----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.206808940196801 -3.353943465000000 0.000000000000000 b 7.206808940196801 3.353943465000000 0.000000000000000 c -5.521845724569483 0.000000000000000 8.766378267967989 Atomic positions (fractional): *1 O 0.38651192771005 0.57785562751708 0.10234945104800 15.999 2 O 0.42214437248292 0.61348807228995 0.39765054895200 15.999 3 O 0.61348807228995 0.42214437248292 0.89765054895200 15.999 4 O 0.57785562751708 0.38651192771005 0.60234945104800 15.999 *5 O 0.26969519723504 0.13232183771622 0.43946824688388 15.999 6 O 0.86767816228378 0.73030480276496 0.06053175311612 15.999 7 O 0.73030480276496 0.86767816228378 0.56053175311612 15.999 8 O 0.13232183771622 0.26969519723504 0.93946824688388 15.999 *9 O 0.15025447120533 0.44521651289159 0.32546683995144 15.999 10 O 0.55478348710841 0.84974552879467 0.17453316004856 15.999 11 O 0.84974552879467 0.55478348710841 0.67453316004856 15.999 12 O 0.44521651289159 0.15025447120533 0.82546683995144 15.999 *13 O 0.40719105095448 0.82958599427393 0.81992718448377 15.999 14 O 0.17041400572607 0.59280894904552 0.68007281551623 15.999 15 O 0.59280894904552 0.17041400572607 0.18007281551623 15.999 16 O 0.82958599427393 0.40719105095448 0.31992718448377 15.999 *17 O 0.08997386533227 0.08812988658061 0.64042477372931 15.999 18 O 0.91187011341939 0.91002613466773 0.85957522627069 15.999 19 O 0.91002613466773 0.91187011341939 0.35957522627069 15.999 20 O 0.08812988658061 0.08997386533227 0.14042477372931 15.999 *21 Si 0.09111548029838 0.27276554238031 0.30791479663268 28.085 22 Si 0.72723445761969 0.90888451970162 0.19208520336732 28.085 23 Si 0.90888451970162 0.72723445761969 0.69208520336732 28.085 24 Si 0.27276554238031 0.09111548029838 0.80791479663268 28.085 *25 Y 0.70807827975721 0.21989896130468 0.03571640601323 88.906 26 Y 0.78010103869532 0.29192172024279 0.46428359398677 88.906 27 Y 0.29192172024279 0.78010103869532 0.96428359398677 88.906 28 Y 0.21989896130468 0.70807827975721 0.53571640601323 88.906 *29 Y 0.51586125986549 0.76561313008473 0.33483831525271 88.906 30 Y 0.23438686991527 0.48413874013451 0.16516168474729 88.906 31 Y 0.48413874013451 0.23438686991527 0.66516168474729 88.906 32 Y 0.76561313008473 0.51586125986549 0.83483831525271 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.413617880393602 0.000000000000000 0.000000000000000 b 0.000000000000000 6.707886930000000 0.000000000000000 c -5.521845724569483 0.000000000000000 8.766378267967989 Atomic positions (fractional): *1 O 0.98218377761357 0.59567184990351 0.10234945104800 15.999 > 1 2 O 0.01781622238643 0.59567184990351 0.39765054895200 15.999 > 2 3 O 0.01781622238643 0.40432815009648 0.89765054895200 15.999 > 3 4 O 0.98218377761357 0.40432815009648 0.60234945104800 15.999 > 4 *5 O 0.20100851747563 0.93131332024059 0.43946824688388 15.999 > 5 6 O 0.79899148252437 0.93131332024059 0.06053175311612 15.999 > 6 7 O 0.79899148252437 0.06868667975941 0.56053175311612 15.999 > 7 8 O 0.20100851747563 0.06868667975941 0.93946824688388 15.999 > 8 *9 O 0.79773549204846 0.64748102084313 0.32546683995144 15.999 > 9 10 O 0.70226450795154 0.14748102084313 0.17453316004856 15.999 > 10 11 O 0.20226450795154 0.35251897915687 0.67453316004856 15.999 > 11 12 O 0.29773549204846 0.85251897915687 0.82546683995144 15.999 > 12 *13 O 0.11838852261421 0.71119747165973 0.81992718448377 15.999 > 13 14 O 0.88161147738579 0.71119747165973 0.68007281551623 15.999 > 14 15 O 0.88161147738579 0.28880252834027 0.18007281551623 15.999 > 15 16 O 0.11838852261421 0.28880252834027 0.31992718448377 15.999 > 16 *17 O 0.08905187595644 0.99907801062417 0.64042477372931 15.999 > 17 18 O 0.41094812404356 0.49907801062417 0.85957522627069 15.999 > 18 19 O 0.91094812404356 0.00092198937583 0.35957522627069 15.999 > 19 20 O 0.58905187595644 0.50092198937583 0.14042477372931 15.999 > 20 21 O 0.48218377761357 0.09567184990352 0.10234945104800 15.999 > 1 22 O 0.51781622238643 0.09567184990352 0.39765054895200 15.999 > 2 23 O 0.51781622238643 0.90432815009649 0.89765054895200 15.999 > 3 24 O 0.48218377761357 0.90432815009649 0.60234945104800 15.999 > 4 25 O 0.70100851747563 0.43131332024059 0.43946824688388 15.999 > 5 26 O 0.29899148252437 0.43131332024059 0.06053175311612 15.999 > 6 27 O 0.29899148252437 0.56868667975941 0.56053175311612 15.999 > 7 28 O 0.70100851747563 0.56868667975941 0.93946824688388 15.999 > 8 29 O 0.29773549204846 0.14748102084313 0.32546683995144 15.999 > 9 30 O 0.20226450795154 0.64748102084313 0.17453316004856 15.999 > 10 31 O 0.70226450795154 0.85251897915687 0.67453316004856 15.999 > 11 32 O 0.79773549204846 0.35251897915687 0.82546683995144 15.999 > 12 33 O 0.61838852261421 0.21119747165972 0.81992718448377 15.999 > 13 34 O 0.38161147738579 0.21119747165972 0.68007281551623 15.999 > 14 35 O 0.38161147738579 0.78880252834027 0.18007281551623 15.999 > 15 36 O 0.61838852261421 0.78880252834027 0.31992718448377 15.999 > 16 37 O 0.58905187595644 0.49907801062417 0.64042477372931 15.999 > 17 38 O 0.91094812404356 0.99907801062417 0.85957522627069 15.999 > 18 39 O 0.41094812404356 0.50092198937583 0.35957522627069 15.999 > 19 40 O 0.08905187595644 0.00092198937583 0.14042477372931 15.999 > 20 *41 Si 0.68194051133934 0.59082503104097 0.30791479663268 28.085 > 21 42 Si 0.81805948866066 0.09082503104097 0.19208520336732 28.085 > 22 43 Si 0.31805948866065 0.40917496895903 0.69208520336732 28.085 > 23 44 Si 0.18194051133934 0.90917496895903 0.80791479663268 28.085 > 24 45 Si 0.18194051133934 0.09082503104097 0.30791479663268 28.085 > 21 46 Si 0.31805948866065 0.59082503104097 0.19208520336732 28.085 > 22 47 Si 0.81805948866066 0.90917496895903 0.69208520336732 28.085 > 23 48 Si 0.68194051133934 0.40917496895903 0.80791479663268 28.085 > 24 *49 Y 0.96398862053094 0.25591034077373 0.03571640601323 88.906 > 25 50 Y 0.03601137946906 0.25591034077373 0.46428359398677 88.906 > 26 51 Y 0.03601137946906 0.74408965922627 0.96428359398677 88.906 > 27 52 Y 0.96398862053094 0.74408965922627 0.53571640601323 88.906 > 28 *53 Y 0.14073719497511 0.62487593510962 0.33483831525271 88.906 > 29 54 Y 0.85926280502489 0.62487593510962 0.16516168474729 88.906 > 30 55 Y 0.85926280502489 0.37512406489038 0.66516168474729 88.906 > 31 56 Y 0.14073719497511 0.37512406489038 0.83483831525271 88.906 > 32 57 Y 0.46398862053094 0.75591034077373 0.03571640601323 88.906 > 25 58 Y 0.53601137946906 0.75591034077373 0.46428359398677 88.906 > 26 59 Y 0.53601137946906 0.24408965922627 0.96428359398677 88.906 > 27 60 Y 0.46398862053094 0.24408965922627 0.53571640601323 88.906 > 28 61 Y 0.64073719497511 0.12487593510962 0.33483831525271 88.906 > 29 62 Y 0.35926280502489 0.12487593510962 0.16516168474729 88.906 > 30 63 Y 0.35926280502489 0.87512406489038 0.66516168474729 88.906 > 31 64 Y 0.64073719497511 0.87512406489038 0.83483831525271 88.906 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.413617880393602 