984 -0.762) 8.018 1.083 ( 4.453 5.450 3.852) 8.023 1.120 ( 1.413 3.716 3.941) 5.597 1.265 ( -2.116 -0.805 -2.780) 3.585 1.310 ( -0.834 -0.362 -2.622) 2.775 1.347 ( -5.096 2.265 0.249) 5.582 1.367 ( -0.921 3.026 -0.033) 3.163 1.402 ( -0.119 2.869 0.461) 2.908 1.452 ( 0.745 0.014 0.901) 1.169 1.554 ( -4.737 4.910 -1.487) 6.983 1.570 ( -1.717 2.098 -0.811) 2.830 1.599 ( 1.752 3.271 1.737) 4.097 1.638 ( -2.813 1.733 1.471) 3.617 1.714 ( 5.713 5.416 0.079) 7.872 1.735 ( 0.833 1.557 -2.804) 3.314 1.875 ( 2.437 1.574 0.489) 2.942 2.090 ( 2.796 -0.208 0.990) 2.973 2.099 ( 1.376 0.639 -0.132) 1.523 2.125 ( 5.799 -2.027 -2.380) 6.588 2.236 ( 1.134 -1.084 2.908) 3.304 2.274 ( -2.770 -0.602 0.513) 2.881 2.370 ( -1.802 -0.406 -1.949) 2.685 2.451 ( -0.548 7.020 1.179) 7.139 2.479 ( -0.218 5.128 -0.977) 5.225 2.704 ( 5.070 2.141 0.175) 5.506 2.729 ( 5.641 1.665 -0.429) 5.897 2.783 ( 1.631 0.876 -0.928) 2.071 2.805 ( 1.310 0.218 0.764) 1.532 2.897 ( -2.618 -0.989 -0.307) 2.815 2.915 ( -1.714 -0.442 0.579) 1.863 3.130 ( -1.802 0.977 0.296) 2.071 3.187 ( -5.401 1.201 0.560) 5.561 3.326 ( -0.382 0.680 -0.114) 0.788 3.347 ( -2.970 0.524 -0.323) 3.033 3.555 ( -3.107 2.807 -0.041) 4.187 3.566 ( -1.532 2.441 0.055) 2.883 3.708 ( 5.492 -2.294 -0.181) 5.955 3.720 ( 4.808 -1.533 0.239) 5.052 3.856 ( 0.008 -1.979 0.367) 2.013 3.898 ( -0.194 -3.126 -0.510) 3.173 4.065 ( -0.409 0.170 0.292) 0.530 4.068 ( -0.668 0.144 -0.302) 0.747 4.317 ( 0.003 -1.151 0.904) 1.463 4.370 ( -0.610 -0.199 -0.795) 1.021 4.490 ( -5.031 -2.092 0.424) 5.465 4.518 ( -4.848 -0.936 -0.298) 4.946 5.107 ( 2.563 9.666 -0.279) 10.003 5.113 ( 2.311 10.533 0.409) 10.791 5.214 ( -1.966 2.233 -0.373) 2.998 5.230 ( -1.188 2.432 0.231) 2.716 5.373 ( 0.635 4.649 -0.092) 4.693 5.415 ( -0.061 4.540 0.101) 4.541 5.625 ( -3.284 1.190 -0.413) 3.517 5.633 ( -3.979 1.870 0.384) 4.413 5.892 ( -2.007 -6.875 0.317) 7.169 5.984 ( -3.989 -8.710 -1.241) 9.660 6.388 ( -0.633 -4.581 0.799) 4.693 6.409 ( 1.664 -5.981 0.828) 6.264 6.568 ( 2.728 1.219 3.401) 4.527 6.706 ( 0.387 -0.155 -5.784) 5.799 6.972 ( -5.964 -6.644 3.850) 9.723 7.025 ( -5.029 -4.680 -2.103) 7.184 7.661 ( 1.791 -1.770 0.595) 2.588 7.672 ( 2.941 -2.650 -0.253) 3.967 7.728 ( 2.321 -2.875 -1.695) 4.065 7.760 ( 0.327 -3.170 1.375) 3.471 10.684 ( -0.209 -2.263 -0.043) 2.273 10.697 ( -0.235 -2.535 -0.037) 2.546 10.778 ( -0.228 -1.671 0.304) 1.713 10.789 ( -0.336 -1.510 -0.262) 1.569 11.086 ( -0.486 1.768 0.322) 1.862 11.107 ( -0.838 2.151 -0.278) 2.326 11.203 ( -1.375 3.438 -0.204) 3.708 11.208 ( -1.086 3.983 0.158) 4.131 11.390 ( 0.079 3.311 -0.106) 3.314 11.397 ( -0.020 3.143 0.124) 3.145 11.437 ( -1.338 3.650 0.375) 3.906 11.441 ( -1.129 3.332 -0.356) 3.536 12.006 ( 1.940 -1.455 1.446) 2.823 12.135 ( 1.237 -2.859 -5.596) 6.405 12.244 ( 3.788 -2.901 5.536) 7.308 12.447 ( 1.130 -5.452 -1.333) 5.726 ======================= Grid point 75 (33/52) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 5.865 3.802 3.962) 8.034 1.025 ( -3.495 4.216 0.585) 5.507 1.084 ( -3.519 2.896 -0.829) 4.633 1.115 ( 0.768 4.273 -3.154) 5.366 1.193 ( -2.179 7.348 2.582) 8.087 1.220 ( 3.541 3.237 0.092) 4.799 1.276 ( 1.447 3.309 -0.572) 3.656 1.291 ( 0.113 2.726 -1.549) 3.138 1.386 ( 1.630 3.182 0.967) 3.704 1.422 ( -4.062 2.708 -2.376) 5.430 1.439 ( 0.739 0.342 4.548) 4.621 1.494 ( -0.554 3.644 0.736) 3.759 1.523 ( -2.193 1.062 -1.219) 2.724 1.567 ( 0.966 -3.077 -4.341) 5.408 1.639 ( -0.882 1.586 3.481) 3.925 1.720 ( 2.274 2.938 -4.434) 5.784 1.832 ( 4.360 4.650 1.558) 6.562 1.846 ( -4.631 3.956 0.475) 6.109 2.105 ( -0.662 0.172 1.013) 1.222 2.136 ( 1.873 -0.024 -2.021) 2.756 2.212 ( -3.370 -1.789 0.420) 3.838 2.215 ( 2.088 -2.244 -0.044) 3.065 2.279 ( 0.226 -1.077 2.604) 2.827 2.329 ( 0.403 -1.133 -2.020) 2.351 2.446 ( -0.474 6.306 1.044) 6.409 2.470 ( 0.238 6.159 -1.184) 6.276 2.752 ( 0.534 2.593 0.994) 2.828 2.773 ( -0.507 2.165 -0.925) 2.408 2.830 ( -1.036 -1.072 0.054) 1.492 2.845 ( 0.443 -0.702 -1.324) 1.562 2.877 ( 1.510 -0.622 1.132) 1.987 2.889 ( -1.079 -0.455 -0.000) 1.171 3.099 ( -1.698 0.434 1.723) 2.458 3.133 ( 1.955 0.282 -1.450) 2.451 3.277 ( -1.734 1.681 2.531) 3.499 3.332 ( 1.724 1.681 -2.621) 3.560 3.540 ( 0.362 3.684 0.343) 3.718 3.546 ( -0.556 4.043 -0.183) 4.085 3.789 ( 0.293 -0.710 0.315) 0.830 3.795 ( -0.596 -0.486 -0.329) 0.836 3.837 ( 0.612 -4.954 1.327) 5.165 3.863 ( -0.342 -4.841 -1.140) 4.985 4.058 ( -0.452 0.620 0.539) 0.938 4.069 ( 0.473 0.267 -0.507) 0.743 4.329 ( 0.280 -1.889 1.327) 2.326 4.357 ( -0.187 -0.870 -1.229) 1.517 4.437 ( -0.508 -1.605 1.094) 2.008 4.460 ( 0.414 -1.425 -1.048) 1.817 5.147 ( -2.154 10.716 0.232) 10.933 5.155 ( 1.871 10.642 -0.460) 10.815 5.183 ( 2.166 4.508 0.698) 5.050 5.194 ( -1.818 4.573 -0.302) 4.930 5.412 ( 0.976 4.112 0.579) 4.265 5.425 ( -1.003 4.501 -0.599) 4.650 5.569 ( -0.104 0.478 0.118) 0.503 5.572 ( 0.118 0.517 -0.174) 0.558 5.894 ( 0.888 -7.920 1.247) 8.067 5.930 ( -0.924 -8.791 -2.092) 9.083 6.371 ( -1.633 -5.333 3.377) 6.521 6.432 ( 1.305 -5.133 -2.361) 5.798 6.630 ( -0.306 -0.067 2.881) 2.898 6.710 ( 1.456 -1.142 -4.829) 5.172 6.907 ( -1.621 -4.168 3.124) 5.455 6.953 ( 0.900 -3.897 -1.586) 4.302 7.673 ( -1.239 -1.302 1.534) 2.363 7.706 ( 0.983 -1.947 -1.510) 2.653 7.747 ( 0.140 -4.317 0.374) 4.335 7.755 ( -0.006 -3.996 -0.304) 4.007 10.685 ( 0.218 -2.651 0.280) 2.674 10.692 ( -0.231 -2.774 -0.347) 2.805 10.777 ( -0.024 -1.532 0.349) 1.572 10.784 ( 0.060 -1.451 -0.294) 1.482 11.085 ( 0.040 1.940 0.464) 1.995 11.095 ( -0.075 2.032 -0.492) 2.092 11.192 ( 0.210 3.433 0.168) 3.444 11.195 ( -0.177 3.743 -0.151) 3.750 11.394 ( 0.202 3.366 0.155) 3.376 11.397 ( -0.221 3.489 -0.151) 3.499 11.423 ( -0.102 3.142 0.290) 3.157 11.429 ( 0.115 3.180 -0.268) 3.194 12.040 ( 0.257 -1.587 2.429) 2.913 12.108 ( -0.764 -2.121 -4.410) 4.953 12.333 ( 1.839 -3.595 5.678) 6.967 12.429 ( -1.324 -4.437 -3.697) 5.925 ======================= Grid point 76 (34/52) ======================= q-point: (-0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -11.047 4.258 -4.904) 12.815 0.943 ( -6.574 2.916 2.483) 7.608 1.028 ( -9.513 7.176 -0.462) 11.925 1.113 ( -1.557 6.507 0.980) 6.762 1.154 ( 0.098 2.083 3.296) 3.900 1.241 ( 3.657 1.167 -3.007) 4.876 1.293 ( -0.755 3.675 -1.624) 4.088 1.350 ( 3.084 1.640 1.423) 3.772 1.372 ( 1.243 2.819 -0.198) 3.087 1.390 ( -1.588 0.264 0.121) 1.614 1.451 ( -2.236 1.283 0.610) 2.649 1.505 ( 4.231 3.806 2.412) 6.181 1.547 ( 2.166 4.577 0.556) 5.094 1.613 ( 3.136 -0.438 -0.935) 3.301 1.652 ( 1.436 1.082 1.865) 2.590 1.725 ( -4.845 4.853 -1.580) 7.037 1.749 ( -0.872 2.828 -2.905) 4.147 1.868 ( -2.587 2.354 1.062) 3.656 2.092 ( -0.755 0.258 0.515) 0.950 2.097 ( -6.954 -1.247 0.313) 7.072 2.119 ( -1.952 -0.113 -1.838) 2.684 2.243 ( -1.085 -2.362 1.651) 3.079 2.295 ( 2.105 -0.457 0.539) 2.221 2.356 ( 1.748 0.704 -1.754) 2.575 2.450 ( 0.533 5.106 1.366) 5.313 2.475 ( 0.278 6.452 -0.884) 6.518 2.709 ( -6.217 1.091 -0.060) 6.312 2.718 ( -5.157 2.409 0.248) 5.697 2.776 ( -0.865 1.808 -0.274) 2.023 2.812 ( -1.744 -0.081 0.094) 1.749 2.882 ( 2.493 -0.682 0.572) 2.647 2.932 ( 2.260 -1.004 -0.444) 2.513 3.144 ( 3.864 0.810 -0.821) 4.033 3.176 ( 2.689 1.461 1.465) 3.393 3.333 ( 2.943 0.184 -0.593) 3.007 3.343 ( 1.010 0.934 -0.082) 1.378 3.557 ( 2.662 2.721 -0.207) 3.812 3.564 ( 2.079 2.706 0.259) 3.422 3.707 ( -5.408 -2.486 -0.112) 5.953 3.720 ( -4.897 -1.480 0.238) 5.121 3.874 ( -0.629 -2.723 -1.241) 3.058 3.880 ( 0.586 -2.583 1.133) 2.881 4.052 ( -0.371 0.574 0.465) 0.827 4.081 ( 1.371 -0.173 -0.476) 1.462 4.345 ( 0.372 -0.495 0.793) 1.006 4.347 ( 0.440 -0.705 -1.018) 1.314 4.478 ( 3.862 -1.329 0.872) 4.176 4.527 ( 5.932 -1.906 -0.594) 6.259 5.101 ( -2.175 9.751 0.187) 9.993 5.121 ( -2.629 10.586 -0.162) 10.909 5.212 ( 1.405 1.859 -0.195) 2.338 5.232 ( 1.608 2.775 0.056) 3.208 5.381 ( -0.627 4.648 -0.794) 4.757 5.407 ( 0.005 4.746 0.805) 4.813 5.618 ( 3.018 1.060 0.175) 3.203 5.639 ( 4.192 1.931 -0.121) 4.616 5.919 ( 2.052 -7.933 -2.174) 8.477 5.946 ( 3.887 -7.308 1.950) 8.504 6.353 ( -2.519 -5.523 1.820) 6.338 6.449 ( 1.114 -4.829 -0.675) 5.001 6.589 ( -3.549 1.541 3.518) 5.229 6.698 ( 2.589 -2.368 -6.755) 7.612 6.955 ( 3.264 -4.432 3.995) 6.802 7.038 ( 6.635 -5.917 -1.857) 9.082 7.643 ( -2.572 -1.149 1.028) 2.998 7.691 ( -1.933 -2.724 -0.698) 3.412 7.708 ( -3.531 -3.190 0.015) 4.759 7.776 ( 0.476 -3.295 -0.123) 3.332 10.686 ( -0.007 -2.326 -0.316) 2.347 10.694 ( 0.428 -2.451 0.309) 2.507 10.781 ( 0.247 -1.548 0.281) 1.593 10.787 ( 0.377 -1.662 -0.344) 1.739 11.089 ( 0.301 1.763 0.235) 1.804 11.103 ( 1.057 2.140 -0.165) 2.392 11.201 ( 0.966 3.494 -0.037) 3.625 11.210 ( 1.438 3.975 -0.013) 4.227 11.389 ( -0.279 3.264 -0.088) 3.277 11.398 ( 0.213 3.202 0.098) 3.210 11.434 ( 1.002 3.037 0.292) 3.211 11.444 ( 1.472 3.910 -0.280) 4.187 12.044 ( -1.822 -1.884 3.430) 4.317 12.054 ( -2.256 -1.731 -3.292) 4.350 12.352 ( -3.668 -4.111 -4.947) 7.404 12.383 ( -0.236 -4.989 4.805) 6.930 ======================= Grid point 77 (35/52) ======================= q-point: (-0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -13.289 5.918 -2.254) 14.721 0.792 ( -9.324 12.019 -0.781) 15.232 0.881 ( -5.657 3.724 2.370) 7.176 0.991 ( -6.511 7.157 -3.129) 10.169 1.144 ( -6.124 3.461 1.334) 7.160 1.270 ( -3.217 2.820 -2.409) 4.910 1.297 ( -1.037 1.684 1.914) 2.752 1.363 ( 1.251 1.072 0.310) 1.677 1.375 ( -2.772 3.680 3.287) 5.660 1.398 ( 0.494 -0.989 0.595) 1.256 1.443 ( 1.660 1.691 0.268) 2.385 1.524 ( -4.921 4.658 -0.757) 6.818 1.580 ( 0.358 4.310 -0.859) 4.409 1.614 ( -3.691 0.966 0.599) 3.862 1.644 ( -2.831 1.269 -2.634) 4.070 1.667 ( 1.415 3.096 0.580) 3.453 1.717 ( 0.239 -0.313 0.974) 1.051 1.792 ( -0.571 2.977 -1.679) 3.466 1.974 ( -5.530 -1.878 -0.183) 5.843 2.058 ( -5.413 -2.002 -0.056) 5.772 2.090 ( -0.556 0.849 0.475) 1.120 2.222 ( -0.594 -0.863 1.148) 1.554 2.355 ( -1.542 5.405 0.789) 5.676 2.368 ( 5.210 3.809 -0.804) 6.504 2.437 ( -1.472 6.538 -0.350) 6.711 2.496 ( 1.933 4.552 0.172) 4.948 2.628 ( -2.039 4.029 0.887) 4.602 2.646 ( -0.394 2.736 -0.628) 2.834 2.754 ( -1.086 1.893 0.021) 2.183 2.799 ( -0.431 1.066 -0.131) 1.157 2.965 ( 5.330 -1.325 1.367) 5.660 2.984 ( 4.400 -1.167 -1.907) 4.936 3.183 ( 0.957 1.847 -1.039) 2.325 3.229 ( 1.946 1.984 0.737) 2.875 3.343 ( 1.539 -1.429 0.584) 2.179 3.408 ( 3.129 -1.377 -0.283) 3.430 3.574 ( -2.875 -6.446 0.442) 7.072 3.598 ( -0.788 -4.462 -0.657) 4.578 3.645 ( -0.005 1.803 -0.342) 1.835 3.675 ( 1.761 2.451 0.816) 3.126 3.827 ( -2.995 1.051 -1.012) 3.331 3.872 ( -1.227 0.812 1.003) 1.781 4.023 ( -3.862 1.572 0.958) 4.278 4.091 ( -0.727 -1.110 -0.936) 1.624 4.333 ( -0.999 0.184 -1.466) 1.784 4.375 ( 1.164 0.375 1.243) 1.744 4.584 ( 6.031 -1.674 1.486) 6.433 4.632 ( 4.971 -2.295 -1.504) 5.678 5.044 ( -3.677 8.371 0.170) 9.144 5.059 ( -3.733 8.843 -0.274) 9.603 5.249 ( 2.042 1.273 -0.332) 2.429 5.281 ( 3.390 0.667 0.341) 3.472 5.420 ( 5.300 4.992 -0.313) 7.288 5.463 ( 6.370 4.653 0.369) 7.897 5.650 ( 0.330 -0.344 0.718) 0.861 5.672 ( -0.446 -0.110 -0.598) 0.754 5.988 ( 5.409 -4.358 -1.220) 7.052 6.050 ( 3.858 -5.847 1.631) 7.193 6.314 ( -2.888 -4.359 2.131) 5.647 6.455 ( 2.373 -1.186 0.158) 2.658 6.605 ( 2.269 -2.276 -0.152) 3.217 6.724 ( 3.771 -1.416 -6.088) 7.300 7.049 ( 2.972 -6.505 4.839) 8.635 7.122 ( 2.944 -7.745 -2.422) 8.633 7.575 ( -8.968 -0.806 0.054) 9.004 7.593 ( -3.557 -2.450 0.373) 4.335 7.644 ( -4.183 -2.161 0.701) 4.760 7.735 ( -5.249 -2.784 -1.169) 6.056 10.689 ( 0.405 -1.656 0.001) 1.705 10.703 ( 0.394 -1.848 0.077) 1.891 10.787 ( 0.165 -1.885 -0.377) 1.929 10.792 ( 0.306 -1.718 0.154) 1.752 11.105 ( 1.242 1.406 0.406) 1.919 11.130 ( 1.859 2.195 -0.337) 2.896 11.228 ( 1.547 3.878 0.439) 4.198 11.244 ( 2.264 4.433 -0.404) 4.994 11.391 ( 0.478 3.302 0.154) 3.340 11.414 ( 1.839 3.805 -0.111) 4.227 11.457 ( 0.931 2.808 0.253) 2.969 11.484 ( 3.182 4.846 -0.265) 5.804 11.984 ( -2.974 -1.600 -2.348) 4.113 12.012 ( -4.070 -1.932 4.081) 6.079 12.228 ( -5.903 -3.925 -5.293) 8.847 12.382 ( -2.893 -7.811 3.317) 8.966 ======================= Grid point 78 (36/52) ======================= q-point: (-0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -5.866 10.570 4.160) 12.784 0.646 ( -7.393 17.121 3.991) 19.072 0.751 ( -8.426 9.510 -2.526) 12.955 0.858 ( -6.349 8.161 -5.968) 11.938 0.945 ( -17.205 14.439 2.764) 22.630 1.022 ( -9.781 3.749 3.897) 11.176 1.290 ( -1.503 1.755 1.519) 2.765 1.354 ( 3.162 1.638 -1.873) 4.024 1.378 ( -1.745 2.320 -1.336) 3.196 1.421 ( 1.318 -0.250 -0.644) 1.488 1.465 ( 0.984 -0.306 -0.563) 1.174 1.488 ( -0.581 0.532 0.643) 1.017 1.535 ( -2.496 1.497 -1.223) 3.157 1.585 ( -0.722 0.538 -0.461) 1.012 1.609 ( 1.784 2.018 -0.106) 2.696 1.702 ( 0.280 0.977 -1.816) 2.081 1.732 ( 1.432 1.935 1.477) 2.824 1.803 ( 0.670 1.891 -0.358) 2.038 1.873 ( -5.348 -1.296 1.138) 5.619 1.915 ( -7.309 -2.410 -0.712) 7.729 2.092 ( -0.042 1.047 1.425) 1.769 2.209 ( -1.221 -0.268 -1.734) 2.138 2.315 ( -2.787 10.390 2.790) 11.113 2.419 ( 0.075 5.344 -2.234) 5.793 2.496 ( 8.500 8.726 -2.324) 12.401 2.572 ( 5.132 7.357 1.708) 9.131 2.632 ( 2.471 8.679 0.896) 9.068 2.682 ( 3.577 2.139 -0.278) 4.177 2.758 ( 3.190 3.790 0.065) 4.955 2.801 ( 1.927 2.893 -0.276) 3.487 3.074 ( 5.448 -3.735 -0.718) 6.644 3.110 ( 9.204 -2.508 0.987) 9.590 3.210 ( 1.956 1.283 0.725) 2.449 3.263 ( 1.142 -0.810 -1.528) 2.073 3.352 ( -1.584 -2.172 -1.383) 3.023 3.431 ( -2.502 -3.543 2.204) 4.866 3.518 ( -2.094 -5.838 -0.475) 6.220 3.547 ( -2.299 -6.214 -0.101) 6.627 3.665 ( -1.332 -0.280 -1.638) 2.130 3.690 ( -3.136 4.881 4.698) 7.465 3.769 ( -0.918 3.046 -1.694) 3.604 3.852 ( -2.154 0.989 0.700) 2.471 3.927 ( -5.292 2.714 0.329) 5.957 4.026 ( -5.672 -4.468 -1.958) 7.481 4.284 ( -2.734 2.383 -0.087) 3.628 4.374 ( -2.478 2.209 0.154) 3.324 4.685 ( 4.249 -1.666 -0.944) 4.661 4.727 ( 5.731 -1.697 0.553) 6.003 4.969 ( -4.050 7.863 0.013) 8.844 5.006 ( -1.427 7.654 -0.362) 7.795 5.286 ( 3.097 4.741 0.054) 5.663 5.342 ( 3.987 4.296 -0.065) 5.861 5.529 ( 2.692 1.861 -0.160) 3.276 5.625 ( 4.836 0.580 0.297) 4.880 5.656 ( 0.919 -1.574 -0.129) 1.827 5.669 ( 4.353 -0.842 -0.480) 4.459 6.067 ( 2.739 -2.953 -0.056) 4.028 6.091 ( 1.143 -3.704 0.491) 3.907 6.247 ( -5.746 0.170 2.816) 6.401 6.523 ( -3.747 -4.592 -12.051) 13.430 6.626 ( 7.276 -0.423 1.222) 7.390 6.772 ( 2.703 -0.242 -0.613) 2.782 7.064 ( -5.186 -11.220 2.586) 12.628 7.138 ( 0.025 -5.331 -0.310) 5.340 7.375 ( -9.465 1.792 -0.835) 9.669 7.507 ( -10.352 -1.956 0.630) 10.554 7.541 ( -3.997 -1.691 -0.743) 4.404 7.579 ( -6.610 -1.309 -0.333) 6.747 10.699 ( 0.407 -1.192 0.208) 1.277 10.709 ( 0.211 -1.346 -0.151) 1.371 10.783 ( -0.141 -1.923 -0.248) 1.944 10.798 ( 0.038 -1.853 0.220) 1.866 11.136 ( 1.206 1.236 0.969) 1.980 11.163 ( 1.765 1.777 -0.940) 2.675 11.259 ( 1.087 4.634 1.032) 4.870 11.289 ( 2.648 3.416 -1.234) 4.495 11.409 ( 1.156 3.280 0.220) 3.485 11.463 ( 0.455 3.640 -1.150) 3.845 11.494 ( 6.701 5.984 0.825) 9.022 11.573 ( 6.175 5.023 0.194) 7.963 11.925 ( -1.693 -1.550 -1.107) 2.549 11.948 ( -3.982 -1.176 2.748) 4.979 12.070 ( -7.361 -3.240 -3.588) 8.807 12.280 ( -10.389 -10.902 -0.044) 15.060 ======================= Grid point 79 (37/52) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 2.158 11.955 7.129) 14.086 0.749 ( -4.533 14.318 2.403) 15.209 0.873 ( 1.318 11.634 -3.982) 12.367 0.908 ( 1.804 7.105 -6.914) 10.076 1.212 ( 0.507 9.083 3.563) 9.770 1.265 ( -0.354 13.155 -1.190) 13.213 1.310 ( -3.599 0.994 3.895) 5.395 1.364 ( 0.036 -2.735 -1.033) 2.924 1.405 ( -0.088 1.761 -0.145) 1.770 1.406 ( 3.112 3.363 -0.355) 4.596 1.475 ( -0.178 -0.613 1.319) 1.465 1.503 ( 0.524 -1.009 0.135) 1.145 1.555 ( -0.800 0.929 0.065) 1.228 1.603 ( 1.273 3.376 -0.916) 3.722 1.643 ( -0.733 -4.510 -0.143) 4.572 1.650 ( 0.098 -1.812 -3.133) 3.620 1.734 ( -0.338 0.407 0.214) 0.571 1.750 ( 0.342 -0.462 -1.250) 1.375 1.855 ( -1.820 1.889 2.877) 3.893 1.901 ( 1.517 1.832 -1.637) 2.887 2.139 ( -0.169 2.241 2.120) 3.090 2.192 ( -0.099 1.923 -2.810) 3.406 2.376 ( 0.092 -2.431 0.749) 2.545 2.386 ( -0.240 -2.599 0.054) 2.611 2.747 ( 0.178 3.255 0.775) 3.351 2.763 ( -0.461 5.401 -0.997) 5.512 2.779 ( 0.354 8.046 0.622) 8.078 2.799 ( 0.093 6.021 -0.806) 6.075 2.931 ( 0.094 -0.473 0.929) 1.046 2.960 ( 0.996 -1.346 -1.759) 2.428 3.023 ( -3.326 -4.535 0.996) 5.711 3.032 ( 2.118 -5.260 0.009) 5.671 3.222 ( -0.365 -0.304 1.017) 1.122 3.244 ( -0.532 -1.068 -0.985) 1.547 3.291 ( 1.789 -3.008 1.714) 3.897 3.330 ( -0.914 -1.782 -1.912) 2.769 3.516 ( 2.287 0.708 1.876) 3.042 3.550 ( -5.596 0.244 -1.364) 5.765 3.578 ( -4.755 -0.077 0.692) 4.805 3.591 ( 8.349 -0.649 -0.524) 8.390 3.865 ( -0.797 6.828 0.552) 6.896 3.882 ( 1.040 6.471 -0.984) 6.627 3.957 ( -1.638 2.763 1.212) 3.433 3.978 ( 1.155 3.131 -0.771) 3.425 4.361 ( 1.258 4.131 2.559) 5.020 4.416 ( -1.303 4.826 -2.504) 5.591 4.692 ( 0.832 -4.701 1.092) 4.897 4.714 ( -0.673 -4.079 -0.950) 4.242 5.092 ( 0.459 7.250 0.220) 7.268 5.098 ( -0.505 6.332 -0.286) 6.359 5.465 ( 0.407 -3.584 0.732) 3.680 5.480 ( -1.300 -3.241 -0.746) 3.571 5.533 ( 2.518 5.634 3.256) 6.978 5.605 ( -2.944 2.829 -3.485) 5.368 5.685 ( 1.917 -1.084 0.373) 2.234 5.689 ( -0.663 -1.552 0.047) 1.688 6.164 ( -0.113 3.622 3.713) 5.188 6.214 ( -0.180 3.601 -0.008) 3.605 6.219 ( 0.784 3.544 0.280) 3.640 6.306 ( 0.188 2.020 -7.470) 7.740 6.703 ( -1.446 -1.577 0.306) 2.162 6.714 ( 0.883 -1.436 -0.687) 1.821 6.908 ( -0.302 -6.085 4.309) 7.463 6.971 ( 0.445 -6.739 -2.061) 7.061 7.350 ( 2.019 0.793 0.817) 2.318 7.369 ( -2.306 0.479 -0.951) 2.540 7.445 ( 0.546 -3.434 0.346) 3.495 7.451 ( -0.350 -3.587 -0.200) 3.610 10.678 ( -0.018 -1.107 0.154) 1.118 10.682 ( -0.003 -1.154 -0.172) 1.167 10.736 ( 0.392 -2.675 0.339) 2.725 10.742 ( -0.321 -2.743 -0.254) 2.773 11.198 ( -0.415 2.741 1.102) 2.983 11.223 ( 0.490 2.408 -1.337) 2.797 11.317 ( -0.458 0.349 1.169) 1.303 11.338 ( 0.356 0.192 -0.912) 0.998 11.541 ( -0.708 5.132 0.169) 5.184 11.545 ( 0.655 5.638 -0.109) 5.677 11.686 ( -0.715 2.257 2.137) 3.189 11.737 ( 1.215 1.158 -2.605) 3.099 11.874 ( 1.271 -2.497 0.454) 2.838 11.888 ( -2.222 -2.226 -1.016) 3.305 11.949 ( 3.143 -1.475 1.181) 3.667 11.968 ( -2.727 -1.287 -0.655) 3.086 ======================= Grid point 80 (38/52) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 1.782 12.841 -1.997) 13.117 0.815 ( 2.423 7.109 4.758) 8.891 0.919 ( 6.169 9.694 -0.543) 11.504 1.029 ( 9.577 9.167 -3.933) 13.828 1.260 ( 2.963 3.545 1.473) 4.849 1.279 ( 2.634 9.908 3.506) 10.835 1.300 ( 1.399 6.676 -1.296) 6.943 1.344 ( -1.369 -1.608 0.120) 2.115 1.396 ( 0.007 0.406 -1.658) 1.707 1.469 ( 3.509 2.438 -0.923) 4.371 1.487 ( -0.229 -1.358 1.262) 1.868 1.520 ( 1.090 -2.974 -2.288) 3.907 1.550 ( 1.531 6.393 3.082) 7.261 1.623 ( 0.370 1.776 0.766) 1.969 1.660 ( 2.010 -2.038 -1.194) 3.101 1.675 ( 3.233 2.830 -3.139) 5.322 1.716 ( 2.936 -1.051 0.812) 3.223 1.808 ( 2.231 0.449 0.211) 2.286 1.853 ( 1.828 -1.427 1.648) 2.845 1.924 ( 1.804 1.622 -1.283) 2.744 2.146 ( -0.428 1.822 1.511) 2.405 2.184 ( 0.463 1.805 -0.746) 2.008 2.358 ( -1.278 -2.926 -0.345) 3.212 2.409 ( 1.214 -2.010 0.462) 2.394 2.684 ( -5.514 4.355 -0.291) 7.032 2.735 ( -5.241 4.527 0.211) 6.929 2.763 ( -0.924 5.523 -0.392) 5.614 2.772 ( -1.640 5.480 0.197) 5.724 2.843 ( -4.893 4.344 -0.169) 6.546 2.871 ( -3.919 2.065 -0.057) 4.430 2.971 ( -3.113 -3.675 0.205) 4.821 3.041 ( -3.645 -4.112 0.076) 5.495 3.210 ( 1.518 -0.160 -0.150) 1.534 3.277 ( -0.721 -0.562 -0.021) 0.914 3.322 ( -0.567 -4.608 -1.081) 4.767 3.365 ( 2.726 -1.034 1.210) 3.157 3.440 ( -2.523 -0.883 0.024) 2.673 3.462 ( -0.120 1.403 0.102) 1.412 3.651 ( 5.056 -0.156 0.326) 5.068 3.763 ( 4.208 -3.050 -0.014) 5.197 3.863 ( 0.364 6.134 0.282) 6.152 3.896 ( 0.310 6.348 -0.649) 6.388 3.984 ( 4.570 2.760 0.224) 5.344 4.020 ( 3.355 2.562 -0.098) 4.223 4.382 ( -0.194 4.337 -2.041) 4.797 4.422 ( 2.283 3.469 2.193) 4.696 4.625 ( -5.961 -3.278 -0.573) 6.827 4.666 ( -4.266 -4.225 0.289) 6.011 5.131 ( 3.305 6.518 -0.293) 7.314 5.142 ( 3.515 6.184 0.331) 7.121 5.408 ( -4.657 4.346 -0.264) 6.375 5.434 ( -3.281 1.702 0.340) 3.712 5.533 ( -0.976 -1.079 -0.697) 1.613 5.594 ( -1.081 -0.989 0.784) 1.661 5.647 ( -0.943 1.657 1.115) 2.209 5.689 ( -2.567 1.108 -1.229) 3.054 6.034 ( -8.078 1.217 0.173) 8.171 6.049 ( -6.713 -0.542 -0.054) 6.735 6.290 ( 0.666 -0.186 2.459) 2.554 6.363 ( -0.957 -2.513 -3.691) 4.567 6.634 ( -3.744 0.293 0.029) 3.756 6.758 ( 1.747 -2.392 -1.429) 3.289 6.864 ( -3.110 -7.044 2.533) 8.106 6.997 ( 0.354 -7.748 -0.581) 7.778 7.400 ( 5.861 0.023 -1.135) 5.970 7.460 ( 6.811 -1.522 1.346) 7.107 7.497 ( 4.431 -2.437 -0.648) 5.099 7.530 ( 7.291 -2.840 0.439) 7.837 10.673 ( -0.546 -1.139 0.098) 1.267 10.676 ( -0.541 -1.231 -0.074) 1.346 10.735 ( -0.191 -2.620 -0.295) 2.644 10.746 ( 0.302 -2.840 0.201) 2.863 11.179 ( -1.776 2.726 0.605) 3.309 11.210 ( -1.118 2.374 -0.717) 2.720 11.303 ( -1.488 0.410 1.021) 1.850 11.321 ( -1.449 -0.006 -0.855) 1.682 11.526 ( -0.968 6.076 0.227) 6.156 11.551 ( -0.112 4.997 -0.042) 4.998 11.610 ( -5.049 4.852 -0.013) 7.002 11.687 ( -4.732 4.260 -0.161) 6.369 11.876 ( 1.188 -1.542 -0.023) 1.946 11.941 ( 4.582 -3.449 1.713) 5.986 11.975 ( 4.885 -2.457 -2.983) 6.229 12.097 ( 7.673 -5.728 1.260) 9.658 ======================= Grid point 81 (39/52) ======================= q-point: ( 0.25 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 8.453 9.635 -3.799) 13.368 0.917 ( 5.697 4.748 3.933) 8.395 1.017 ( 3.629 6.370 0.790) 7.374 1.111 ( 3.106 7.420 -1.957) 8.279 1.253 ( -3.782 3.086 1.183) 5.023 1.302 ( 0.021 2.305 1.050) 2.533 1.346 ( 0.802 -1.451 -0.110) 1.662 1.376 ( 0.669 4.649 -2.108) 5.148 1.415 ( 2.935 3.344 0.064) 4.449 1.480 ( -0.213 -0.893 0.739) 1.178 1.539 ( -0.305 2.609 -2.852) 3.878 1.554 ( 2.805 -1.561 0.873) 3.327 1.597 ( 2.333 0.785 0.614) 2.537 1.641 ( 0.998 -0.300 2.433) 2.647 1.704 ( 5.545 4.558 -0.157) 7.179 1.773 ( 2.596 6.789 1.064) 7.346 1.790 ( 5.300 4.398 -4.299) 8.119 1.814 ( 1.332 1.766 1.565) 2.710 1.945 ( 5.733 -3.244 -1.308) 6.716 1.989 ( 5.715 -0.846 1.234) 5.908 2.144 ( -0.170 2.418 -0.006) 2.424 2.193 ( -0.008 0.124 1.889) 1.894 2.318 ( -2.738 -1.994 -0.346) 3.405 2.413 ( -1.441 -1.640 -0.871) 2.350 2.603 ( -1.355 4.404 0.895) 4.693 2.633 ( -3.077 5.217 -0.718) 6.099 2.728 ( -0.889 5.896 -1.631) 6.181 2.745 ( -1.288 5.858 1.227) 6.122 2.811 ( 0.005 2.934 0.264) 2.945 2.835 ( -0.304 1.734 -0.237) 1.776 2.921 ( -2.605 -1.801 1.050) 3.336 2.958 ( -3.887 -1.843 -1.033) 4.424 3.207 ( -3.638 0.836 -0.049) 3.734 3.258 ( 2.992 -1.883 -0.247) 3.543 3.322 ( -4.352 -0.214 0.773) 4.425 3.348 ( 0.369 -5.813 -0.484) 5.845 3.444 ( 2.135 -0.995 0.050) 2.356 3.503 ( 2.669 -1.423 0.181) 3.030 3.716 ( 1.734 0.615 0.172) 1.848 3.777 ( -1.131 0.465 -0.143) 1.231 3.859 ( -1.637 4.792 0.294) 5.072 3.879 ( -1.885 4.794 -0.251) 5.157 4.068 ( 2.534 1.219 -0.600) 2.875 4.079 ( 1.940 1.604 0.509) 2.568 4.374 ( 0.086 4.022 -0.588) 4.066 4.444 ( -1.145 3.630 -0.096) 3.807 4.522 ( -4.463 -3.323 0.752) 5.615 4.571 ( -4.969 -2.957 -0.164) 5.785 5.182 ( 2.420 4.319 -0.290) 4.959 5.210 ( 3.226 4.294 0.330) 5.381 5.362 ( 0.030 8.264 0.281) 8.269 5.392 ( -1.165 7.177 -0.499) 7.288 5.483 ( -3.697 1.210 0.148) 3.892 5.518 ( -4.271 -0.163 -0.063) 4.275 5.642 ( 0.195 1.114 -0.933) 1.467 5.689 ( 2.036 1.571 0.988) 2.755 5.913 ( -7.090 -1.623 -0.666) 7.304 5.934 ( -5.689 -4.039 0.658) 7.007 6.267 ( -1.891 -5.679 -0.130) 5.987 6.290 ( -3.486 -6.344 0.782) 7.281 6.580 ( -1.241 2.260 -0.266) 2.592 6.735 ( -2.139 -2.430 -3.313) 4.632 6.836 ( -2.288 -8.849 4.176) 10.049 6.967 ( -2.717 -8.078 -1.100) 8.594 7.518 ( 5.464 -2.387 -0.333) 5.972 7.561 ( 3.472 -2.337 -0.248) 4.193 7.598 ( 5.171 -2.572 -0.109) 5.776 7.653 ( 3.815 -3.583 0.674) 5.277 10.658 ( -0.919 -1.241 -0.209) 1.558 10.663 ( -0.764 -1.344 0.170) 1.555 10.732 ( -0.064 -2.569 0.046) 2.570 10.748 ( -0.131 -2.799 -0.096) 2.804 11.149 ( -1.359 2.608 0.137) 2.944 11.181 ( -1.392 2.515 -0.022) 2.875 11.275 ( -1.933 -0.041 0.036) 1.933 11.285 ( -1.562 0.530 -0.115) 1.653 11.508 ( -1.028 6.088 0.317) 6.182 11.530 ( -2.575 6.422 -0.556) 6.941 11.544 ( -0.940 4.752 0.239) 4.850 11.607 ( -3.334 6.116 0.067) 6.966 11.921 ( 2.832 -1.159 0.561) 3.111 12.033 ( 3.803 -4.191 -2.353) 6.129 12.060 ( 5.207 -3.386 1.260) 6.338 12.232 ( 5.451 -7.715 0.556) 9.463 ======================= Grid point 82 (40/52) ======================= q-point: ( 0.38 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 8.700 8.111 -1.042) 11.940 1.053 ( 7.305 3.387 -1.043) 8.120 1.105 ( 5.747 2.064 0.502) 6.128 1.177 ( 0.859 2.494 5.205) 5.835 1.209 ( 1.501 1.390 -0.992) 2.274 1.284 ( -3.646 1.905 -1.989) 4.569 1.326 ( 1.287 4.874 1.017) 5.142 1.387 ( -1.219 3.345 -1.105) 3.727 1.452 ( 1.937 1.372 -0.480) 2.422 1.477 ( 0.038 0.809 -0.672) 1.052 1.489 ( -1.948 3.175 0.661) 3.784 1.582 ( -2.290 -0.679 -0.467) 2.433 1.596 ( -1.796 1.085 0.230) 2.111 1.629 ( -1.921 1.566 2.366) 3.427 1.710 ( -3.557 3.558 -0.070) 5.031 1.784 ( -0.225 2.481 -3.728) 4.484 1.878 ( 5.508 5.859 -0.303) 8.047 1.901 ( 3.157 2.026 0.893) 3.856 2.067 ( 2.958 -2.074 0.598) 3.662 2.094 ( 6.473 0.468 -0.410) 6.503 2.140 ( 0.270 2.463 -0.288) 2.495 2.214 ( 0.812 -0.761 2.294) 2.550 2.266 ( -2.139 0.486 0.309) 2.215 2.351 ( -3.166 -1.095 -1.634) 3.727 2.606 ( 0.150 6.074 -0.842) 6.134 2.632 ( 0.870 7.606 0.637) 7.682 2.748 ( 4.212 2.426 -0.923) 4.948 2.777 ( 4.105 3.457 0.928) 5.446 2.818 ( 0.082 0.904 -0.187) 0.927 2.829 ( 0.233 2.166 0.056) 2.179 2.877 ( -2.224 -0.460 0.552) 2.337 2.894 ( -2.216 -1.499 -0.489) 2.720 3.155 ( -2.081 0.984 0.054) 2.302 3.196 ( -7.530 -0.628 1.139) 7.641 3.315 ( 1.746 -3.235 -0.436) 3.701 3.348 ( -0.547 -1.614 -0.435) 1.759 3.520 ( 5.109 -4.344 0.370) 6.716 3.564 ( 4.016 -2.569 -0.190) 4.771 3.714 ( -2.363 -1.087 -0.170) 2.606 3.743 ( -3.192 -2.467 0.078) 4.035 3.814 ( -0.846 5.498 -0.204) 5.566 3.837 ( -1.655 5.000 0.206) 5.270 4.078 ( 0.084 1.075 -0.411) 1.155 4.094 ( -0.345 2.067 0.469) 2.148 4.373 ( -0.139 3.910 0.730) 3.980 4.414 ( -1.888 0.432 -0.014) 1.937 4.441 ( -3.250 -0.562 -0.408) 3.323 