0.000000000000000 0.000000000000000 b 0.000000000000000 13.415773860000000 0.000000000000000 c -5.521845724569483 0.000000000000000 8.766378267967989 Atomic positions (fractional): *1 O 0.98218377761357 0.29783592495176 0.10234945104800 15.999 > 1 2 O 0.98218377761357 0.79783592495176 0.10234945104800 15.999 > 1 3 O 0.01781622238643 0.29783592495176 0.39765054895200 15.999 > 2 4 O 0.01781622238643 0.79783592495176 0.39765054895200 15.999 > 2 5 O 0.01781622238643 0.20216407504824 0.89765054895200 15.999 > 3 6 O 0.01781622238643 0.70216407504824 0.89765054895200 15.999 > 3 7 O 0.98218377761357 0.20216407504824 0.60234945104800 15.999 > 4 8 O 0.98218377761357 0.70216407504824 0.60234945104800 15.999 > 4 *9 O 0.20100851747563 0.46565666012029 0.43946824688388 15.999 > 5 10 O 0.20100851747563 0.96565666012029 0.43946824688388 15.999 > 5 11 O 0.79899148252437 0.46565666012029 0.06053175311612 15.999 > 6 12 O 0.79899148252437 0.96565666012029 0.06053175311612 15.999 > 6 13 O 0.79899148252437 0.03434333987971 0.56053175311612 15.999 > 7 14 O 0.79899148252437 0.53434333987971 0.56053175311612 15.999 > 7 15 O 0.20100851747563 0.03434333987971 0.93946824688388 15.999 > 8 16 O 0.20100851747563 0.53434333987971 0.93946824688388 15.999 > 8 *17 O 0.79773549204846 0.32374051042157 0.32546683995144 15.999 > 9 18 O 0.79773549204846 0.82374051042157 0.32546683995144 15.999 > 9 19 O 0.70226450795154 0.07374051042157 0.17453316004856 15.999 > 10 20 O 0.70226450795154 0.57374051042157 0.17453316004856 15.999 > 10 21 O 0.20226450795154 0.17625948957843 0.67453316004856 15.999 > 11 22 O 0.20226450795154 0.67625948957843 0.67453316004856 15.999 > 11 23 O 0.29773549204846 0.42625948957843 0.82546683995144 15.999 > 12 24 O 0.29773549204846 0.92625948957843 0.82546683995144 15.999 > 12 *25 O 0.11838852261421 0.35559873582986 0.81992718448377 15.999 > 13 26 O 0.11838852261421 0.85559873582986 0.81992718448377 15.999 > 13 27 O 0.88161147738579 0.35559873582986 0.68007281551623 15.999 > 14 28 O 0.88161147738579 0.85559873582986 0.68007281551623 15.999 > 14 29 O 0.88161147738579 0.14440126417014 0.18007281551623 15.999 > 15 30 O 0.88161147738579 0.64440126417014 0.18007281551623 15.999 > 15 31 O 0.11838852261421 0.14440126417014 0.31992718448377 15.999 > 16 32 O 0.11838852261421 0.64440126417014 0.31992718448377 15.999 > 16 *33 O 0.08905187595644 0.49953900531208 0.64042477372931 15.999 > 17 34 O 0.08905187595644 0.99953900531208 0.64042477372931 15.999 > 17 35 O 0.41094812404356 0.24953900531208 0.85957522627069 15.999 > 18 36 O 0.41094812404356 0.74953900531208 0.85957522627069 15.999 > 18 37 O 0.91094812404356 0.00046099468792 0.35957522627069 15.999 > 19 38 O 0.91094812404356 0.50046099468792 0.35957522627069 15.999 > 19 39 O 0.58905187595644 0.25046099468792 0.14042477372931 15.999 > 20 40 O 0.58905187595644 0.75046099468792 0.14042477372931 15.999 > 20 41 O 0.48218377761357 0.04783592495176 0.10234945104800 15.999 > 1 42 O 0.48218377761357 0.54783592495176 0.10234945104800 15.999 > 1 43 O 0.51781622238643 0.04783592495176 0.39765054895200 15.999 > 2 44 O 0.51781622238643 0.54783592495176 0.39765054895200 15.999 > 2 45 O 0.51781622238643 0.45216407504824 0.89765054895200 15.999 > 3 46 O 0.51781622238643 0.95216407504824 0.89765054895200 15.999 > 3 47 O 0.48218377761357 0.45216407504824 0.60234945104800 15.999 > 4 48 O 0.48218377761357 0.95216407504824 0.60234945104800 15.999 > 4 49 O 0.70100851747563 0.21565666012029 0.43946824688388 15.999 > 5 50 O 0.70100851747563 0.71565666012029 0.43946824688388 15.999 > 5 51 O 0.29899148252437 0.21565666012029 0.06053175311612 15.999 > 6 52 O 0.29899148252437 0.71565666012029 0.06053175311612 15.999 > 6 53 O 0.29899148252437 0.28434333987971 0.56053175311612 15.999 > 7 54 O 0.29899148252437 0.78434333987971 0.56053175311612 15.999 > 7 55 O 0.70100851747563 0.28434333987971 0.93946824688388 15.999 > 8 56 O 0.70100851747563 0.78434333987971 0.93946824688388 15.999 > 8 57 O 0.29773549204846 0.07374051042157 0.32546683995144 15.999 > 9 58 O 0.29773549204846 0.57374051042157 0.32546683995144 15.999 > 9 59 O 0.20226450795154 0.32374051042157 0.17453316004856 15.999 > 10 60 O 0.20226450795154 0.82374051042157 0.17453316004856 15.999 > 10 61 O 0.70226450795154 0.42625948957843 0.67453316004856 15.999 > 11 62 O 0.70226450795154 0.92625948957843 0.67453316004856 15.999 > 11 63 O 0.79773549204846 0.17625948957843 0.82546683995144 15.999 > 12 64 O 0.79773549204846 0.67625948957843 0.82546683995144 15.999 > 12 65 O 0.61838852261421 0.10559873582986 0.81992718448377 15.999 > 13 66 O 0.61838852261421 0.60559873582986 0.81992718448377 15.999 > 13 67 O 0.38161147738579 0.10559873582986 0.68007281551623 15.999 > 14 68 O 0.38161147738579 0.60559873582986 0.68007281551623 15.999 > 14 69 O 0.38161147738579 0.39440126417014 0.18007281551623 15.999 > 15 70 O 0.38161147738579 0.89440126417014 0.18007281551623 15.999 > 15 71 O 0.61838852261421 0.39440126417014 0.31992718448377 15.999 > 16 72 O 0.61838852261421 0.89440126417014 0.31992718448377 15.999 > 16 73 O 0.58905187595644 0.24953900531208 0.64042477372931 15.999 > 17 74 O 0.58905187595644 0.74953900531208 0.64042477372931 15.999 > 17 75 O 0.91094812404356 0.49953900531208 0.85957522627069 15.999 > 18 76 O 0.91094812404356 0.99953900531208 0.85957522627069 15.999 > 18 77 O 0.41094812404356 0.25046099468792 0.35957522627069 15.999 > 19 78 O 0.41094812404356 0.75046099468792 0.35957522627069 15.999 > 19 79 O 0.08905187595644 0.00046099468792 0.14042477372931 15.999 > 20 80 O 0.08905187595644 0.50046099468792 0.14042477372931 15.999 > 20 *81 Si 0.68194051133934 0.29541251552048 0.30791479663268 28.085 > 21 82 Si 0.68194051133934 0.79541251552048 0.30791479663268 28.085 > 21 83 Si 0.81805948866066 0.04541251552048 0.19208520336732 28.085 > 22 84 Si 0.81805948866066 0.54541251552048 0.19208520336732 28.085 > 22 85 Si 0.31805948866065 0.20458748447952 0.69208520336732 28.085 > 23 86 Si 0.31805948866065 0.70458748447952 0.69208520336732 28.085 > 23 87 Si 0.18194051133934 0.45458748447952 0.80791479663268 28.085 > 24 88 Si 0.18194051133934 0.95458748447952 0.80791479663268 28.085 > 24 89 Si 0.18194051133934 0.04541251552048 0.30791479663268 28.085 > 21 90 Si 0.18194051133934 0.54541251552048 0.30791479663268 28.085 > 21 91 Si 0.31805948866065 0.29541251552048 0.19208520336732 28.085 > 22 92 Si 0.31805948866065 0.79541251552048 0.19208520336732 28.085 > 22 93 Si 0.81805948866066 0.45458748447952 0.69208520336732 28.085 > 23 94 Si 0.81805948866066 0.95458748447952 0.69208520336732 28.085 > 23 95 Si 0.68194051133934 0.20458748447952 0.80791479663268 28.085 > 24 96 Si 0.68194051133934 0.70458748447952 0.80791479663268 28.085 > 24 *97 Y 0.96398862053094 0.12795517038687 0.03571640601323 88.906 > 25 98 Y 0.96398862053094 0.62795517038687 0.03571640601323 88.906 > 25 99 Y 0.03601137946906 0.12795517038687 0.46428359398677 88.906 > 26 100 Y 0.03601137946906 0.62795517038687 0.46428359398677 88.906 > 26 101 Y 0.03601137946906 0.37204482961313 0.96428359398677 88.906 > 27 102 Y 0.03601137946906 0.87204482961313 0.96428359398677 88.906 > 27 103 Y 0.96398862053094 0.37204482961313 0.53571640601323 88.906 > 28 104 Y 0.96398862053094 0.87204482961313 0.53571640601323 88.906 > 28 *105 Y 0.14073719497511 0.31243796755481 0.33483831525271 88.906 > 29 106 Y 0.14073719497511 0.81243796755481 0.33483831525271 88.906 > 29 107 Y 0.85926280502489 0.31243796755481 0.16516168474729 88.906 > 30 108 Y 0.85926280502489 0.81243796755481 0.16516168474729 88.906 > 30 109 Y 0.85926280502489 0.18756203244519 0.66516168474729 88.906 > 31 110 Y 0.85926280502489 0.68756203244519 0.66516168474729 88.906 > 31 111 Y 0.14073719497511 0.18756203244519 0.83483831525271 88.906 > 32 112 Y 0.14073719497511 0.68756203244519 0.83483831525271 88.906 > 32 113 Y 0.46398862053094 0.37795517038687 0.03571640601323 88.906 > 25 114 Y 0.46398862053094 0.87795517038687 0.03571640601323 88.906 > 25 115 Y 0.53601137946906 0.37795517038687 0.46428359398677 88.906 > 26 116 Y 0.53601137946906 0.87795517038687 0.46428359398677 88.906 > 26 117 Y 0.53601137946906 0.12204482961313 0.96428359398677 88.906 > 27 118 Y 0.53601137946906 0.62204482961313 0.96428359398677 88.906 > 27 119 Y 0.46398862053094 0.12204482961313 0.53571640601323 88.906 > 28 120 Y 0.46398862053094 0.62204482961313 0.53571640601323 88.906 > 28 121 Y 0.64073719497511 0.06243796755481 0.33483831525271 88.906 > 29 122 Y 0.64073719497511 0.56243796755481 0.33483831525271 88.906 > 29 123 Y 0.35926280502489 0.06243796755481 0.16516168474729 88.906 > 30 124 Y 0.35926280502489 0.56243796755481 0.16516168474729 88.906 > 30 125 Y 0.35926280502489 0.43756203244519 0.66516168474729 88.906 > 31 126 Y 0.35926280502489 0.93756203244519 0.66516168474729 88.906 > 31 127 Y 0.64073719497511 0.43756203244519 0.83483831525271 88.906 > 32 128 Y 0.64073719497511 0.93756203244519 0.83483831525271 88.906 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5352193 0.0000000 -0.0348611 0.0000000 3.5263546 0.0000000 -0.0348607 0.0000000 3.6231432 -------------------------- Born effective charges -------------------------- 1 O -2.7482198 -0.1792720 0.4435417 -0.2586127 -2.0317649 -0.0111164 0.4348907 -0.0903619 -2.3454896 2 O -2.7482198 0.1792720 0.4435417 0.2586127 -2.0317649 0.0111164 0.4348907 0.0903619 -2.3454896 3 O -2.7482198 -0.1792720 0.4435417 -0.2586127 -2.0317649 -0.0111164 0.4348907 -0.0903619 -2.3454896 4 O -2.7482198 0.1792720 0.4435417 0.2586127 -2.0317649 0.0111164 0.4348907 0.0903619 -2.3454896 5 O -1.4921788 -0.2086777 -0.3002937 -0.1871017 -2.3246981 0.2651782 -0.2388559 0.2659309 -2.4036159 6 O -1.4921788 0.2086777 -0.3002937 0.1871017 -2.3246981 -0.2651782 -0.2388559 -0.2659309 -2.4036159 7 O -1.4921788 -0.2086777 -0.3002937 -0.1871017 -2.3246981 0.2651782 -0.2388559 0.2659309 -2.4036159 8 O -1.4921788 0.2086777 -0.3002937 0.1871017 -2.3246981 -0.2651782 -0.2388559 -0.2659309 -2.4036159 9 O -2.9462036 -0.2744064 -0.0064834 -0.3017240 -1.3522010 -0.1690886 -0.0446139 -0.1748862 -1.9195311 10 O -2.9462036 0.2744064 -0.0064834 0.3017240 -1.3522010 0.1690886 -0.0446139 0.1748862 -1.9195311 11 O -2.9462036 -0.2744064 -0.0064834 -0.3017240 -1.3522010 -0.1690886 -0.0446139 -0.1748862 -1.9195311 12 O -2.9462036 0.2744064 -0.0064834 0.3017240 -1.3522010 0.1690886 -0.0446139 0.1748862 -1.9195311 13 O -2.0132950 -0.4235213 0.1826982 -0.4217422 -2.4997418 0.1033088 0.2118392 0.1329304 -1.8217207 14 O -2.0132950 0.4235213 0.1826982 0.4217422 -2.4997418 -0.1033088 0.2118392 -0.1329304 -1.8217207 15 O -2.0132950 -0.4235213 0.1826982 -0.4217422 -2.4997418 0.1033088 0.2118392 0.1329304 -1.8217207 16 O -2.0132950 0.4235213 0.1826982 0.4217422 -2.4997418 -0.1033088 0.2118392 -0.1329304 -1.8217207 17 O -1.4289361 -0.2615791 -0.3653798 -0.2680260 -2.3223459 0.3650982 -0.3690994 0.2731216 -2.3748549 18 O -1.4289361 0.2615791 -0.3653798 0.2680260 -2.3223459 -0.3650982 -0.3690994 -0.2731216 -2.3748549 19 O -1.4289361 -0.2615791 -0.3653798 -0.2680260 -2.3223459 0.3650982 -0.3690994 0.2731216 -2.3748549 20 O -1.4289361 0.2615791 -0.3653798 0.2680260 -2.3223459 -0.3650982 -0.3690994 -0.2731216 -2.3748549 21 Si 3.4344865 -0.1147795 0.3050407 -0.0582577 3.1226542 -0.1318249 0.1568328 -0.0155158 3.0580643 22 Si 3.4344865 0.1147795 0.3050407 0.0582577 3.1226542 0.1318249 0.1568328 0.0155158 3.0580643 23 Si 3.4344865 -0.1147795 0.3050407 -0.0582577 3.1226542 -0.1318249 0.1568328 -0.0155158 3.0580643 24 Si 3.4344865 0.1147795 0.3050407 0.0582577 3.1226542 0.1318249 0.1568328 0.0155158 3.0580643 25 Y 3.3634370 -0.0957796 -0.2229433 -0.1133431 3.7867252 -0.0132276 -0.2575525 -0.0234293 3.9614831 26 Y 3.3634370 0.0957796 -0.2229433 0.1133431 3.7867252 0.0132276 -0.2575525 0.0234293 3.9614831 27 Y 3.3634370 -0.0957796 -0.2229433 -0.1133431 3.7867252 -0.0132276 -0.2575525 -0.0234293 3.9614831 28 Y 3.3634370 0.0957796 -0.2229433 0.1133431 3.7867252 0.0132276 -0.2575525 0.0234293 3.9614831 29 Y 3.8309098 0.4393784 -0.0361804 0.4144010 3.6213724 0.1183544 0.1065589 0.1095371 3.8456650 30 Y 3.8309098 -0.4393784 -0.0361804 -0.4144010 3.6213724 -0.1183544 0.1065589 -0.1095371 3.8456650 31 Y 3.8309098 0.4393784 -0.0361804 0.4144010 3.6213724 0.1183544 0.1065589 0.1095371 3.8456650 32 Y 3.8309098 -0.4393784 -0.0361804 -0.4144010 3.6213724 -0.1183544 0.1065589 -0.1095371 3.8456650 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.999 Solver_block: 200 / 960 - Time: 1.543 Solver_block: 300 / 960 - Time: 2.152 Solver_block: 400 / 960 - Time: 1.704 Solver_block: 500 / 960 - Time: 1.731 Solver_block: 600 / 960 - Time: 1.575 Solver_block: 700 / 960 - Time: 1.603 Solver_block: 800 / 960 - Time: 1.612 Solver_block: 900 / 960 - Time: 1.472 Solver_block: 960 / 960 - Time: 1.571 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.642 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:36:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:36:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.206808940196801 -3.353943465000000 0.000000000000000 b 7.206808940196801 3.353943465000000 0.000000000000000 c -5.521845724569483 0.000000000000000 8.766378267967989 Atomic positions (fractional): 1 O 0.38651192771005 0.57785562751708 0.10234945104800 15.999 2 O 0.42214437248292 0.61348807228995 0.39765054895200 15.999 3 O 0.61348807228995 0.42214437248292 0.89765054895200 15.999 4 O 0.57785562751708 0.38651192771005 0.60234945104800 15.999 5 O 0.26969519723504 0.13232183771622 0.43946824688388 15.999 6 O 0.86767816228378 0.73030480276496 0.06053175311612 15.999 7 O 0.73030480276496 0.86767816228378 0.56053175311612 15.999 8 O 0.13232183771622 0.26969519723504 0.93946824688388 15.999 9 O 0.15025447120533 0.44521651289159 0.32546683995144 15.999 10 O 0.55478348710841 0.84974552879467 0.17453316004856 15.999 11 O 