4.486 ( -4.129 -1.002 -0.302) 4.259 5.234 ( 2.767 3.263 0.017) 4.278 5.262 ( 1.661 2.880 -0.012) 3.325 5.377 ( 1.071 8.447 0.247) 8.518 5.388 ( 2.128 8.799 -0.279) 9.057 5.448 ( -0.441 3.579 0.342) 3.622 5.482 ( 0.225 2.216 -0.140) 2.232 5.639 ( -1.890 -0.232 -0.543) 1.980 5.685 ( -4.368 2.201 0.633) 4.932 5.776 ( -4.520 -1.066 -0.344) 4.657 5.824 ( -4.325 -3.633 -0.100) 5.649 6.253 ( -1.800 -7.724 2.831) 8.421 6.268 ( 1.996 -7.522 -2.641) 8.218 6.587 ( 1.592 0.887 1.018) 2.088 6.682 ( -0.356 -1.823 -2.925) 3.465 6.814 ( -2.739 -7.356 3.619) 8.644 6.894 ( -3.580 -7.264 -1.694) 8.273 7.594 ( 3.009 -3.803 0.019) 4.850 7.606 ( 1.404 -3.058 0.136) 3.368 7.652 ( 0.904 -4.014 -1.108) 4.262 7.678 ( -1.158 -4.369 0.947) 4.618 10.642 ( -0.585 -1.252 -0.031) 1.382 10.650 ( -0.612 -1.509 -0.022) 1.628 10.731 ( -0.120 -2.594 0.247) 2.609 10.743 ( -0.201 -2.708 -0.217) 2.724 11.133 ( -0.424 2.473 0.142) 2.513 11.161 ( -0.759 2.741 -0.083) 2.845 11.240 ( -1.272 0.090 -0.135) 1.282 11.261 ( -1.115 0.771 0.083) 1.358 11.493 ( -0.656 5.659 0.047) 5.697 11.497 ( -0.661 5.363 -0.178) 5.407 11.532 ( -0.530 5.421 0.288) 5.455 11.560 ( -1.662 6.413 -0.121) 6.626 11.975 ( 2.053 -0.852 1.137) 2.496 12.065 ( 1.747 -3.193 -3.637) 5.146 12.165 ( 3.659 -4.306 3.679) 6.742 12.305 ( 2.336 -7.447 -1.184) 7.894 ======================= Grid point 83 (41/52) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 3.334 4.842 1.722) 6.126 1.116 ( -3.223 2.544 -1.090) 4.249 1.150 ( -6.552 2.235 0.152) 6.924 1.194 ( 6.518 2.891 -2.385) 7.519 1.263 ( 4.216 1.282 1.032) 4.525 1.276 ( -4.246 2.875 -0.441) 5.147 1.334 ( 2.284 0.944 3.346) 4.159 1.386 ( -1.270 5.124 -0.196) 5.282 1.438 ( 1.604 2.621 0.191) 3.079 1.476 ( -2.000 3.200 -1.911) 4.230 1.490 ( -1.830 2.232 1.692) 3.346 1.522 ( 2.215 -0.192 -0.916) 2.405 1.565 ( -1.150 3.232 1.141) 3.615 1.608 ( 0.611 3.854 -2.433) 4.599 1.667 ( -1.909 1.544 3.924) 4.629 1.761 ( 1.434 0.761 -5.203) 5.451 1.918 ( -1.279 2.602 1.568) 3.296 1.941 ( 1.333 4.622 -1.225) 4.964 2.097 ( -0.056 -1.383 1.716) 2.205 2.131 ( 0.303 -0.800 -1.773) 1.968 2.194 ( -0.560 0.932 0.869) 1.391 2.204 ( -0.237 1.555 0.047) 1.574 2.262 ( -0.055 -0.197 1.900) 1.911 2.306 ( 0.840 -0.789 -1.960) 2.274 2.609 ( -0.741 7.698 0.716) 7.766 2.626 ( 0.419 7.117 -0.938) 7.190 2.811 ( -0.047 0.575 0.322) 0.661 2.815 ( 0.683 1.656 0.145) 1.797 2.830 ( 0.035 1.127 0.032) 1.128 2.836 ( -0.725 0.850 -0.774) 1.359 2.870 ( -0.343 0.968 0.723) 1.256 2.881 ( 0.428 0.274 -0.225) 0.556 3.101 ( -0.890 -0.314 1.473) 1.749 3.131 ( 1.178 -0.544 -1.317) 1.849 3.305 ( -1.253 -0.268 2.205) 2.550 3.352 ( 0.992 -1.485 -2.167) 2.807 3.625 ( 2.774 0.212 0.697) 2.868 3.637 ( -3.792 -7.530 1.018) 8.492 3.640 ( 0.498 1.599 -0.589) 1.775 3.661 ( 0.513 -9.789 -1.149) 9.870 3.824 ( -0.509 6.120 0.396) 6.154 3.831 ( 0.498 5.932 -0.226) 5.957 4.083 ( -0.386 1.371 0.287) 1.453 4.088 ( 0.431 1.333 -0.141) 1.408 4.382 ( -0.338 -1.661 1.144) 2.045 4.387 ( 0.996 2.753 1.322) 3.213 4.414 ( 0.172 -2.102 -1.074) 2.367 4.424 ( -0.847 3.955 -1.446) 4.296 5.265 ( -0.173 4.252 0.399) 4.274 5.276 ( 0.181 3.929 -0.558) 3.972 5.403 ( -0.029 5.607 0.971) 5.690 5.422 ( 0.076 5.726 -0.838) 5.787 5.459 ( -0.304 4.729 1.743) 5.049 5.495 ( 0.579 4.865 -1.588) 5.150 5.589 ( 1.349 1.535 0.089) 2.045 5.593 ( -1.350 1.550 -0.221) 2.067 5.749 ( -0.129 -2.526 1.680) 3.037 5.787 ( -0.212 -1.568 -1.893) 2.467 6.238 ( -1.380 -7.168 2.241) 7.636 6.287 ( 1.473 -8.248 -2.393) 8.713 6.626 ( 0.248 -0.183 1.934) 1.958 6.673 ( -0.312 -2.003 -2.686) 3.365 6.795 ( -0.453 -5.855 2.811) 6.511 6.841 ( 0.485 -6.234 -1.746) 6.492 7.622 ( -0.198 -3.268 0.711) 3.350 7.636 ( -1.272 -4.540 -0.263) 4.723 7.645 ( 1.546 -4.517 0.069) 4.775 7.654 ( -0.121 -4.928 -0.477) 4.952 10.638 ( 0.120 -1.353 0.162) 1.368 10.642 ( -0.121 -1.487 -0.203) 1.505 10.732 ( 0.017 -2.604 0.343) 2.627 10.739 ( -0.000 -2.686 -0.310) 2.703 11.134 ( 0.254 2.495 0.567) 2.572 11.147 ( -0.351 2.622 -0.665) 2.728 11.234 ( 0.431 0.437 0.554) 0.827 11.245 ( -0.336 0.714 -0.448) 0.908 11.487 ( -0.142 5.043 0.128) 5.047 11.491 ( 0.154 5.026 -0.276) 5.036 11.530 ( -0.094 5.991 0.632) 6.025 11.541 ( 0.076 6.312 -0.464) 6.329 12.006 ( 0.113 -0.984 1.819) 2.071 12.057 ( -0.387 -2.181 -3.204) 3.895 12.236 ( 1.090 -5.262 4.134) 6.780 12.307 ( -0.813 -6.700 -2.766) 7.294 ======================= Grid point 84 (42/52) ======================= q-point: (-0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -10.324 6.442 -1.707) 12.288 1.035 ( -4.915 5.411 0.847) 7.358 1.107 ( -8.574 0.693 0.729) 8.633 1.167 ( 3.366 0.326 2.058) 3.959 1.267 ( -1.559 3.067 -1.240) 3.657 1.300 ( 1.072 4.773 -2.320) 5.414 1.305 ( -0.391 2.435 0.103) 2.469 1.399 ( 0.609 2.080 0.400) 2.204 1.437 ( 0.320 2.019 -1.337) 2.442 1.460 ( -1.480 1.679 0.850) 2.394 1.494 ( -0.521 3.164 -0.030) 3.207 1.565 ( 3.547 1.073 1.596) 4.035 1.599 ( 2.431 1.414 -0.009) 2.812 1.650 ( 1.020 1.641 2.203) 2.930 1.675 ( 2.459 2.003 0.084) 3.173 1.772 ( 1.353 2.271 -2.559) 3.679 1.867 ( -4.594 4.928 0.410) 6.749 1.929 ( -2.506 2.977 -0.873) 3.988 2.060 ( -6.181 -1.204 0.614) 6.327 2.100 ( -3.401 -1.328 -0.391) 3.672 2.134 ( -0.355 2.680 0.125) 2.706 2.218 ( -1.447 0.459 1.434) 2.088 2.285 ( 2.657 -0.247 0.240) 2.680 2.344 ( 2.962 -1.042 -1.845) 3.642 2.587 ( -0.823 6.028 0.575) 6.111 2.643 ( -0.022 7.620 -0.213) 7.623 2.741 ( -4.933 3.105 -0.194) 5.832 2.784 ( -3.932 3.416 0.169) 5.212 2.816 ( -0.285 0.756 -0.066) 0.810 2.833 ( 0.164 2.199 -0.260) 2.220 2.866 ( 2.395 -0.661 0.933) 2.654 2.902 ( 2.081 -1.586 -0.581) 2.680 3.163 ( 4.451 0.678 -0.518) 4.532 3.199 ( 4.475 0.162 1.109) 4.613 3.313 ( 0.662 -2.994 -0.366) 3.088 3.343 ( -1.293 -2.695 -0.120) 2.992 3.535 ( -4.898 -3.316 -0.955) 5.992 3.550 ( -4.205 -3.433 1.023) 5.524 3.717 ( 1.867 -0.914 -0.416) 2.120 3.739 ( 3.906 -2.756 0.410) 4.798 3.815 ( 1.031 5.767 -0.285) 5.865 3.836 ( 1.171 5.011 0.304) 5.155 4.075 ( -0.172 1.437 -0.090) 1.450 4.099 ( 0.442 1.790 0.032) 1.844 4.398 ( 0.535 2.789 -0.430) 2.872 4.408 ( 0.062 4.368 -0.174) 4.372 4.434 ( 3.932 -2.581 0.250) 4.710 4.475 ( 4.970 -1.913 0.342) 5.337 5.238 ( -2.755 3.285 -0.283) 4.297 5.259 ( -1.520 2.880 0.244) 3.265 5.370 ( -2.030 9.499 0.402) 9.722 5.393 ( -1.125 7.040 -0.393) 7.140 5.457 ( -0.082 4.160 -0.207) 4.166 5.478 ( -0.040 2.181 0.111) 2.184 5.642 ( 2.329 0.663 -0.782) 2.545 5.688 ( 3.876 2.050 0.493) 4.412 5.771 ( 3.666 -2.711 0.013) 4.560 5.816 ( 5.406 -2.424 0.362) 5.936 6.222 ( -1.613 -6.984 1.710) 7.369 6.303 ( 1.695 -8.544 -1.739) 8.882 6.607 ( -2.098 0.402 0.516) 2.198 6.649 ( 0.818 -1.712 -1.245) 2.269 6.834 ( 2.091 -6.566 2.694) 7.399 6.887 ( 4.061 -7.708 -1.955) 8.929 7.591 ( -2.463 -3.193 0.164) 4.036 7.615 ( -1.863 -3.721 -0.369) 4.177 7.635 ( -0.883 -3.470 0.240) 3.588 7.688 ( 1.018 -4.771 0.020) 4.878 10.644 ( 0.455 -1.296 -0.184) 1.386 10.648 ( 0.735 -1.434 0.167) 1.620 10.736 ( 0.138 -2.622 0.209) 2.634 10.739 ( 0.209 -2.719 -0.235) 2.737 11.136 ( 0.138 2.505 -0.085) 2.510 11.156 ( 1.174 2.655 0.217) 2.911 11.242 ( 0.671 0.266 -0.280) 0.774 11.260 ( 1.569 0.627 0.162) 1.698 11.490 ( 0.506 5.608 0.134) 5.632 11.499 ( 0.832 5.244 -0.193) 5.313 11.533 ( 0.366 5.995 0.191) 6.010 11.560 ( 1.804 6.046 -0.105) 6.310 12.000 ( -2.092 -1.659 2.223) 3.474 12.013 ( -2.182 -1.612 -2.259) 3.531 12.239 ( -3.691 -6.162 -2.410) 7.577 12.257 ( -1.794 -6.395 2.434) 7.074 ======================= Grid point 85 (43/52) ======================= q-point: (-0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -9.536 9.662 -0.516) 13.585 0.951 ( -3.437 5.557 0.467) 6.550 1.003 ( -3.879 6.296 1.711) 7.590 1.130 ( -5.364 5.522 -2.831) 8.203 1.276 ( 1.810 -0.005 -0.075) 1.812 1.303 ( 0.653 7.636 1.994) 7.919 1.340 ( 2.517 0.477 -2.285) 3.432 1.384 ( -4.224 2.365 -1.388) 5.036 1.411 ( 0.554 0.974 -0.173) 1.134 1.466 ( -0.242 1.839 1.770) 2.564 1.488 ( -1.759 2.587 2.127) 3.783 1.568 ( -2.334 -2.041 -0.591) 3.156 1.607 ( -2.405 0.371 -0.437) 2.472 1.679 ( -1.606 -1.315 -1.213) 2.405 1.702 ( -1.420 3.945 3.109) 5.220 1.713 ( -8.233 5.420 -0.137) 9.858 1.778 ( -0.387 5.654 -0.003) 5.667 1.857 ( -1.850 2.741 -1.975) 3.852 1.934 ( -5.098 -1.543 -0.432) 5.344 2.004 ( -7.129 -2.501 0.131) 7.556 2.135 ( -0.557 3.262 0.692) 3.381 2.208 ( 0.280 -0.184 0.804) 0.871 2.340 ( 2.658 -2.150 -2.078) 4.001 2.387 ( 1.776 -1.648 1.198) 2.703 2.612 ( 3.557 4.374 0.966) 5.720 2.627 ( 1.103 5.547 -1.019) 5.747 2.705 ( 0.804 5.973 0.355) 6.037 2.761 ( 0.966 6.254 -0.212) 6.332 2.816 ( 0.406 2.652 -0.021) 2.683 2.834 ( 0.181 1.997 -0.207) 2.016 2.929 ( 3.059 -2.356 1.193) 4.041 2.949 ( 3.395 -1.870 -1.092) 4.027 3.225 ( 2.770 1.046 -1.693) 3.411 3.252 ( -0.331 -1.167 0.553) 1.333 3.322 ( -0.412 -2.678 1.180) 2.955 3.333 ( 2.460 -4.168 0.069) 4.841 3.454 ( -2.818 -1.270 -0.691) 3.167 3.497 ( -2.211 -1.415 0.627) 2.699 3.721 ( -1.066 0.272 -0.168) 1.113 3.769 ( 0.259 1.147 0.329) 1.221 3.867 ( 2.632 4.047 -0.196) 4.832 3.870 ( 1.084 5.414 0.275) 5.529 4.061 ( -1.904 1.898 0.003) 2.688 4.087 ( -2.487 0.955 -0.196) 2.671 4.383 ( -1.074 3.476 -1.457) 3.919 4.429 ( 1.610 3.728 1.227) 4.242 4.530 ( 5.295 -2.946 0.225) 6.063 4.570 ( 4.581 -2.968 -0.104) 5.459 5.183 ( -2.310 4.251 -0.324) 4.849 5.211 ( -3.257 4.379 0.273) 5.464 5.375 ( -0.220 7.918 -0.692) 7.951 5.378 ( 1.158 7.445 0.590) 7.557 5.492 ( 4.407 1.345 -0.543) 4.640 5.510 ( 3.741 0.220 0.549) 3.787 5.635 ( -1.407 -0.014 -0.299) 1.438 5.694 ( -0.979 2.389 0.467) 2.624 5.904 ( 7.257 -2.544 0.052) 7.690 5.941 ( 5.527 -3.089 0.043) 6.332 6.220 ( 1.088 -4.980 1.720) 5.380 6.352 ( 5.205 -7.716 -1.967) 9.513 6.586 ( 0.262 0.820 -0.806) 1.180 6.694 ( 3.480 -1.251 0.216) 3.704 6.878 ( 0.613 -8.254 1.192) 8.362 6.951 ( 3.493 -8.331 -0.634) 9.056 7.523 ( -5.102 -2.496 -0.780) 5.733 7.554 ( -4.308 -1.934 0.333) 4.734 7.593 ( -3.930 -2.413 0.264) 4.619 7.661 ( -4.447 -4.021 0.154) 5.998 10.656 ( 0.822 -1.154 0.007) 1.417 10.665 ( 0.854 -1.389 0.019) 1.630 10.737 ( -0.002 -2.680 -0.352) 2.703 10.743 ( 0.175 -2.715 0.264) 2.733 11.149 ( 1.193 2.508 0.135) 2.781 11.184 ( 1.599 2.673 -0.170) 3.120 11.265 ( 1.655 -0.105 0.423) 1.711 11.292 ( 1.801 0.515 -0.351) 1.905 11.509 ( 1.110 6.666 0.319) 6.765 11.526 ( 2.280 4.987 -0.287) 5.491 11.546 ( 0.998 5.654 0.034) 5.741 11.609 ( 3.497 6.050 -0.042) 6.988 11.944 ( -3.178 -1.801 -1.543) 3.966 11.965 ( -3.428 -1.934 2.648) 4.743 12.124 ( -5.904 -5.451 -3.454) 8.746 12.214 ( -4.645 -7.389 2.278) 9.020 ======================= Grid point 86 (44/52) ======================= q-point: (-0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -1.924 13.697 2.836) 14.119 0.909 ( -5.074 6.757 0.784) 8.486 0.923 ( -4.194 9.779 -1.064) 10.693 0.987 ( -7.368 8.082 -3.193) 11.393 1.223 ( -4.835 10.134 3.043) 11.634 1.309 ( -2.898 8.626 -1.237) 9.183 1.341 ( -1.549 5.159 1.251) 5.530 1.363 ( 1.436 -0.813 -2.180) 2.734 1.378 ( -0.833 -1.268 -0.446) 1.582 1.428 ( -2.716 2.156 1.283) 3.698 1.481 ( -2.308 0.645 1.450) 2.801 1.489 ( 0.617 -0.242 0.765) 1.012 1.569 ( -0.326 0.184 0.129) 0.396 1.606 ( -2.062 2.637 0.924) 3.473 1.659 ( -0.400 -3.353 -0.704) 3.450 1.695 ( -1.722 0.029 -2.728) 3.227 1.747 ( -2.541 2.691 -1.457) 3.978 1.806 ( -3.716 -0.819 0.288) 3.816 1.876 ( -1.868 1.033 1.308) 2.504 1.898 ( -1.426 0.124 -0.760) 1.621 2.132 ( -0.335 2.899 1.378) 3.227 2.210 ( -0.127 0.606 -1.445) 1.572 2.361 ( 0.881 -2.510 -0.575) 2.722 2.403 ( -0.820 -2.874 0.863) 3.111 2.694 ( 5.531 4.145 -1.231) 7.020 2.722 ( 4.648 5.827 1.086) 7.532 2.743 ( 2.622 6.109 0.947) 6.715 2.788 ( 1.141 4.522 -0.586) 4.700 2.849 ( 4.183 4.134 -0.729) 5.926 2.868 ( 4.255 2.362 0.358) 4.880 2.981 ( 2.638 -4.299 -0.633) 5.083 3.029 ( 4.237 -3.711 1.042) 5.728 3.220 ( -1.313 -0.731 -0.679) 1.649 3.272 ( 0.880 0.355 0.011) 0.949 3.309 ( -1.881 -5.934 0.188) 6.228 3.383 ( 0.148 -0.551 -0.093) 0.578 3.437 ( 1.995 0.273 0.185) 2.022 3.456 ( -0.308 0.620 0.474) 0.839 3.668 ( -4.502 -0.717 -0.870) 4.641 3.742 ( -5.244 -2.567 1.359) 5.994 3.873 ( -0.391 7.150 -0.063) 7.161 3.885 ( -0.250 5.721 -0.256) 5.732 3.998 ( -3.458 3.554 -0.949) 5.048 4.011 ( -4.129 1.425 0.797) 4.440 4.353 ( -1.196 3.635 0.457) 3.854 4.450 ( -0.618 4.347 -0.208) 4.395 4.622 ( 4.871 -4.160 -0.319) 6.413 4.667 ( 5.007 -3.375 0.153) 6.040 5.130 ( -3.340 6.863 -0.168) 7.634 5.146 ( -3.539 5.788 0.042) 6.784 5.407 ( 4.444 3.914 -0.195) 5.925 5.429 ( 3.438 2.447 0.651) 4.270 5.537 ( -1.111 -1.285 -0.942) 1.942 5.589 ( 3.644 -0.989 1.082) 3.927 5.654 ( 2.651 1.348 0.952) 3.123 5.688 ( 0.554 1.387 -1.406) 2.051 6.036 ( 7.884 0.951 -0.053) 7.941 6.040 ( 6.334 -0.383 0.584) 6.373 6.261 ( 0.036 0.324 2.028) 2.054 6.420 ( 1.097 -5.323 -5.186) 7.512 6.627 ( 4.503 0.908 0.578) 4.630 6.746 ( 0.884 -1.537 -0.390) 1.815 6.875 ( -0.877 -6.725 1.693) 6.990 6.992 ( 0.414 -8.083 -0.343) 8.101 7.396 ( -6.083 0.030 -0.715) 6.125 7.463 ( -5.777 -1.718 0.970) 6.105 7.495 ( -5.109 -2.448 -0.509) 5.688 7.534 ( -7.434 -2.712 0.196) 7.916 10.671 ( 0.631 -1.145 0.142) 1.315 10.678 ( 0.517 -1.249 -0.098) 1.356 10.733 ( -0.127 -2.592 -0.136) 2.599 10.747 ( -0.039 -2.768 0.126) 2.771 11.179 ( 1.464 2.591 0.578) 3.032 11.211 ( 1.401 2.508 -0.768) 2.974 11.301 ( 1.288 -0.001 1.016) 1.641 11.322 ( 1.656 0.378 -0.801) 1.877 11.530 ( 0.945 6.357 0.008) 6.427 11.548 ( 0.064 4.952 0.131) 4.954 11.606 ( 4.944 4.122 0.233) 6.442 11.691 ( 4.758 4.634 -0.398) 6.654 11.883 ( -1.996 -2.044 -0.698) 2.941 11.919 ( -2.299 -1.245 2.010) 3.298 11.986 ( -6.149 -4.223 -2.242) 7.789 12.105 ( -7.594 -6.032 0.622) 9.718 ======================= Grid point 87 (45/52) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 1.221 12.668 3.883) 13.306 1.032 ( -2.258 11.762 -0.842) 12.007 1.084 ( 0.703 9.379 -1.302) 9.495 1.114 ( 1.126 9.880 -2.875) 10.351 1.215 ( -0.246 -8.503 2.338) 8.822 1.247 ( -0.980 -6.479 -0.392) 6.564 1.269 ( -0.324 -4.830 1.963) 5.224 1.316 ( -0.010 -5.558 -2.240) 5.992 1.419 ( 0.221 -0.764 0.074) 0.799 1.428 ( 0.497 -2.045 -0.499) 2.163 1.496 ( 0.470 2.483 0.593) 2.596 1.519 ( -0.231 0.045 -1.529) 1.547 1.553 ( -0.350 1.902 1.542) 2.474 1.577 ( -0.289 -0.257 -0.711) 0.810 1.645 ( 0.048 -0.007 1.330) 1.331 1.675 ( 0.992 -0.300 -1.666) 1.962 1.754 ( -0.782 4.129 2.371) 4.825 1.800 ( 0.055 2.524 -1.983) 3.210 1.872 ( -1.180 -0.114 0.825) 1.444 1.891 ( 1.218 -2.117 -0.970) 2.628 2.207 ( -0.530 3.965 1.557) 4.293 2.240 ( 0.418 2.309 -1.284) 2.674 2.304 ( -0.515 -3.621 0.362) 3.675 2.314 ( 0.710 -3.450 -0.193) 3.528 2.819 ( 0.691 3.092 -0.366) 3.190 2.832 ( -0.291 2.305 -1.447) 2.736 2.889 ( 0.533 -0.455 0.364) 0.790 2.901 ( -0.446 -1.290 -1.078) 1.740 2.923 ( -1.600 3.139 0.977) 3.656 2.934 ( 1.078 1.662 -0.385) 2.018 2.981 ( 0.854 0.054 0.734) 1.128 2.983 ( -1.036 -0.230 0.485) 1.167 3.198 ( 0.538 -1.638 0.777) 1.891 3.206 ( 0.505 -1.943 0.221) 2.020 3.236 ( 0.114 -0.758 1.312) 1.519 3.269 ( -1.071 -3.178 -1.459) 3.658 3.541 ( 1.131 1.229 0.521) 1.750 3.554 ( -3.149 0.147 -0.600) 3.209 3.570 ( -0.434 -0.632 0.149) 0.781 3.574 ( 2.692 -0.839 -0.118) 2.822 3.997 ( -0.506 4.059 0.493) 4.120 4.007 ( 0.274 3.605 -0.396) 3.637 4.019 ( -0.591 2.736 0.803) 2.912 4.038 ( 0.673 1.683 -0.874) 2.013 4.454 ( 1.103 4.830 2.586) 5.588 4.511 ( -1.230 4.115 -2.688) 5.067 4.575 ( 0.874 -5.641 1.888) 6.012 4.615 ( -0.706 -4.945 -1.827) 5.319 5.238 ( 0.082 6.565 0.235) 6.569 5.245 ( -0.121 6.905 -0.398) 6.917 5.368 ( 0.327 -5.333 0.601) 5.377 5.380 ( -0.359 -5.599 -0.599) 5.643 5.606 ( 1.252 1.920 1.782) 2.904 5.639 ( -1.434 -0.153 -0.933) 1.717 5.653 ( -0.269 -0.643 0.257) 0.742 5.667 ( 0.462 -0.852 -0.652) 1.168 6.253 ( -1.223 3.466 2.386) 4.382 6.276 ( 0.076 1.299 1.561) 2.033 6.294 ( 0.756 3.327 -1.442) 3.704 6.332 ( 0.838 -0.007 -3.436) 3.537 6.712 ( 1.655 2.838 0.048) 3.285 6.716 ( -1.986 1.985 -0.442) 2.843 6.790 ( -1.353 -4.832 2.074) 5.429 6.824 ( 1.309 -6.783 -1.252) 7.020 7.353 ( 1.311 0.116 0.593) 1.443 7.366 ( -1.241 -0.268 -0.612) 1.409 7.379 ( 0.284 -2.178 0.390) 2.231 7.387 ( -0.358 -2.029 -0.293) 2.081 10.666 ( 0.069 0.091 0.151) 0.189 10.669 ( -0.052 0.107 -0.152) 0.193 10.686 ( 0.196 -1.781 0.222) 1.806 10.691 ( -0.191 -1.873 -0.191) 1.892 11.254 ( -0.237 2.352 0.727) 2.474 11.272 ( 0.313 1.580 -0.959) 1.875 11.310 ( -0.260 -0.497 0.985) 1.133 11.327 ( 0.159 -1.197 -0.663) 1.377 11.636 ( 0.125 3.574 0.297) 3.588 11.647 ( -0.116 3.066 -0.752) 3.159 11.715 ( 0.049 0.349 1.097) 1.152 11.731 ( -0.102 -1.399 -0.488) 1.485 11.834 ( 0.568 -0.704 0.668) 1.124 11.848 ( -0.470 -1.525 -0.551) 1.689 11.932 ( 0.894 -0.064 0.294) 0.943 11.943 ( -0.945 -0.972 -0.713) 1.531 ======================= Grid point 88 (46/52) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.546 10.521 -3.455) 11.087 1.003 ( 0.204 10.683 4.279) 11.510 1.095 ( 1.116 3.772 0.088) 3.935 1.166 ( 3.068 0.605 -1.196) 3.348 1.267 ( 3.842 -2.395 -0.302) 4.538 1.306 ( 0.939 0.391 2.011) 2.253 1.317 ( 5.255 0.470 -0.526) 5.302 1.360 ( 2.706 -0.826 1.295) 3.111 1.421 ( 1.272 -4.490 -2.132) 5.131 1.433 ( 3.965 -3.001 -0.231) 4.978 1.509 ( -0.595 2.732 -0.264) 2.809 1.542 ( -0.202 0.903 0.464) 1.035 1.553 ( 1.947 0.795 0.041) 2.103 1.574 ( 3.663 -1.563 0.194) 3.988 1.644 ( -0.096 1.027 0.694) 1.243 1.716 ( 4.384 -3.487 -1.357) 5.764 1.806 ( 4.664 5.817 2.542) 7.878 1.821 ( 3.020 2.674 -1.791) 4.413 1.857 ( -0.643 0.541 0.443) 0.950 1.915 ( 1.983 -2.645 -0.606) 3.361 