0.84974552879467 0.55478348710841 0.67453316004856 15.999 12 O 0.44521651289159 0.15025447120533 0.82546683995144 15.999 13 O 0.40719105095448 0.82958599427393 0.81992718448377 15.999 14 O 0.17041400572607 0.59280894904552 0.68007281551623 15.999 15 O 0.59280894904552 0.17041400572607 0.18007281551623 15.999 16 O 0.82958599427393 0.40719105095448 0.31992718448377 15.999 17 O 0.08997386533227 0.08812988658061 0.64042477372931 15.999 18 O 0.91187011341939 0.91002613466773 0.85957522627069 15.999 19 O 0.91002613466773 0.91187011341939 0.35957522627069 15.999 20 O 0.08812988658061 0.08997386533227 0.14042477372931 15.999 21 Si 0.09111548029838 0.27276554238031 0.30791479663268 28.085 22 Si 0.72723445761969 0.90888451970162 0.19208520336732 28.085 23 Si 0.90888451970162 0.72723445761969 0.69208520336732 28.085 24 Si 0.27276554238031 0.09111548029838 0.80791479663268 28.085 25 Y 0.70807827975721 0.21989896130468 0.03571640601323 88.906 26 Y 0.78010103869532 0.29192172024279 0.46428359398677 88.906 27 Y 0.29192172024279 0.78010103869532 0.96428359398677 88.906 28 Y 0.21989896130468 0.70807827975721 0.53571640601323 88.906 29 Y 0.51586125986549 0.76561313008473 0.33483831525271 88.906 30 Y 0.23438686991527 0.48413874013451 0.16516168474729 88.906 31 Y 0.48413874013451 0.23438686991527 0.66516168474729 88.906 32 Y 0.76561313008473 0.51586125986549 0.83483831525271 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.413617880393602 0.000000000000000 0.000000000000000 b 0.000000000000000 13.415773860000000 0.000000000000000 c -5.521845724569483 0.000000000000000 8.766378267967989 Atomic positions (fractional): 1 O 0.98218377761357 0.29783592495176 0.10234945104800 15.999 > 1 2 O 0.98218377761357 0.79783592495176 0.10234945104800 15.999 > 1 3 O 0.01781622238643 0.29783592495176 0.39765054895200 15.999 > 3 4 O 0.01781622238643 0.79783592495176 0.39765054895200 15.999 > 3 5 O 0.01781622238643 0.20216407504824 0.89765054895200 15.999 > 5 6 O 0.01781622238643 0.70216407504824 0.89765054895200 15.999 > 5 7 O 0.98218377761357 0.20216407504824 0.60234945104800 15.999 > 7 8 O 0.98218377761357 0.70216407504824 0.60234945104800 15.999 > 7 9 O 0.20100851747563 0.46565666012029 0.43946824688388 15.999 > 9 10 O 0.20100851747563 0.96565666012029 0.43946824688388 15.999 > 9 11 O 0.79899148252437 0.46565666012029 0.06053175311612 15.999 > 11 12 O 0.79899148252437 0.96565666012029 0.06053175311612 15.999 > 11 13 O 0.79899148252437 0.03434333987971 0.56053175311612 15.999 > 13 14 O 0.79899148252437 0.53434333987971 0.56053175311612 15.999 > 13 15 O 0.20100851747563 0.03434333987971 0.93946824688388 15.999 > 15 16 O 0.20100851747563 0.53434333987971 0.93946824688388 15.999 > 15 17 O 0.79773549204846 0.32374051042157 0.32546683995144 15.999 > 17 18 O 0.79773549204846 0.82374051042157 0.32546683995144 15.999 > 17 19 O 0.70226450795154 0.07374051042157 0.17453316004856 15.999 > 19 20 O 0.70226450795154 0.57374051042157 0.17453316004856 15.999 > 19 21 O 0.20226450795154 0.17625948957843 0.67453316004856 15.999 > 21 22 O 0.20226450795154 0.67625948957843 0.67453316004856 15.999 > 21 23 O 0.29773549204846 0.42625948957843 0.82546683995144 15.999 > 23 24 O 0.29773549204846 0.92625948957843 0.82546683995144 15.999 > 23 25 O 0.11838852261421 0.35559873582986 0.81992718448377 15.999 > 25 26 O 0.11838852261421 0.85559873582986 0.81992718448377 15.999 > 25 27 O 0.88161147738579 0.35559873582986 0.68007281551623 15.999 > 27 28 O 0.88161147738579 0.85559873582986 0.68007281551623 15.999 > 27 29 O 0.88161147738579 0.14440126417014 0.18007281551623 15.999 > 29 30 O 0.88161147738579 0.64440126417014 0.18007281551623 15.999 > 29 31 O 0.11838852261421 0.14440126417014 0.31992718448377 15.999 > 31 32 O 0.11838852261421 0.64440126417014 0.31992718448377 15.999 > 31 33 O 0.08905187595644 0.49953900531208 0.64042477372931 15.999 > 33 34 O 0.08905187595644 0.99953900531208 0.64042477372931 15.999 > 33 35 O 0.41094812404356 0.24953900531208 0.85957522627069 15.999 > 35 36 O 0.41094812404356 0.74953900531208 0.85957522627069 15.999 > 35 37 O 0.91094812404356 0.00046099468792 0.35957522627069 15.999 > 37 38 O 0.91094812404356 0.50046099468792 0.35957522627069 15.999 > 37 39 O 0.58905187595644 0.25046099468792 0.14042477372931 15.999 > 39 40 O 0.58905187595644 0.75046099468792 0.14042477372931 15.999 > 39 41 O 0.48218377761357 0.04783592495176 0.10234945104800 15.999 > 1 42 O 0.48218377761357 0.54783592495176 0.10234945104800 15.999 > 1 43 O 0.51781622238643 0.04783592495176 0.39765054895200 15.999 > 3 44 O 0.51781622238643 0.54783592495176 0.39765054895200 15.999 > 3 45 O 0.51781622238643 0.45216407504824 0.89765054895200 15.999 > 5 46 O 0.51781622238643 0.95216407504824 0.89765054895200 15.999 > 5 47 O 0.48218377761357 0.45216407504824 0.60234945104800 15.999 > 7 48 O 0.48218377761357 0.95216407504824 0.60234945104800 15.999 > 7 49 O 0.70100851747563 0.21565666012029 0.43946824688388 15.999 > 9 50 O 0.70100851747563 0.71565666012029 0.43946824688388 15.999 > 9 51 O 0.29899148252437 0.21565666012029 0.06053175311612 15.999 > 11 52 O 0.29899148252437 0.71565666012029 0.06053175311612 15.999 > 11 53 O 0.29899148252437 0.28434333987971 0.56053175311612 15.999 > 13 54 O 0.29899148252437 0.78434333987971 0.56053175311612 15.999 > 13 55 O 0.70100851747563 0.28434333987971 0.93946824688388 15.999 > 15 56 O 0.70100851747563 0.78434333987971 0.93946824688388 15.999 > 15 57 O 0.29773549204846 0.07374051042157 0.32546683995144 15.999 > 17 58 O 0.29773549204846 0.57374051042157 0.32546683995144 15.999 > 17 59 O 0.20226450795154 0.32374051042157 0.17453316004856 15.999 > 19 60 O 0.20226450795154 0.82374051042157 0.17453316004856 15.999 > 19 61 O 0.70226450795154 0.42625948957843 0.67453316004856 15.999 > 21 62 O 0.70226450795154 0.92625948957843 0.67453316004856 15.999 > 21 63 O 0.79773549204846 0.17625948957843 0.82546683995144 15.999 > 23 64 O 0.79773549204846 0.67625948957843 0.82546683995144 15.999 > 23 65 O 0.61838852261421 0.10559873582986 0.81992718448377 15.999 > 25 66 O 0.61838852261421 0.60559873582986 0.81992718448377 15.999 > 25 67 O 0.38161147738579 0.10559873582986 0.68007281551623 15.999 > 27 68 O 0.38161147738579 0.60559873582986 0.68007281551623 15.999 > 27 69 O 0.38161147738579 0.39440126417014 0.18007281551623 15.999 > 29 70 O 0.38161147738579 0.89440126417014 0.18007281551623 15.999 > 29 71 O 0.61838852261421 0.39440126417014 0.31992718448377 15.999 > 31 72 O 0.61838852261421 0.89440126417014 0.31992718448377 15.999 > 31 73 O 0.58905187595644 0.24953900531208 0.64042477372931 15.999 > 33 74 O 0.58905187595644 0.74953900531208 0.64042477372931 15.999 > 33 75 O 0.91094812404356 0.49953900531208 0.85957522627069 15.999 > 35 76 O 0.91094812404356 0.99953900531208 0.85957522627069 15.999 > 35 77 O 0.41094812404356 0.25046099468792 0.35957522627069 15.999 > 37 78 O 0.41094812404356 0.75046099468792 0.35957522627069 15.999 > 37 79 O 0.08905187595644 0.00046099468792 0.14042477372931 15.999 > 39 80 O 0.08905187595644 0.50046099468792 0.14042477372931 15.999 > 39 81 Si 0.68194051133934 0.29541251552048 0.30791479663268 28.085 > 81 82 Si 0.68194051133934 0.79541251552048 0.30791479663268 28.085 > 81 83 Si 0.81805948866066 0.04541251552048 0.19208520336732 28.085 > 83 84 Si 0.81805948866066 0.54541251552048 0.19208520336732 28.085 > 83 85 Si 0.31805948866065 0.20458748447952 0.69208520336732 28.085 > 85 86 Si 0.31805948866065 0.70458748447952 0.69208520336732 28.085 > 85 87 Si 0.18194051133934 0.45458748447952 0.80791479663268 28.085 > 87 88 Si 0.18194051133934 0.95458748447952 0.80791479663268 28.085 > 87 89 Si 0.18194051133934 0.04541251552048 0.30791479663268 28.085 > 81 90 Si 0.18194051133934 0.54541251552048 0.30791479663268 28.085 > 81 91 Si 0.31805948866065 0.29541251552048 0.19208520336732 28.085 > 83 92 Si 0.31805948866065 0.79541251552048 0.19208520336732 28.085 > 83 93 Si 0.81805948866066 0.45458748447952 0.69208520336732 28.085 > 85 94 Si 0.81805948866066 0.95458748447952 0.69208520336732 28.085 > 85 95 Si 0.68194051133934 0.20458748447952 0.80791479663268 28.085 > 87 96 Si 0.68194051133934 0.70458748447952 0.80791479663268 28.085 > 87 97 Y 0.96398862053094 0.12795517038687 0.03571640601323 88.906 > 97 98 Y 0.96398862053094 0.62795517038687 0.03571640601323 88.906 > 97 99 Y 0.03601137946906 0.12795517038687 0.46428359398677 88.906 > 99 100 Y 0.03601137946906 0.62795517038687 0.46428359398677 88.906 > 99 101 Y 0.03601137946906 0.37204482961313 0.96428359398677 88.906 > 101 102 Y 0.03601137946906 0.87204482961313 0.96428359398677 88.906 > 101 103 Y 0.96398862053094 0.37204482961313 0.53571640601323 88.906 > 103 104 Y 0.96398862053094 0.87204482961313 0.53571640601323 88.906 > 103 105 Y 0.14073719497511 0.31243796755481 0.33483831525271 88.906 > 105 106 Y 0.14073719497511 0.81243796755481 0.33483831525271 88.906 > 105 107 Y 0.85926280502489 0.31243796755481 0.16516168474729 88.906 > 107 108 Y 0.85926280502489 0.81243796755481 0.16516168474729 88.906 > 107 109 Y 0.85926280502489 0.18756203244519 0.66516168474729 88.906 > 109 110 Y 0.85926280502489 0.68756203244519 0.66516168474729 88.906 > 109 111 Y 0.14073719497511 0.18756203244519 0.83483831525271 88.906 > 111 112 Y 0.14073719497511 0.68756203244519 0.83483831525271 88.906 > 111 113 Y 0.46398862053094 0.37795517038687 0.03571640601323 88.906 > 97 114 Y 0.46398862053094 0.87795517038687 0.03571640601323 88.906 > 97 115 Y 0.53601137946906 0.37795517038687 0.46428359398677 88.906 > 99 116 Y 0.53601137946906 0.87795517038687 0.46428359398677 88.906 > 99 117 Y 0.53601137946906 0.12204482961313 0.96428359398677 88.906 > 101 118 Y 0.53601137946906 0.62204482961313 0.96428359398677 88.906 > 101 119 Y 0.46398862053094 0.12204482961313 0.53571640601323 88.906 > 103 120 Y 0.46398862053094 0.62204482961313 0.53571640601323 88.906 > 103 121 Y 0.64073719497511 0.06243796755481 0.33483831525271 88.906 > 105 122 Y 0.64073719497511 0.56243796755481 0.33483831525271 88.906 > 105 123 Y 0.35926280502489 0.06243796755481 0.16516168474729 88.906 > 107 124 Y 0.35926280502489 0.56243796755481 0.16516168474729 88.906 > 107 125 Y 0.35926280502489 0.43756203244519 0.66516168474729 88.906 > 109 126 Y 0.35926280502489 0.93756203244519 0.66516168474729 88.906 > 109 127 Y 0.64073719497511 0.43756203244519 0.83483831525271 88.906 > 111 128 Y 0.64073719497511 0.93756203244519 0.83483831525271 88.906 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5352193 0.0000000 -0.0348611 0.0000000 3.5263546 0.0000000 -0.0348607 0.0000000 3.6231432 -------------------------- Born effective charges -------------------------- 1 O -2.7482198 -0.1792720 0.4435417 -0.2586127 -2.0317649 -0.0111164 0.4348907 -0.0903619 -2.3454896 2 O -2.7482198 0.1792720 0.4435417 0.2586127 -2.0317649 0.0111164 0.4348907 0.0903619 -2.3454896 3 O -2.7482198 -0.1792720 0.4435417 -0.2586127 -2.0317649 -0.0111164 0.4348907 -0.0903619 -2.3454896 4 O -2.7482198 0.1792720 0.4435417 0.2586127 -2.0317649 0.0111164 0.4348907 0.0903619 -2.3454896 5 O -1.4921788 -0.2086777 -0.3002937 -0.1871017 -2.3246981 0.2651782 -0.2388559 0.2659309 -2.4036159 6 O -1.4921788 0.2086777 -0.3002937 0.1871017 -2.3246981 -0.2651782 -0.2388559 -0.2659309 -2.4036159 7 O -1.4921788 -0.2086777 -0.3002937 -0.1871017 -2.3246981 0.2651782 -0.2388559 0.2659309 -2.4036159 8 O -1.4921788 0.2086777 -0.3002937 0.1871017 -2.3246981 -0.2651782 -0.2388559 -0.2659309 -2.4036159 9 O -2.9462036 -0.2744064 -0.0064834 -0.3017240 -1.3522010 -0.1690886 -0.0446139 -0.1748862 -1.9195311 10 O -2.9462036 0.2744064 -0.0064834 0.3017240 -1.3522010 0.1690886 -0.0446139 0.1748862 -1.9195311 11 O -2.9462036 -0.2744064 -0.0064834 -0.3017240 -1.3522010 -0.1690886 -0.0446139 -0.1748862 -1.9195311 12 O -2.9462036 0.2744064 -0.0064834 0.3017240 -1.3522010 0.1690886 -0.0446139 0.1748862 -1.9195311 13 O -2.0132950 -0.4235213 0.1826982 -0.4217422 -2.4997418 0.1033088 0.2118392 0.1329304 -1.8217207 14 O -2.0132950 0.4235213 0.1826982 0.4217422 -2.4997418 -0.1033088 0.2118392 -0.1329304 -1.8217207 15 O -2.0132950 -0.4235213 0.1826982 -0.4217422 -2.4997418 0.1033088 0.2118392 0.1329304 -1.8217207 16 O -2.0132950 0.4235213 0.1826982 0.4217422 -2.4997418 -0.1033088 0.2118392 -0.1329304 -1.8217207 17 O -1.4289361 -0.2615791 -0.3653798 -0.2680260 -2.3223459 0.3650982 -0.3690994 0.2731216 -2.3748549 18 O -1.4289361 0.2615791 -0.3653798 0.2680260 -2.3223459 -0.3650982 -0.3690994 -0.2731216 -2.3748549 19 O -1.4289361 -0.2615791 -0.3653798 -0.2680260 -2.3223459 0.3650982 -0.3690994 0.2731216 -2.3748549 20 O -1.4289361 0.2615791 -0.3653798 0.2680260 -2.3223459 -0.3650982 -0.3690994 -0.2731216 -2.3748549 21 Si 3.4344865 -0.1147795 0.3050407 -0.0582577 3.1226542 -0.1318249 0.1568328 -0.0155158 3.0580643 22 Si 3.4344865 0.1147795 0.3050407 0.0582577 3.1226542 0.1318249 0.1568328 0.0155158 3.0580643 23 Si 3.4344865 -0.1147795 0.3050407 -0.0582577 3.1226542 -0.1318249 0.1568328 -0.0155158 3.0580643 24 Si 3.4344865 0.1147795 0.3050407 0.0582577 3.1226542 0.1318249 0.1568328 0.0155158 3.0580643 25 Y 3.3634370 -0.0957796 -0.2229433 -0.1133431 3.7867252 -0.0132276 -0.2575525 -0.0234293 3.9614831 26 Y 3.3634370 0.0957796 -0.2229433 0.1133431 3.7867252 0.0132276 -0.2575525 0.0234293 3.9614831 27 Y 3.3634370 -0.0957796 -0.2229433 -0.1133431 3.7867252 -0.0132276 -0.2575525 -0.0234293 3.9614831 28 Y 3.3634370 0.0957796 -0.2229433 0.1133431 3.7867252 0.0132276 -0.2575525 0.0234293 3.9614831 29 Y 3.8309098 0.4393784 -0.0361804 0.4144010 3.6213724 0.1183544 0.1065589 0.1095371 3.8456650 30 Y 3.8309098 -0.4393784 -0.0361804 -0.4144010 3.6213724 -0.1183544 0.1065589 -0.1095371 3.8456650 31 Y 3.8309098 0.4393784 -0.0361804 0.4144010 3.6213724 0.1183544 0.1065589 0.1095371 3.8456650 32 Y 3.8309098 -0.4393784 -0.0361804 -0.4144010 3.6213724 -0.1183544 0.1065589 -0.1095371 3.8456650 