2.203 ( -0.845 3.342 1.178) 3.643 2.234 ( -0.460 2.232 -0.697) 2.383 2.296 ( -0.013 -2.210 -0.411) 2.248 2.335 ( 1.499 -4.013 -0.106) 4.285 2.749 ( -5.452 3.241 -0.649) 6.376 2.787 ( -3.614 1.069 0.274) 3.779 2.837 ( -5.005 -0.247 -0.979) 5.106 2.855 ( -3.753 -0.671 0.440) 3.838 2.882 ( -1.538 2.132 0.547) 2.685 2.906 ( -2.846 0.906 0.206) 2.994 2.946 ( -1.487 1.791 -0.005) 2.328 2.986 ( -2.046 -1.461 0.258) 2.527 3.213 ( -0.012 -0.078 -1.234) 1.237 3.228 ( 1.319 -1.907 -1.056) 2.548 3.244 ( 0.055 -0.615 1.143) 1.299 3.299 ( 1.535 -4.139 1.233) 4.584 3.513 ( -0.273 5.020 0.523) 5.055 3.546 ( 0.456 5.110 -0.461) 5.151 3.608 ( 3.219 -3.536 0.301) 4.791 3.662 ( 3.460 -5.440 -0.580) 6.473 4.006 ( 1.347 4.804 0.320) 5.000 4.024 ( 1.563 3.681 -0.185) 4.003 4.045 ( 2.427 2.770 0.698) 3.749 4.069 ( 2.570 1.299 -0.698) 2.963 4.465 ( -1.480 3.455 -2.446) 4.485 4.492 ( 0.675 2.842 2.689) 3.971 4.550 ( -3.894 -3.403 -1.588) 5.410 4.574 ( -2.222 -3.972 1.262) 4.723 5.261 ( 1.309 5.634 -0.287) 5.791 5.266 ( 1.901 5.771 0.297) 6.084 5.374 ( -0.078 -4.804 -0.503) 4.831 5.386 ( 0.737 -4.874 0.542) 4.960 5.588 ( -1.479 4.145 -0.815) 4.476 5.623 ( -1.087 2.719 0.686) 3.008 5.660 ( 1.266 -1.794 0.798) 2.336 5.676 ( 0.371 -1.806 -0.563) 1.927 6.107 ( -10.439 5.859 0.539) 11.983 6.121 ( -10.989 6.134 0.221) 12.587 6.240 ( -6.928 -4.428 0.915) 8.273 6.272 ( -6.682 -6.198 -2.356) 9.414 6.679 ( -1.592 3.566 0.065) 3.906 6.733 ( -0.336 0.932 -0.150) 1.002 6.751 ( -3.356 -3.782 1.272) 5.214 6.832 ( -0.494 -7.265 -0.708) 7.316 7.405 ( 5.182 0.968 -0.714) 5.319 7.441 ( 6.111 -0.520 0.441) 6.149 7.446 ( 5.270 -1.705 -0.252) 5.545 7.472 ( 6.785 -2.385 0.531) 7.211 10.662 ( -0.482 0.213 -0.104) 0.537 10.664 ( -0.378 0.267 0.065) 0.468 10.685 ( -0.219 -1.841 -0.177) 1.863 10.691 ( 0.057 -2.094 0.184) 2.103 11.236 ( -1.770 2.415 0.404) 3.022 11.256 ( -1.280 1.378 -0.559) 1.962 11.294 ( -1.732 -0.653 0.787) 2.012 11.308 ( -1.455 -1.108 -0.557) 1.912 11.634 ( -0.628 3.684 -0.328) 3.752 11.641 ( -0.217 3.006 0.195) 3.021 11.688 ( -2.185 2.102 -0.018) 3.032 11.723 ( -1.515 -1.080 0.250) 1.877 11.869 ( 2.783 0.665 -0.761) 2.960 11.885 ( 3.905 -1.429 1.005) 4.278 11.939 ( 2.152 -0.062 -1.027) 2.385 11.992 ( 3.902 -4.150 0.629) 5.731 ======================= Grid point 89 (47/52) ======================= q-point: ( 0.25 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 3.166 8.038 -2.151) 8.903 1.063 ( 3.064 7.485 2.759) 8.545 1.115 ( 2.020 0.553 -0.904) 2.281 1.185 ( -0.544 -1.119 1.244) 1.760 1.263 ( -2.434 0.795 -1.247) 2.848 1.324 ( 1.050 1.055 -0.837) 1.708 1.358 ( 1.761 1.336 1.804) 2.853 1.411 ( -0.087 -3.654 -2.021) 4.177 1.439 ( 0.694 -0.482 1.427) 1.658 1.507 ( -1.108 4.035 -0.741) 4.249 1.513 ( 1.176 -3.954 -0.552) 4.162 1.546 ( 4.127 1.746 1.426) 4.702 1.608 ( 1.478 0.671 -0.483) 1.694 1.667 ( 2.203 -1.276 1.670) 3.045 1.708 ( 6.598 2.877 -0.188) 7.200 1.818 ( 3.668 -4.279 -1.993) 5.978 1.860 ( 1.368 1.210 1.359) 2.277 1.863 ( 3.365 1.515 -0.818) 3.780 1.951 ( 8.627 4.134 0.405) 9.575 1.991 ( 6.480 -0.069 -0.217) 6.484 2.191 ( -0.980 1.757 0.718) 2.137 2.210 ( -1.668 0.536 0.087) 1.754 2.301 ( 0.598 1.153 -0.415) 1.364 2.358 ( 0.402 -3.241 -0.572) 3.316 2.674 ( -0.875 4.176 0.399) 4.285 2.728 ( -1.937 4.318 -0.100) 4.734 2.771 ( -0.496 -3.526 -0.245) 3.570 2.814 ( 0.018 -2.410 0.087) 2.412 2.861 ( -0.921 2.188 0.538) 2.434 2.863 ( -1.871 1.947 0.575) 2.761 2.904 ( -2.411 0.897 -0.466) 2.614 2.927 ( -3.621 -1.026 -0.459) 3.791 3.194 ( -1.120 -1.178 -0.658) 1.754 3.201 ( -1.994 -1.217 -0.627) 2.419 3.258 ( -0.353 -1.415 0.296) 1.488 3.283 ( -3.466 -2.935 0.731) 4.600 3.522 ( 0.220 5.990 0.188) 5.997 3.553 ( 0.471 5.123 -0.030) 5.144 3.649 ( 0.294 -5.312 0.421) 5.337 3.680 ( -0.855 -6.196 -0.283) 6.261 4.029 ( 0.170 7.025 -0.049) 7.027 4.038 ( -0.163 6.562 -0.178) 6.567 4.098 ( 1.589 0.658 -0.099) 1.722 4.107 ( 1.636 0.175 0.062) 1.647 4.435 ( -0.751 1.282 -0.868) 1.721 4.457 ( -4.163 -1.750 -0.573) 4.552 4.505 ( -1.971 1.067 0.780) 2.373 4.524 ( -2.967 -1.217 0.687) 3.280 5.271 ( 0.425 4.345 -0.279) 4.375 5.289 ( 0.494 4.070 0.329) 4.113 5.368 ( -0.387 -4.583 -0.181) 4.603 5.389 ( -0.580 -4.877 0.240) 4.917 5.587 ( 0.985 6.222 -0.117) 6.301 5.613 ( -0.070 6.201 0.058) 6.202 5.668 ( 0.409 -0.878 -1.309) 1.628 5.701 ( 1.267 -1.778 1.064) 2.429 5.943 ( -6.273 5.719 1.169) 8.569 5.951 ( -6.393 6.034 -0.945) 8.842 6.114 ( -5.391 -8.497 1.512) 10.175 6.128 ( -5.029 -8.884 -1.610) 10.335 6.649 ( -1.511 4.212 -0.425) 4.495 6.691 ( -2.926 -0.999 0.251) 3.102 6.706 ( -2.030 -2.901 1.271) 3.762 6.795 ( -2.532 -7.672 -0.995) 8.141 7.497 ( 3.829 0.635 -0.262) 3.890 7.531 ( 3.114 -1.076 -0.110) 3.296 7.544 ( 3.693 -1.370 -0.063) 3.939 7.577 ( 3.032 -3.126 0.454) 4.378 10.650 ( -0.649 0.531 -0.089) 0.844 10.654 ( -0.650 0.600 0.039) 0.886 10.680 ( -0.247 -2.089 0.008) 2.103 10.689 ( -0.266 -2.421 -0.008) 2.435 11.204 ( -1.499 2.360 0.027) 2.796 11.228 ( -1.283 1.241 0.150) 1.791 11.260 ( -1.914 -0.668 -0.226) 2.040 11.277 ( -1.485 -1.102 0.080) 1.851 11.613 ( -1.232 3.633 -0.134) 3.839 11.630 ( -1.120 2.566 0.417) 2.831 11.645 ( -1.928 3.559 -0.553) 4.085 11.685 ( -2.287 0.323 0.310) 2.331 11.934 ( 3.934 2.279 -0.254) 4.553 11.977 ( 4.246 -0.651 1.290) 4.485 11.991 ( 4.002 -1.826 -1.487) 4.643 12.079 ( 4.337 -6.560 0.430) 7.876 ======================= Grid point 90 (48/52) ======================= q-point: ( 0.38 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 5.927 2.528 -0.381) 6.455 1.105 ( 1.118 1.204 0.096) 1.646 1.162 ( 0.401 0.334 0.524) 0.740 1.185 ( -0.565 -1.160 -0.909) 1.578 1.249 ( 4.223 6.812 0.821) 8.057 1.345 ( 1.106 2.780 -0.678) 3.068 1.396 ( 0.802 -3.716 -1.135) 3.967 1.418 ( 2.357 -1.578 1.694) 3.304 1.458 ( 0.843 2.859 1.219) 3.221 1.489 ( -0.263 2.779 -0.560) 2.847 1.526 ( 0.110 -0.260 0.207) 0.350 1.553 ( -1.694 -2.184 -0.308) 2.781 1.636 ( 0.317 3.115 -0.526) 3.175 1.674 ( -1.667 1.221 1.068) 2.326 1.754 ( -1.032 0.850 -0.362) 1.385 1.790 ( -2.753 -1.803 -1.856) 3.778 1.925 ( 3.073 2.224 2.059) 4.316 1.959 ( 4.835 -0.262 -1.234) 4.997 2.072 ( 2.483 2.472 -0.615) 3.557 2.106 ( 4.417 -0.157 -1.722) 4.743 2.181 ( 0.301 1.379 1.044) 1.756 2.201 ( 0.669 -0.584 2.530) 2.681 2.301 ( -0.699 2.082 -0.190) 2.205 2.331 ( -1.945 -0.885 -1.193) 2.448 2.708 ( 2.070 3.537 0.208) 4.103 2.736 ( 0.201 3.494 -0.240) 3.508 2.767 ( 1.060 -1.943 0.042) 2.214 2.817 ( -1.609 -2.453 -0.074) 2.935 2.859 ( 1.164 2.401 -0.295) 2.685 2.867 ( 1.694 2.843 0.365) 3.330 2.879 ( 0.887 0.832 -0.383) 1.275 2.883 ( 0.393 0.267 0.319) 0.572 3.157 ( -2.506 -0.539 0.450) 2.602 3.173 ( -3.314 -1.169 0.497) 3.549 3.212 ( -1.192 -3.763 -0.098) 3.948 3.236 ( -1.337 -5.357 -0.453) 5.540 3.534 ( 1.116 3.979 0.284) 4.142 3.564 ( 0.922 2.609 -0.375) 2.792 3.630 ( -1.591 -4.758 -0.149) 5.019 3.645 ( -2.267 -4.481 0.158) 5.024 4.018 ( -0.283 9.008 -0.395) 9.021 4.031 ( -0.286 8.403 0.395) 8.417 4.102 ( -0.142 0.237 -0.370) 0.462 4.126 ( -0.041 -0.371 0.412) 0.556 4.375 ( -3.929 -0.043 0.494) 3.961 4.406 ( -2.593 -0.696 -0.480) 2.727 4.438 ( -3.300 -0.379 0.403) 3.347 4.479 ( -2.739 -2.211 -0.431) 3.546 5.296 ( 2.212 2.733 -0.231) 3.524 5.311 ( 1.601 2.158 0.281) 2.701 5.361 ( -0.176 -3.601 -0.107) 3.607 5.374 ( -0.917 -3.900 0.167) 4.010 5.601 ( 0.724 5.528 -0.151) 5.578 5.619 ( 0.558 5.979 0.119) 6.006 5.659 ( -1.199 0.221 -0.617) 1.367 5.697 ( -2.446 -1.481 0.342) 2.880 5.862 ( -2.452 8.782 -0.024) 9.118 5.882 ( -1.040 7.760 0.104) 7.830 6.071 ( -0.788 -9.411 1.222) 9.523 6.082 ( 0.209 -9.886 -1.210) 9.962 6.628 ( -0.075 3.413 -0.444) 3.442 6.654 ( -0.620 -0.170 -0.175) 0.666 6.691 ( -0.989 -3.869 2.041) 4.485 6.739 ( -2.073 -6.736 -1.360) 7.178 7.542 ( 1.251 -0.703 0.085) 1.438 7.559 ( 0.152 -1.187 0.056) 1.198 7.575 ( 0.071 -2.425 -0.465) 2.470 7.593 ( -1.052 -3.102 0.346) 3.294 10.639 ( -0.447 0.917 0.007) 1.020 10.643 ( -0.515 0.855 -0.029) 0.999 10.676 ( -0.224 -2.388 0.126) 2.402 10.683 ( -0.279 -2.648 -0.120) 2.665 11.184 ( -0.586 2.211 0.101) 2.289 11.214 ( -0.442 1.740 0.358) 1.830 11.224 ( -1.297 -0.909 -0.452) 1.647 11.253 ( -1.007 -1.196 -0.018) 1.563 11.593 ( -0.739 3.574 -0.006) 3.650 11.606 ( -1.243 4.129 -0.055) 4.312 11.620 ( -0.562 1.764 0.121) 1.856 11.649 ( -1.491 0.895 0.014) 1.739 12.000 ( 2.681 3.100 0.130) 4.100 12.033 ( 2.155 1.365 -1.215) 2.826 12.073 ( 3.368 -3.970 1.608) 5.449 12.147 ( 2.452 -7.175 -0.561) 7.603 ======================= Grid point 91 (49/52) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.382 0.325 0.166) 0.528 1.128 ( -1.310 -0.739 -0.847) 1.726 1.167 ( -0.638 0.490 1.108) 1.370 1.186 ( 1.207 -1.343 -0.507) 1.875 1.337 ( 2.340 3.132 0.605) 3.956 