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 9, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 105, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 2026-01-07 19:36:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:36:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.206808940196801 -3.353943465000000 0.000000000000000 b 7.206808940196801 3.353943465000000 0.000000000000000 c -5.521845724569483 0.000000000000000 8.766378267967989 Atomic positions (fractional): 1 O 0.38651192771005 0.57785562751708 0.10234945104800 15.999 2 O 0.42214437248292 0.61348807228995 0.39765054895200 15.999 3 O 0.61348807228995 0.42214437248292 0.89765054895200 15.999 4 O 0.57785562751708 0.38651192771005 0.60234945104800 15.999 5 O 0.26969519723504 0.13232183771622 0.43946824688388 15.999 6 O 0.86767816228378 0.73030480276496 0.06053175311612 15.999 7 O 0.73030480276496 0.86767816228378 0.56053175311612 15.999 8 O 0.13232183771622 0.26969519723504 0.93946824688388 15.999 9 O 0.15025447120533 0.44521651289159 0.32546683995144 15.999 10 O 0.55478348710841 0.84974552879467 0.17453316004856 15.999 11 O 0.84974552879467 0.55478348710841 0.67453316004856 15.999 12 O 0.44521651289159 0.15025447120533 0.82546683995144 15.999 13 O 0.40719105095448 0.82958599427393 0.81992718448377 15.999 14 O 0.17041400572607 0.59280894904552 0.68007281551623 15.999 15 O 0.59280894904552 0.17041400572607 0.18007281551623 15.999 16 O 0.82958599427393 0.40719105095448 0.31992718448377 15.999 17 O 0.08997386533227 0.08812988658061 0.64042477372931 15.999 18 O 0.91187011341939 0.91002613466773 0.85957522627069 15.999 19 O 0.91002613466773 0.91187011341939 0.35957522627069 15.999 20 O 0.08812988658061 0.08997386533227 0.14042477372931 15.999 21 Si 0.09111548029838 0.27276554238031 0.30791479663268 28.085 22 Si 0.72723445761969 0.90888451970162 0.19208520336732 28.085 23 Si 0.90888451970162 0.72723445761969 0.69208520336732 28.085 24 Si 0.27276554238031 0.09111548029838 0.80791479663268 28.085 25 Y 0.70807827975721 0.21989896130468 0.03571640601323 88.906 26 Y 0.78010103869532 0.29192172024279 0.46428359398677 88.906 27 Y 0.29192172024279 0.78010103869532 0.96428359398677 88.906 28 Y 0.21989896130468 0.70807827975721 0.53571640601323 88.906 29 Y 0.51586125986549 0.76561313008473 0.33483831525271 88.906 30 Y 0.23438686991527 0.48413874013451 0.16516168474729 88.906 31 Y 0.48413874013451 0.23438686991527 0.66516168474729 88.906 32 Y 0.76561313008473 0.51586125986549 0.83483831525271 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.413617880393602 0.000000000000000 0.000000000000000 b 0.000000000000000 13.415773860000000 0.000000000000000 c -5.521845724569483 0.000000000000000 8.766378267967989 Atomic positions (fractional): 1 O 0.98218377761357 0.29783592495176 0.10234945104800 15.999 > 1 2 O 0.98218377761357 0.79783592495176 0.10234945104800 15.999 > 1 3 O 0.01781622238643 0.29783592495176 0.39765054895200 15.999 > 3 4 O 0.01781622238643 0.79783592495176 0.39765054895200 15.999 > 3 5 O 0.01781622238643 0.20216407504824 0.89765054895200 15.999 > 5 6 O 0.01781622238643 0.70216407504824 0.89765054895200 15.999 > 5 7 O 0.98218377761357 0.20216407504824 0.60234945104800 15.999 > 7 8 O 0.98218377761357 0.70216407504824 0.60234945104800 15.999 > 7 9 O 0.20100851747563 0.46565666012029 0.43946824688388 15.999 > 9 10 O 0.20100851747563 0.96565666012029 0.43946824688388 15.999 > 9 11 O 0.79899148252437 0.46565666012029 0.06053175311612 15.999 > 11 12 O 0.79899148252437 0.96565666012029 0.06053175311612 15.999 > 11 13 O 0.79899148252437 0.03434333987971 0.56053175311612 15.999 > 13 14 O 0.79899148252437 0.53434333987971 0.56053175311612 15.999 > 13 15 O 0.20100851747563 0.03434333987971 0.93946824688388 15.999 > 15 16 O 0.20100851747563 0.53434333987971 0.93946824688388 15.999 > 15 17 O 0.79773549204846 0.32374051042157 0.32546683995144 15.999 > 17 18 O 0.79773549204846 0.82374051042157 0.32546683995144 15.999 > 17 19 O 0.70226450795154 0.07374051042157 0.17453316004856 15.999 > 19 20 O 0.70226450795154 0.57374051042157 0.17453316004856 15.999 > 19 21 O 0.20226450795154 0.17625948957843 0.67453316004856 15.999 > 21 22 O 0.20226450795154 0.67625948957843 0.67453316004856 15.999 > 21 23 O 0.29773549204846 0.42625948957843 0.82546683995144 15.999 > 23 24 O 0.29773549204846 0.92625948957843 0.82546683995144 15.999 > 23 25 O 0.11838852261421 0.35559873582986 0.81992718448377 15.999 > 25 26 O 0.11838852261421 0.85559873582986 0.81992718448377 15.999 > 25 27 O 0.88161147738579 0.35559873582986 0.68007281551623 15.999 > 27 28 O 0.88161147738579 0.85559873582986 0.68007281551623 15.999 > 27 29 O 0.88161147738579 0.14440126417014 0.18007281551623 15.999 > 29 30 O 0.88161147738579 0.64440126417014 0.18007281551623 15.999 > 29 31 O 0.11838852261421 0.14440126417014 0.31992718448377 15.999 > 31 32 O 0.11838852261421 0.64440126417014 0.31992718448377 15.999 > 31 33 O 0.08905187595644 0.49953900531208 0.64042477372931 15.999 > 33 34 O 0.08905187595644 0.99953900531208 0.64042477372931 15.999 > 33 35 O 0.41094812404356 0.24953900531208 0.85957522627069 15.999 > 35 36 O 0.41094812404356 0.74953900531208 0.85957522627069 15.999 > 35 37 O 0.91094812404356 0.00046099468792 0.35957522627069 15.999 > 37 38 O 0.91094812404356 0.50046099468792 0.35957522627069 15.999 > 37 39 O 0.58905187595644 0.25046099468792 0.14042477372931 15.999 > 39 40 O 0.58905187595644 0.75046099468792 0.14042477372931 15.999 > 39 41 O 0.48218377761357 0.04783592495176 0.10234945104800 15.999 > 1 42 O 0.48218377761357 0.54783592495176 0.10234945104800 15.999 > 1 43 O 0.51781622238643 0.04783592495176 0.39765054895200 15.999 > 3 44 O 0.51781622238643 0.54783592495176 0.39765054895200 15.999 > 3 45 O 0.51781622238643 0.45216407504824 0.89765054895200 15.999 > 5 46 O 0.51781622238643 0.95216407504824 0.89765054895200 15.999 > 5 47 O 0.48218377761357 0.45216407504824 0.60234945104800 15.999 > 7 48 O 0.48218377761357 0.95216407504824 0.60234945104800 15.999 > 7 49 O 0.70100851747563 0.21565666012029 0.43946824688388 15.999 > 9 50 O 0.70100851747563 0.71565666012029 0.43946824688388 15.999 > 9 51 O 0.29899148252437 0.21565666012029 0.06053175311612 15.999 > 11 52 O 0.29899148252437 0.71565666012029 0.06053175311612 15.999 > 11 53 O 0.29899148252437 0.28434333987971 0.56053175311612 15.999 > 13 54 O 0.29899148252437 0.78434333987971 0.56053175311612 15.999 > 13 55 O 0.70100851747563 0.28434333987971 0.93946824688388 15.999 > 15 56 O 0.70100851747563 0.78434333987971 0.93946824688388 15.999 > 15 57 O 0.29773549204846 0.07374051042157 0.32546683995144 15.999 > 17 58 O 0.29773549204846 0.57374051042157 0.32546683995144 15.999 > 17 59 O 0.20226450795154 0.32374051042157 0.17453316004856 15.999 > 19 60 O 0.20226450795154 0.82374051042157 0.17453316004856 15.999 > 19 61 O 0.70226450795154 0.42625948957843 0.67453316004856 15.999 > 21 62 O 0.70226450795154 0.92625948957843 0.67453316004856 15.999 > 21 63 O 0.79773549204846 0.17625948957843 0.82546683995144 15.999 > 23 64 O 0.79773549204846 0.67625948957843 0.82546683995144 15.999 > 23 65 O 0.61838852261421 0.10559873582986 0.81992718448377 15.999 > 25 66 O 0.61838852261421 0.60559873582986 0.81992718448377 15.999 > 25 67 O 0.38161147738579 0.10559873582986 0.68007281551623 15.999 > 27 68 O 0.38161147738579 0.60559873582986 0.68007281551623 15.999 > 27 69 O 0.38161147738579 0.39440126417014 0.18007281551623 15.999 > 29 70 O 0.38161147738579 0.89440126417014 0.18007281551623 15.999 > 29 71 O 0.61838852261421 0.39440126417014 0.31992718448377 15.999 > 31 72 O 0.61838852261421 0.89440126417014 0.31992718448377 15.999 > 31 73 O 0.58905187595644 0.24953900531208 0.64042477372931 15.999 > 33 74 O 0.58905187595644 0.74953900531208 0.64042477372931 15.999 > 33 75 O 0.91094812404356 0.49953900531208 0.85957522627069 15.999 > 35 76 O 0.91094812404356 0.99953900531208 0.85957522627069 15.999 > 35 77 O 0.41094812404356 0.25046099468792 0.35957522627069 15.999 > 37 78 O 0.41094812404356 0.75046099468792 0.35957522627069 15.999 > 37 79 O 0.08905187595644 0.00046099468792 0.14042477372931 15.999 > 39 80 O 0.08905187595644 0.50046099468792 0.14042477372931 15.999 > 39 81 Si 0.68194051133934 0.29541251552048 0.30791479663268 28.085 > 81 82 Si 0.68194051133934 0.79541251552048 0.30791479663268 28.085 > 81 83 Si 0.81805948866066 0.04541251552048 0.19208520336732 28.085 > 83 84 Si 0.81805948866066 0.54541251552048 0.19208520336732 28.085 > 83 85 Si 0.31805948866065 0.20458748447952 0.69208520336732 28.085 > 85 86 Si 0.31805948866065 0.70458748447952 0.69208520336732 28.085 > 85 87 Si 0.18194051133934 0.45458748447952 0.80791479663268 28.085 > 87 88 Si 0.18194051133934 0.95458748447952 0.80791479663268 28.085 > 87 89 Si 0.18194051133934 0.04541251552048 0.30791479663268 28.085 > 81 90 Si 0.18194051133934 0.54541251552048 0.30791479663268 28.085 > 81 91 Si 0.31805948866065 0.29541251552048 0.19208520336732 28.085 > 83 92 Si 0.31805948866065 0.79541251552048 0.19208520336732 28.085 > 83 93 Si 0.81805948866066 0.45458748447952 0.69208520336732 28.085 > 85 94 Si 0.81805948866066 0.95458748447952 0.69208520336732 28.085 > 85 95 Si 0.68194051133934 0.20458748447952 0.80791479663268 28.085 > 87 96 Si 0.68194051133934 0.70458748447952 0.80791479663268 28.085 > 87 97 Y 0.96398862053094 0.12795517038687 0.03571640601323 88.906 > 97 98 Y 0.96398862053094 0.62795517038687 0.03571640601323 88.906 > 97 99 Y 0.03601137946906 0.12795517038687 0.46428359398677 88.906 > 99 100 Y 0.03601137946906 0.62795517038687 0.46428359398677 88.906 > 99 101 Y 0.03601137946906 0.37204482961313 0.96428359398677 88.906 > 101 102 Y 0.03601137946906 0.87204482961313 0.96428359398677 88.906 > 101 103 Y 0.96398862053094 0.37204482961313 0.53571640601323 88.906 > 103 104 Y 0.96398862053094 0.87204482961313 0.53571640601323 88.906 > 103 105 Y 0.14073719497511 0.31243796755481 0.33483831525271 88.906 > 105 106 Y 0.14073719497511 0.81243796755481 0.33483831525271 88.906 > 105 107 Y 0.85926280502489 0.31243796755481 0.16516168474729 88.906 > 107 108 Y 0.85926280502489 0.81243796755481 0.16516168474729 88.906 > 107 109 Y 0.85926280502489 0.18756203244519 0.66516168474729 88.906 > 109 110 Y 0.85926280502489 0.68756203244519 0.66516168474729 88.906 > 109 111 Y 0.14073719497511 0.18756203244519 0.83483831525271 88.906 > 111 112 Y 0.14073719497511 0.68756203244519 0.83483831525271 88.906 > 111 113 Y 0.46398862053094 0.37795517038687 0.03571640601323 88.906 > 97 114 Y 0.46398862053094 0.87795517038687 0.03571640601323 88.906 > 97 115 Y 0.53601137946906 0.37795517038687 0.46428359398677 88.906 > 99 116 Y 0.53601137946906 0.87795517038687 0.46428359398677 88.906 > 99 117 Y 0.53601137946906 0.12204482961313 0.96428359398677 88.906 > 101 118 Y 0.53601137946906 0.62204482961313 0.96428359398677 88.906 > 101 119 Y 0.46398862053094 0.12204482961313 0.53571640601323 88.906 > 103 120 Y 0.46398862053094 0.62204482961313 0.53571640601323 88.906 > 103 121 Y 0.64073719497511 0.06243796755481 0.33483831525271 88.906 > 105 122 Y 0.64073719497511 0.56243796755481 0.33483831525271 88.906 > 105 123 Y 0.35926280502489 0.06243796755481 0.16516168474729 88.906 > 107 124 Y 0.35926280502489 0.56243796755481 0.16516168474729 88.906 > 107 125 Y 0.35926280502489 0.43756203244519 0.66516168474729 88.906 > 109 126 Y 0.35926280502489 0.93756203244519 0.66516168474729 88.906 > 109 127 Y 0.64073719497511 0.43756203244519 0.83483831525271 88.906 > 111 128 Y 0.64073719497511 0.93756203244519 0.83483831525271 88.906 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5352193 0.0000000 -0.0348611 0.0000000 3.5263546 0.0000000 -0.0348607 0.0000000 3.6231432 -------------------------- Born effective charges -------------------------- 1 O -2.7482198 -0.1792720 0.4435417 -0.2586127 -2.0317649 -0.0111164 0.4348907 -0.0903619 -2.3454896 2 O -2.7482198 0.1792720 0.4435417 0.2586127 -2.0317649 0.0111164 0.4348907 0.0903619 -2.3454896 3 O -2.7482198 -0.1792720 0.4435417 -0.2586127 -2.0317649 -0.0111164 0.4348907 -0.0903619 -2.3454896 4 O -2.7482198 0.1792720 0.4435417 0.2586127 -2.0317649 0.0111164 0.4348907 0.0903619 -2.3454896 5 O -1.4921788 -0.2086777 -0.3002937 -0.1871017 -2.3246981 0.2651782 -0.2388559 0.2659309 -2.4036159 6 O -1.4921788 0.2086777 -0.3002937 0.1871017 -2.3246981 -0.2651782 -0.2388559 -0.2659309 -2.4036159 7 O -1.4921788 -0.2086777 -0.3002937 -0.1871017 -2.3246981 0.2651782 -0.2388559 0.2659309 -2.4036159 8 O -1.4921788 0.2086777 -0.3002937 0.1871017 -2.3246981 -0.2651782 -0.2388559 -0.2659309 -2.4036159 9 O -2.9462036 -0.2744064 -0.0064834 -0.3017240 -1.3522010 -0.1690886 -0.0446139 -0.1748862 -1.9195311 10 O -2.9462036 0.2744064 -0.0064834 0.3017240 -1.3522010 0.1690886 -0.0446139 0.1748862 -1.9195311 11 O -2.9462036 -0.2744064 -0.0064834 -0.3017240 -1.3522010 -0.1690886 -0.0446139 -0.1748862 -1.9195311 12 O -2.9462036 0.2744064 -0.0064834 0.3017240 -1.3522010 0.1690886 -0.0446139 0.1748862 -1.9195311 13 O -2.0132950 -0.4235213 0.1826982 -0.4217422 -2.4997418 0.1033088 0.2118392 0.1329304 -1.8217207 14 O -2.0132950 0.4235213 0.1826982 0.4217422 -2.4997418 -0.1033088 0.2118392 -0.1329304 -1.8217207 15 O -2.0132950 -0.4235213 0.1826982 -0.4217422 -2.4997418 0.1033088 0.2118392 0.1329304 -1.8217207 16 O -2.0132950 0.4235213 0.1826982 0.4217422 -2.4997418 -0.1033088 0.2118392 -0.1329304 -1.8217207 17 O -1.4289361 -0.2615791 -0.3653798 -0.2680260 -2.3223459 0.3650982 -0.3690994 0.2731216 -2.3748549 18 O -1.4289361 0.2615791 -0.3653798 0.2680260 -2.3223459 -0.3650982 -0.3690994 -0.2731216 -2.3748549 19 O -1.4289361 -0.2615791 -0.3653798 -0.2680260 -2.3223459 0.3650982 -0.3690994 0.2731216 -2.3748549 20 O -1.4289361 0.2615791 -0.3653798 0.2680260 -2.3223459 -0.3650982 -0.3690994 -0.2731216 -2.3748549 21 Si 3.4344865 -0.1147795 0.3050407 -0.0582577 3.1226542 -0.1318249 