1.352 ( -0.343 2.827 -0.264) 2.860 1.411 ( -4.283 3.956 -0.367) 5.842 1.415 ( 2.649 1.131 -1.169) 3.108 1.487 ( -1.888 -0.707 1.331) 2.416 1.496 ( 0.662 -0.751 0.897) 1.344 1.519 ( 2.314 1.085 0.582) 2.621 1.534 ( -0.573 1.023 -0.399) 1.239 1.634 ( -0.609 2.228 0.562) 2.377 1.650 ( 0.224 0.395 -0.872) 0.983 1.714 ( -1.678 2.136 0.994) 2.893 1.749 ( 1.197 -1.466 -2.256) 2.945 1.969 ( 0.045 2.628 1.680) 3.119 2.005 ( 0.754 0.483 -1.700) 1.921 2.082 ( -0.185 0.926 0.234) 0.973 2.112 ( -0.565 -1.087 -2.517) 2.800 2.223 ( -0.816 0.901 2.334) 2.632 2.228 ( 1.038 0.327 2.095) 2.361 2.284 ( -0.174 1.527 -0.687) 1.684 2.298 ( 0.268 -0.108 -1.600) 1.626 2.721 ( -0.818 2.856 0.085) 2.972 2.725 ( 0.789 3.439 -0.217) 3.535 2.784 ( 0.348 -2.933 0.607) 3.015 2.795 ( -0.575 -2.913 -0.362) 2.991 2.876 ( 0.275 3.309 0.437) 3.349 2.886 ( -0.160 3.112 -0.465) 3.151 2.907 ( -0.253 0.767 0.338) 0.875 2.912 ( 0.290 0.792 -0.148) 0.856 3.107 ( 0.021 1.993 1.130) 2.291 3.130 ( 0.091 1.518 -1.064) 1.856 3.215 ( 0.191 -7.138 0.610) 7.166 3.225 ( -0.263 -7.253 -0.349) 7.266 3.556 ( 0.416 1.386 0.593) 1.564 3.572 ( -0.371 1.016 -0.896) 1.405 3.610 ( -0.935 -2.398 0.537) 2.629 3.621 ( 0.826 -2.616 -0.472) 2.784 4.023 ( -0.779 9.003 0.227) 9.039 4.029 ( 0.883 9.047 -0.323) 9.095 4.108 ( -0.179 0.396 0.542) 0.695 4.116 ( 0.191 0.459 -0.229) 0.548 4.339 ( 0.296 0.033 1.162) 1.200 4.365 ( -0.090 -0.389 -1.327) 1.386 4.409 ( 0.163 -3.033 1.300) 3.304 4.435 ( -0.387 -3.628 -1.207) 3.843 5.329 ( 0.194 1.533 0.062) 1.547 5.331 ( -0.147 1.227 -0.103) 1.240 5.357 ( -0.358 -2.226 0.313) 2.276 5.363 ( 0.337 -2.631 -0.197) 2.660 5.627 ( -1.585 2.947 0.146) 3.350 5.629 ( 1.558 2.396 0.005) 2.858 5.636 ( 1.045 2.215 0.116) 2.452 5.644 ( -0.854 2.168 -0.414) 2.367 5.849 ( -0.008 10.463 1.033) 10.513 5.871 ( -0.194 8.609 -1.071) 8.677 6.065 ( -0.853 -9.151 1.014) 9.246 6.088 ( 0.845 -10.433 -1.115) 10.527 6.638 ( 0.723 1.646 0.250) 1.815 6.646 ( -0.845 -0.009 -0.504) 0.984 6.686 ( -0.529 -3.681 1.553) 4.030 6.715 ( 0.652 -5.061 -1.154) 5.232 7.557 ( -0.426 -2.071 0.305) 2.136 7.560 ( 0.238 -2.051 0.049) 2.065 7.567 ( 0.782 -2.193 -0.013) 2.328 7.571 ( -0.597 -2.376 -0.316) 2.470 10.635 ( 0.048 1.021 0.069) 1.024 10.637 ( -0.041 1.005 -0.086) 1.009 10.675 ( 0.026 -2.537 0.197) 2.545 10.679 ( -0.021 -2.705 -0.186) 2.711 11.183 ( 0.280 2.000 0.556) 2.095 11.197 ( -0.522 1.685 -0.736) 1.912 11.225 ( 0.561 -0.771 0.706) 1.186 11.238 ( -0.334 -1.030 -0.538) 1.210 11.587 ( 0.094 3.856 0.140) 3.860 11.591 ( -0.109 3.897 -0.232) 3.906 11.620 ( 0.303 1.467 0.537) 1.591 11.630 ( -0.281 1.011 -0.371) 1.113 12.029 ( 0.076 3.459 0.487) 3.494 12.045 ( -0.211 1.817 -1.107) 2.138 12.124 ( 0.628 -4.907 2.020) 5.343 12.160 ( -0.490 -6.794 -1.448) 6.963 ======================= Grid point 92 (50/52) ======================= q-point: (-0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -5.574 2.299 -0.339) 6.039 1.104 ( -0.854 0.384 -0.095) 0.941 1.143 ( -1.522 2.798 2.069) 3.798 1.174 ( -1.475 1.314 -0.680) 2.089 1.308 ( -1.511 0.826 -3.335) 3.753 1.321 ( -2.422 0.194 1.482) 2.846 1.384 ( 0.533 0.671 -0.149) 0.870 1.444 ( -0.232 4.084 2.001) 4.554 1.454 ( -1.955 -2.303 -0.371) 3.043 1.498 ( -1.292 3.049 -2.006) 3.872 1.525 ( 0.896 -0.882 1.070) 1.651 1.543 ( 0.518 -1.736 0.224) 1.825 1.630 ( -0.416 1.844 0.031) 1.891 1.674 ( 1.691 -0.760 1.135) 2.174 1.727 ( 0.796 3.729 0.393) 3.833 1.792 ( 2.772 -1.325 -1.135) 3.275 1.942 ( -3.679 2.577 0.922) 4.585 1.972 ( -2.522 0.357 -2.379) 3.485 2.057 ( -4.053 0.701 0.968) 4.226 2.074 ( -2.918 -0.914 0.221) 3.065 2.197 ( -0.881 2.729 -0.038) 2.868 2.230 ( -1.461 -0.171 0.717) 1.637 2.298 ( 1.585 1.253 0.117) 2.024 2.322 ( 1.749 -1.027 -1.008) 2.265 2.701 ( -1.397 5.281 0.580) 5.493 2.740 ( -1.316 2.268 -0.415) 2.654 2.779 ( 0.010 -1.397 -0.926) 1.677 2.804 ( 0.696 -3.690 0.974) 3.880 2.853 ( -1.307 2.997 0.248) 3.279 2.870 ( -1.038 2.071 -0.025) 2.317 2.877 ( -1.545 1.621 -0.042) 2.240 2.890 ( -0.248 0.039 -0.193) 0.316 3.166 ( 3.440 0.010 -0.029) 3.440 3.183 ( 4.624 -0.811 -0.312) 4.705 3.209 ( -0.916 -4.624 0.362) 4.728 3.225 ( 1.224 -5.229 -0.015) 5.371 3.541 ( -1.523 2.891 -0.069) 3.268 3.554 ( -0.501 3.603 0.095) 3.639 3.623 ( 1.785 -4.592 0.285) 4.935 3.651 ( 2.103 -4.721 -0.180) 5.171 4.015 ( 0.529 8.878 -0.133) 8.895 4.034 ( -0.035 8.557 0.084) 8.557 4.102 ( 0.264 0.233 -0.360) 0.503 4.129 ( -0.038 -0.338 0.219) 0.404 4.393 ( 3.520 -0.203 -0.153) 3.529 4.397 ( 3.944 -0.004 -0.386) 3.963 4.446 ( 2.059 -1.183 -0.184) 2.381 4.461 ( 3.095 -1.926 0.740) 3.719 5.296 ( -2.228 2.445 -0.169) 3.312 5.312 ( -1.552 2.414 0.172) 2.875 5.360 ( 0.290 -3.730 -0.025) 3.741 5.375 ( 0.766 -3.759 0.040) 3.837 5.601 ( -0.711 5.783 -0.131) 5.828 5.618 ( -0.437 5.647 0.198) 5.667 5.662 ( 0.832 -0.033 -0.857) 1.195 5.697 ( 2.699 -1.699 0.381) 3.212 5.854 ( 0.907 8.662 0.467) 8.721 5.886 ( 2.546 8.410 -0.107) 8.788 6.053 ( -0.693 -8.987 0.984) 9.067 6.100 ( 1.470 -10.312 -0.988) 10.463 6.625 ( -0.304 1.888 -0.264) 1.930 6.649 ( 0.607 2.007 0.322) 2.122 6.702 ( 1.280 -5.276 1.577) 5.654 6.736 ( 1.995 -6.014 -1.572) 6.528 7.544 ( -0.967 -0.638 -0.101) 1.163 7.562 ( -0.383 -0.721 -0.034) 0.816 7.567 ( 0.038 -2.529 -0.082) 2.531 7.594 ( 0.900 -3.503 0.224) 3.623 10.640 ( 0.430 0.968 -0.106) 1.065 10.641 ( 0.547 0.838 0.081) 1.004 10.679 ( 0.245 -2.473 0.082) 2.486 10.680 ( 0.253 -2.601 -0.087) 2.614 11.187 ( 0.285 2.144 -0.129) 2.167 11.208 ( 1.389 1.731 0.511) 2.277 11.230 ( 0.261 -0.823 -0.536) 1.016 11.251 ( 1.371 -1.224 0.181) 1.847 11.595 ( 0.816 3.753 -0.173) 3.845 11.602 ( 1.086 4.098 0.217) 4.245 11.627 ( 0.525 1.569 -0.333) 1.688 11.645 ( 1.600 0.929 0.307) 1.876 12.004 ( -2.906 2.505 -0.034) 3.837 12.017 ( -2.212 2.485 0.062) 3.327 12.108 ( -3.414 -5.719 -1.215) 6.771 12.124 ( -2.090 -5.921 1.165) 6.386 ======================= Grid point 93 (51/52) ======================= q-point: (-0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -4.552 9.157 0.010) 10.226 1.091 ( -2.040 3.806 1.656) 4.625 1.097 ( -0.977 3.072 -0.884) 3.343 1.183 ( 0.048 -0.614 0.927) 1.113 1.269 ( 0.054 1.196 -1.246) 1.728 1.322 ( 1.168 -3.019 -0.392) 3.261 1.373 ( -1.495 -0.777 0.559) 1.775 1.415 ( -1.423 -0.481 -2.348) 2.787 1.457 ( 0.032 2.008 0.183) 2.016 1.477 ( -0.224 3.864 1.204) 4.053 1.517 ( -1.501 -2.034 -0.417) 2.562 1.560 ( -0.863 -1.484 0.272) 1.738 1.599 ( -2.749 2.103 0.248) 3.470 1.679 ( -3.727 -2.329 1.380) 4.607 1.690 ( -3.932 3.633 0.357) 5.365 1.795 ( -2.865 -3.326 -0.146) 4.392 1.859 ( -4.549 3.649 -0.881) 5.897 1.907 ( -1.912 -0.889 -2.180) 3.033 1.937 ( -7.119 3.391 1.428) 8.013 1.975 ( -7.157 -0.511 1.076) 7.255 2.204 ( 0.865 2.198 -0.307) 2.382 2.216 ( 0.270 0.772 0.030) 0.819 2.308 ( -0.405 -0.174 -1.392) 1.460 2.339 ( -0.060 -2.348 1.041) 2.569 2.689 ( 1.042 3.960 -0.666) 4.148 2.716 ( 1.989 3.750 0.839) 4.327 2.782 ( 0.233 -1.779 -1.116) 2.113 2.809 ( 0.656 -2.880 0.643) 3.023 2.866 ( 1.396 2.283 0.302) 2.693 2.877 ( 2.043 2.882 -0.294) 3.546 2.887 ( 2.143 -0.401 0.602) 2.262 2.919 ( 2.989 -1.157 -0.074) 3.206 3.194 ( -0.036 -1.578 -0.659) 1.710 3.210 ( 2.446 -1.672 -1.495) 3.319 3.252 ( 1.032 -0.949 0.855) 1.642 3.278 ( 2.869 -2.718 1.130) 4.111 3.522 ( -0.488 5.703 0.169) 5.727 3.554 ( -0.092 5.388 -0.077) 5.389 3.649 ( 0.078 -5.505 0.418) 5.522 3.682 ( 0.598 -5.948 -0.369) 5.989 4.031 ( 0.440 7.051 -0.111) 7.066 4.035 ( -0.333 6.593 -0.025) 6.602 4.092 ( -1.527 0.621 0.171) 1.657 4.112 ( -1.924 0.042 -0.216) 1.937 4.435 ( 0.164 1.148 -0.863) 1.446 4.455 ( 3.223 -1.275 -0.403) 3.490 4.506 ( 3.211 0.812 0.677) 3.380 4.526 ( 3.311 -1.191 0.547) 3.561 5.269 ( -0.261 4.290 -0.108) 4.299 5.292 ( -0.618 4.105 0.066) 4.152 5.368 ( 0.436 -4.676 -0.124) 4.698 5.391 ( 0.478 -4.712 0.148) 4.739 5.592 ( -0.984 5.387 -0.566) 5.505 5.606 ( 0.132 6.581 0.586) 6.608 5.655 ( -1.011 -0.038 -0.138) 1.021 5.711 ( -0.755 -2.479 0.109) 2.594 5.930 ( 6.678 5.622 0.862) 8.772 5.962 ( 5.664 5.890 -0.460) 8.184 6.090 ( 4.964 -7.158 1.000) 8.768 6.159 ( 5.985 -9.957 -1.588) 11.725 6.641 ( 1.779 4.420 0.243) 4.771 6.684 ( 2.695 0.620 0.372) 2.790 6.737 ( 1.503 -4.557 -0.026) 4.798 6.776 ( 2.904 -7.677 -0.327) 8.214 7.501 ( -3.767 0.551 -0.564) 3.849 7.532 ( -3.237 -0.193 0.005) 3.243 7.540 ( -3.342 -1.885 0.131) 3.839 7.578 ( -3.298 -3.398 0.401) 4.752 10.650 ( 0.597 0.661 -0.069) 0.893 10.654 ( 0.697 0.514 0.033) 0.867 10.683 ( 0.181 -2.221 -0.201) 2.237 10.687 ( 0.323 -2.330 0.202) 2.361 11.203 ( 1.343 2.369 0.096) 2.724 11.237 ( 1.256 1.584 -0.621) 2.115 11.247 ( 1.860 -0.757 0.746) 2.142 11.281 ( 1.703 -1.389 -0.146) 2.203 11.615 ( 1.238 3.393 -0.282) 3.623 11.632 ( 1.691 4.199 0.672) 4.576 11.641 ( 1.212 2.154 -0.615) 2.547 11.686 ( 2.371 0.287 0.224) 2.399 11.931 ( -4.253 1.312 -0.084) 4.451 11.964 ( -3.332 2.045 0.811) 3.992 12.013 ( -5.049 -4.141 -1.767) 6.765 12.073 ( -3.790 -5.920 0.979) 7.097 ======================= Grid point 94 (52/52) ======================= q-point: (-0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.061 11.944 1.902) 12.095 1.069 ( 0.342 8.392 -1.638) 8.557 1.085 ( -1.140 1.656 0.790) 2.160 1.152 ( -3.215 4.074 -0.206) 5.194 1.259 ( -3.071 0.637 0.178) 3.141 1.317 ( -4.171 -2.748 0.017) 4.995 1.339 ( -3.362 -1.085 -0.968) 3.663 1.366 ( -1.793 -5.053 2.606) 5.961 1.404 ( -2.193 0.165 -2.694) 3.477 1.439 ( -3.416 -2.148 -0.427) 4.057 1.498 ( -0.124 3.432 0.634) 3.492 1.537 ( 0.601 2.148 0.376) 2.262 1.560 ( -2.397 0.849 -0.352) 2.568 1.596 ( -2.679 -3.811 -1.428) 4.872 1.634 ( -1.159 1.503 1.846) 2.648 1.702 ( -3.463 -0.162 -0.576) 3.515 1.789 ( -3.378 2.226 1.511) 4.319 1.843 ( -3.374 1.658 -1.096) 3.916 1.883 ( 0.177 -0.734 -1.524) 1.701 1.892 ( -1.943 0.101 1.226) 2.300 2.208 ( -0.429 3.756 0.990) 3.908 2.232 ( 1.059 1.173 -0.690) 1.725 2.298 ( 0.421 -2.242 -0.668) 2.377 2.325 ( -1.430 -3.916 0.623) 4.215 2.752 ( 5.290 2.877 -0.898) 6.089 2.800 ( 3.036 1.124 -1.089) 3.416 2.818 ( 5.748 0.776 1.182) 5.920 2.861 ( 3.872 -0.461 -0.142) 3.902 2.900 ( 1.943 1.752 -0.944) 2.781 2.915 ( 2.364 1.557 -0.805) 2.943 2.932 ( 1.474 1.362 1.376) 2.433 2.978 ( 2.211 -1.595 0.905) 2.873 3.194 ( 0.007 -1.164 0.270) 1.195 3.222 ( -1.428 -2.866 -0.626) 3.263 3.253 ( -0.622 0.530 0.376) 0.899 3.305 ( -0.957 -3.759 0.680) 3.938 3.522 ( 0.608 4.820 0.258) 4.865 3.538 ( -1.011 5.288 -0.309) 5.392 3.619 ( -3.093 -3.749 -0.279) 4.868 3.651 ( -3.730 -5.065 0.051) 6.290 4.014 ( -1.501 4.592 0.084) 4.832 4.020 ( -1.065 4.519 -0.265) 4.650 4.049 ( -2.843 1.749 1.135) 3.525 4.061 ( -2.279 1.554 -0.860) 2.889 4.431 ( 0.136 3.772 0.687) 3.837 4.521 ( 3.338 -4.218 0.825) 5.442 4.533 ( 0.323 2.633 -1.073) 2.862 4.596 ( 3.090 -3.159 -0.530) 4.451 5.258 ( -1.434 5.427 -0.056) 5.614 5.271 ( -1.745 6.063 -0.094) 6.310 5.368 ( -0.313 -4.669 0.087) 4.681 5.392 ( -0.331 -5.091 -0.041) 5.102 5.577 ( 0.437 3.765 0.058) 3.790 5.628 ( 1.642 3.006 0.176) 3.429 5.646 ( -0.117 -1.858 0.878) 2.058 5.691 ( -1.102 -1.860 -0.753) 2.290 6.111 ( 10.934 6.175 0.226) 12.559 6.113 ( 10.039 6.023 0.735) 11.731 6.231 ( 7.177 -3.443 0.566) 7.980 6.285 ( 6.959 -7.403 -2.259) 10.408 6.681 ( 1.933 4.435 -0.081) 4.839 6.730 ( 1.140 0.380 0.139) 1.209 6.768 ( 1.835 -3.444 0.380) 3.921 6.817 ( 0.904 -7.806 -0.058) 7.859 7.401 ( -5.365 1.000 -0.364) 5.470 7.441 ( -5.561 -2.424 -0.196) 6.069 7.446 ( -5.763 0.170 0.334) 5.775 7.476 ( -6.720 -2.402 0.211) 7.139 10.660 ( 0.442 0.215 0.046) 0.494 10.666 ( 0.444 0.231 -0.044) 0.502 10.684 ( 0.045 -1.813 -0.034) 1.814 10.692 ( 0.101 -2.073 0.049) 2.076 11.235 ( 1.597 2.403 0.415) 2.915 11.259 ( 1.386 1.322 -0.738) 2.052 11.289 ( 1.636 -0.448 0.914) 1.926 11.311 ( 1.586 -1.270 -0.500) 2.093 11.631 ( 0.462 3.603 -0.037) 3.633 11.650 ( 0.348 2.619 -0.559) 2.700 11.679 ( 2.240 2.888 0.688) 3.719 11.727 ( 1.408 -1.263 0.017) 1.891 11.857 ( -3.068 0.135 0.239) 3.081 11.900 ( -4.172 -3.171 -0.045) 5.240 11.929 ( -1.582 2.064 -0.433) 2.636 12.001 ( -3.805 -4.162 -0.010) 5.639 =================== 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 3/14112 10.0 31.174 37.458 17.412 0.000 0.130 0.000 3/14112 20.0 7.291 9.655 3.366 0.000 -0.035 0.000 3/14112 30.0 3.556 4.663 1.557 0.000 -0.032 0.000 3/14112 40.0 2.302 2.982 0.980 0.000 -0.026 0.000 3/14112 50.0 1.704 2.193 0.713 0.000 -0.021 0.000 3/14112 60.0 1.360 1.744 0.562 0.000 -0.017 0.000 3/14112 70.0 1.136 1.456 0.466 0.000 -0.015 0.000 3/14112 80.0 0.980 1.256 0.399 0.000 -0.013 0.000 3/14112 90.0 0.864 1.108 0.350 0.000 -0.011 0.000 3/14112 100.0 0.774 0.994 0.313 0.000 -0.010 0.000 3/14112 110.0 0.703 0.903 0.283 0.000 -0.009 0.000 3/14112 120.0 0.645 0.829 0.259 0.000 -0.008 0.000 3/14112 130.0 0.596 0.767 0.239 0.000 -0.008 0.000 3/14112 140.0 0.555 0.715 0.222 0.000 -0.007 0.000 3/14112 150.0 0.519 0.670 0.208 0.000 -0.006 0.000 3/14112 160.0 0.488 0.631 0.195 0.000 -0.006 0.000 3/14112 170.0 0.461 0.596 0.184 0.000 -0.005 0.000 3/14112 180.0 0.437 0.565 0.174 0.000 -0.005 0.000 3/14112 190.0 0.415 0.538 0.165 0.000 -0.005 0.000 3/14112 200.0 0.396 0.513 0.157 0.000 -0.004 0.000 3/14112 210.0 0.378 0.491 0.150 0.000 -0.004 0.000 3/14112 220.0 0.362 0.470 0.144 0.000 -0.004 0.000 3/14112 230.0 0.347 0.451 0.138 0.000 -0.004 0.000 3/14112 240.0 0.334 0.434 0.132 0.000 -0.004 0.000 3/14112 250.0 0.321 0.418 0.127 0.000 -0.003 0.000 3/14112 260.0 0.310 0.404 0.123 0.000 -0.003 0.000 3/14112 270.0 0.299 0.390 0.118 0.000 -0.003 0.000 3/14112 280.0 0.289 0.377 0.114 0.000 -0.003 0.000 3/14112 290.0 0.280 0.365 0.110 0.000 -0.003 0.000 3/14112 300.0 0.271 0.354 0.107 0.000 -0.003 0.000 3/14112 310.0 0.263 0.343 0.104 0.000 -0.003 0.000 3/14112 320.0 0.255 0.334 0.101 0.000 -0.002 0.000 3/14112 330.0 0.248 0.324 0.098 0.000 -0.002 0.000 3/14112 340.0 0.241 0.315 0.095 0.000 -0.002 0.000 3/14112 350.0 0.234 0.307 0.092 0.000 -0.002 0.000 3/14112 360.0 0.228 0.299 0.090 0.000 -0.002 0.000 3/14112 370.0 0.223 0.292 0.087 0.000 -0.002 0.000 3/14112 380.0 0.217 0.284 0.085 0.000 -0.002 0.000 3/14112 390.0 0.212 0.278 0.083 0.000 -0.002 0.000 3/14112 400.0 0.207 0.271 0.081 0.000 -0.002 0.000 3/14112 410.0 0.202 0.265 0.079 0.000 -0.002 0.000 3/14112 420.0 0.197 0.259 0.077 0.000 -0.002 0.000 3/14112 430.0 0.193 0.254 0.076 0.000 -0.002 0.000 3/14112 440.0 0.189 0.248 0.074 0.000 -0.002 0.000 3/14112 450.0 0.185 0.243 0.072 0.000 -0.002 0.000 3/14112 460.0 0.181 0.238 0.071 0.000 -0.002 0.000 3/14112 470.0 0.177 0.233 0.069 0.000 -0.002 0.000 3/14112 480.0 0.174 0.229 0.068 0.000 -0.002 0.000 3/14112 490.0 0.170 0.224 0.067 0.000 -0.001 0.000 3/14112 500.0 0.167 0.220 0.065 0.000 -0.001 0.000 3/14112 510.0 0.164 0.216 0.064 0.000 -0.001 0.000 3/14112 520.0 0.161 0.212 0.063 0.000 -0.001 0.000 3/14112 530.0 0.158 0.208 0.062 0.000 -0.001 0.000 3/14112 540.0 0.155 0.205 0.061 0.000 -0.001 0.000 3/14112 550.0 0.153 0.201 0.060 0.000 -0.001 0.000 3/14112 560.0 0.150 0.198 0.059 0.000 -0.001 0.000 3/14112 570.0 0.148 0.195 0.058 0.000 -0.001 0.000 3/14112 580.0 0.145 0.191 0.057 0.000 -0.001 0.000 3/14112 590.0 0.143 0.188 0.056 0.000 -0.001 0.000 3/14112 600.0 0.140 0.185 0.055 0.000 -0.001 0.000 3/14112 610.0 0.138 0.182 0.054 0.000 -0.001 0.000 3/14112 620.0 0.136 0.180 0.053 0.000 -0.001 0.000 3/14112 630.0 0.134 0.177 0.052 0.000 -0.001 0.000 3/14112 640.0 0.132 0.174 0.051 0.000 -0.001 0.000 3/14112 650.0 0.130 0.172 0.051 0.000 -0.001 0.000 3/14112 660.0 0.128 0.169 0.050 0.000 -0.001 0.000 3/14112 670.0 0.126 0.167 0.049 0.000 -0.001 0.000 3/14112 680.0 0.124 0.165 0.048 0.000 -0.001 0.000 3/14112 690.0 0.123 0.162 0.048 0.000 -0.001 0.000 3/14112 700.0 0.121 0.160 0.047 0.000 -0.001 0.000 3/14112 710.0 0.119 0.158 0.046 0.000 -0.001 0.000 3/14112 720.0 0.118 0.156 0.046 0.000 -0.001 0.000 3/14112 730.0 0.116 0.154 0.045 0.000 -0.001 0.000 3/14112 740.0 0.115 0.152 0.045 0.000 -0.001 0.000 3/14112 750.0 0.113 0.150 0.044 0.000 -0.001 0.000 3/14112 760.0 0.112 0.148 0.043 0.000 -0.001 0.000 3/14112 770.0 0.110 0.146 0.043 0.000 -0.001 0.000 3/14112 780.0 0.109 0.144 0.042 0.000 -0.001 0.000 3/14112 790.0 0.108 0.143 0.042 0.000 -0.001 0.000 3/14112 800.0 0.106 0.141 0.041 0.000 -0.001 0.000 3/14112 810.0 0.105 0.139 0.041 0.000 -0.001 0.000 3/14112 820.0 0.104 0.138 0.040 0.000 -0.001 0.000 3/14112 830.0 0.103 0.136 0.040 0.000 -0.001 0.000 3/14112 840.0 0.101 0.134 0.039 0.000 -0.001 0.000 3/14112 850.0 0.100 0.133 0.039 0.000 -0.001 0.000 3/14112 860.0 0.099 0.131 0.039 0.000 -0.001 0.000 3/14112 870.0 0.098 0.130 0.038 0.000 -0.001 0.000 3/14112 880.0 0.097 0.129 0.038 0.000 -0.001 0.000 3/14112 890.0 0.096 0.127 0.037 0.000 -0.001 0.000 3/14112 900.0 0.095 0.126 0.037 0.000 -0.001 0.000 3/14112 910.0 0.094 0.125 0.036 0.000 -0.001 0.000 3/14112 920.0 0.093 0.123 0.036 0.000 -0.001 0.000 3/14112 930.0 0.092 0.122 0.036 0.000 -0.001 0.000 3/14112 940.0 0.091 0.121 0.035 0.000 -0.001 0.000 3/14112 950.0 0.090 0.119 0.035 0.000 -0.001 0.000 3/14112 960.0 0.089 0.118 0.035 0.000 -0.001 0.000 3/14112 970.0 0.088 0.117 0.034 0.000 -0.001 0.000 3/14112 980.0 0.087 0.116 0.034 0.000 -0.001 0.000 3/14112 990.0 0.086 0.115 0.034 0.000 -0.001 0.000 3/14112 1000.0 0.086 0.114 0.033 0.000 -0.001 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m873.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:54:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|