0.1568328 -0.0155158 3.0580643 22 Si 3.4344865 0.1147795 0.3050407 0.0582577 3.1226542 0.1318249 0.1568328 0.0155158 3.0580643 23 Si 3.4344865 -0.1147795 0.3050407 -0.0582577 3.1226542 -0.1318249 0.1568328 -0.0155158 3.0580643 24 Si 3.4344865 0.1147795 0.3050407 0.0582577 3.1226542 0.1318249 0.1568328 0.0155158 3.0580643 25 Y 3.3634370 -0.0957796 -0.2229433 -0.1133431 3.7867252 -0.0132276 -0.2575525 -0.0234293 3.9614831 26 Y 3.3634370 0.0957796 -0.2229433 0.1133431 3.7867252 0.0132276 -0.2575525 0.0234293 3.9614831 27 Y 3.3634370 -0.0957796 -0.2229433 -0.1133431 3.7867252 -0.0132276 -0.2575525 -0.0234293 3.9614831 28 Y 3.3634370 0.0957796 -0.2229433 0.1133431 3.7867252 0.0132276 -0.2575525 0.0234293 3.9614831 29 Y 3.8309098 0.4393784 -0.0361804 0.4144010 3.6213724 0.1183544 0.1065589 0.1095371 3.8456650 30 Y 3.8309098 -0.4393784 -0.0361804 -0.4144010 3.6213724 -0.1183544 0.1065589 -0.1095371 3.8456650 31 Y 3.8309098 0.4393784 -0.0361804 0.4144010 3.6213724 0.1183544 0.1065589 0.1095371 3.8456650 32 Y 3.8309098 -0.4393784 -0.0361804 -0.4144010 3.6213724 -0.1183544 0.1065589 -0.1095371 3.8456650 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.624 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.064 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.669 ( 0.000 0.000 0.000) 0.000 10.880 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 11.097 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 12.247 ( 0.000 0.000 0.000) 0.000 12.248 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.626 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 14.661 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 14.842 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 15.071 ( 0.000 0.000 0.000) 0.000 15.307 ( 0.000 0.000 0.000) 0.000 15.570 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 0.000) 0.000 15.766 ( 0.000 0.000 0.000) 0.000 16.045 ( 0.000 0.000 0.000) 0.000 16.249 ( 0.000 0.000 0.000) 0.000 16.259 ( 0.000 0.000 0.000) 0.000 16.460 ( 0.000 0.000 0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 17.377 ( 0.000 0.000 0.000) 0.000 17.456 ( 0.000 0.000 0.000) 0.000 25.430 ( 0.000 0.000 0.000) 0.000 25.503 ( 0.000 0.000 0.000) 0.000 25.570 ( 0.000 0.000 0.000) 0.000 25.710 ( 0.000 0.000 0.000) 0.000 25.781 ( 0.000 0.000 0.000) 0.000 26.029 ( 0.000 0.000 0.000) 0.000 26.386 ( 0.000 0.000 0.000) 0.000 26.436 ( 0.000 0.000 0.000) 0.000 26.635 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 27.729 ( 0.000 0.000 0.000) 0.000 28.172 ( 0.000 0.000 0.000) 0.000 28.230 ( 0.000 0.000 0.000) 0.000 28.451 ( 0.000 0.000 0.000) 0.000 28.515 ( 0.000 0.000 0.000) 0.000 29.231 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 27.407 -22.406 -1.801) 35.445 0.769 ( 14.357 -32.676 21.053) 41.437 1.125 ( 25.301 -45.113 20.130) 55.503 1.901 ( 0.473 -20.315 3.686) 20.652 2.746 ( -4.347 -17.772 -1.928) 18.398 2.784 ( -5.424 -16.192 -1.156) 17.115 3.149 ( 1.348 -0.815 -1.550) 2.210 3.262 ( -10.126 -6.552 -3.206) 12.479 3.381 ( -3.061 -7.845 4.885) 9.735 3.471 ( 9.960 -8.473 -5.639) 14.240 3.735 ( 2.421 -5.318 2.347) 6.297 3.993 ( 1.503 0.679 3.566) 3.929 4.096 ( 3.045 12.672 -0.270) 13.036 4.363 ( -3.004 1.507 -3.092) 4.567 4.454 ( 1.737 -1.949 -7.289) 7.742 4.722 ( -2.993 2.762 4.222) 5.866 4.761 ( -2.711 -0.222 -3.190) 4.192 5.056 ( -2.782 -12.807 -1.233) 13.164 5.287 ( -3.483 5.475 -3.698) 7.469 5.415 ( -3.804 8.626 1.798) 9.597 5.490 ( 3.994 7.781 4.260) 9.729 5.588 ( -4.244 -1.138 -6.281) 7.665 5.755 ( -4.093 4.168 -1.438) 6.016 5.865 ( -2.922 0.131 4.048) 4.994 6.014 ( -4.344 -2.113 -0.422) 4.849 6.120 ( -1.697 3.110 3.441) 4.938 6.211 ( 11.034 1.611 -2.104) 11.347 6.433 ( 2.958 3.439 7.342) 8.631 6.506 ( -3.951 -4.256 0.241) 5.812 6.562 ( 0.231 -0.088 -0.253) 0.354 6.709 ( 1.820 -0.973 -2.937) 3.590 6.811 ( -3.969 -1.701 12.594) 13.314 6.970 ( 19.620 -0.931 0.310) 19.644 7.239 ( -3.711 3.746 -1.769) 5.562 7.420 ( -1.049 5.905 -2.281) 6.417 7.735 ( 3.777 6.086 -8.513) 11.125 7.761 ( -9.503 -3.326 1.065) 10.125 7.981 ( -9.633 -2.534 -6.374) 11.826 8.059 ( -0.872 -1.639 -1.947) 2.691 8.392 ( -3.759 -0.507 -6.370) 7.413 8.670 ( 0.626 -3.705 0.884) 3.860 9.038 ( 0.560 -2.332 4.021) 4.682 9.099 ( -2.761 -2.652 -1.076) 3.977 9.129 ( -4.732 -4.502 -5.948) 8.834 9.376 ( -1.451 -3.134 1.553) 3.787 9.417 ( 4.970 8.270 15.260) 18.055 9.499 ( 9.726 0.624 -0.012) 9.746 9.823 ( -3.305 4.868 0.186) 5.887 10.045 ( -2.661 -3.327 0.994) 4.375 10.302 ( 3.349 -1.603 0.892) 3.819 10.692 ( -0.220 -2.801 -0.750) 2.908 10.823 ( 1.139 0.167 -7.279) 7.369 11.074 ( -2.548 -15.659 -13.569) 20.876 11.133 ( 1.808 -3.621 0.804) 4.126 11.469 ( -0.497 2.989 1.137) 3.236 11.618 ( -1.121 -0.736 -0.737) 1.530 11.705 ( -6.144 0.583 6.941) 9.289 11.823 ( -9.203 -0.604 17.264) 19.574 11.958 ( 12.292 10.595 6.837) 17.609 12.192 ( -5.431 1.495 0.125) 5.634 12.277 ( -3.392 -2.454 -5.150) 6.637 12.625 ( 2.178 1.448 7.878) 8.300 13.276 ( -7.691 -1.546 -25.761) 26.929 13.338 ( -55.234 -12.736 33.214) 65.698 14.601 ( -1.428 4.501 0.471) 4.745 14.824 ( 0.894 2.063 -0.276) 2.265 14.892 ( 8.841 5.598 -1.373) 10.554 15.014 ( 2.462 -1.336 -1.642) 3.247 15.242 ( 1.756 5.207 0.431) 5.512 15.300 ( 17.906 5.482 -0.619) 18.737 15.559 ( 0.837 8.172 4.092) 9.178 15.637 ( 1.974 -2.901 -1.517) 3.823 15.801 ( 1.413 -2.397 -2.341) 3.636 16.036 ( -8.157 0.990 6.998) 10.794 16.183 ( -4.040 2.268 3.505) 5.810 16.447 ( 2.758 -7.494 -6.916) 10.564 16.633 ( 14.376 12.088 -0.754) 18.798 16.814 ( 22.539 3.142 -4.992) 23.298 17.474 ( 1.469 -1.298 -0.081) 1.962 18.079 ( 5.835 1.829 -21.467) 22.321 25.449 ( 0.745 -1.689 0.434) 1.896 25.507 ( 0.504 -0.396 0.309) 0.712 25.584 ( -0.888 -1.032 2.383) 2.744 25.714 ( -0.381 -0.405 0.441) 0.709 25.797 ( -0.106 -1.582 0.270) 1.608 26.305 ( -2.854 -1.927 -13.430) 13.864 26.436 ( -1.981 -1.670 -1.725) 3.113 26.450 ( -3.079 -2.269 8.577) 9.391 26.686 ( -0.838 -1.153 4.708) 4.919 27.473 ( -37.958 -5.709 -9.602) 39.568 27.869 ( -15.344 -11.301 0.811) 19.074 28.265 ( -11.190 -14.589 -0.355) 18.390 28.302 ( -1.939 -7.643 -1.234) 7.981 28.460 ( -0.372 -0.630 1.871) 2.009 29.182 ( -0.110 4.330 -4.338) 6.130 29.666 ( 79.295 45.213 15.799) 92.636 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 25.113 -20.123 0.396) 32.183 1.490 ( 12.677 -29.676 17.589) 36.752 1.984 ( 12.164 -28.249 15.033) 34.234 2.340 ( -1.710 -26.239 4.829) 26.734 2.856 ( -6.553 -11.938 -3.512) 14.064 3.086 ( -3.110 -13.858 -5.844) 15.358 3.228 ( -1.099 -8.192 1.170) 8.348 3.401 ( -1.023 -15.740 0.811) 15.794 3.591 ( -4.009 -18.616 5.301) 19.767 3.714 ( 8.769 -10.011 -5.392) 14.359 3.849 ( -0.967 -2.774 1.615) 3.352 3.938 ( 7.583 1.109 3.686) 8.504 4.055 ( 4.104 -0.015 4.303) 5.946 4.220 ( -4.892 4.533 -11.377) 13.188 4.464 ( -1.094 -0.354 -3.528) 3.711 4.650 ( -4.720 4.529 6.009) 8.882 4.749 ( -4.099 -2.939 -6.798) 8.464 5.056 ( -8.179 7.405 -5.483) 12.320 5.143 ( -5.787 -0.184 -7.958) 9.842 5.230 ( 1.721 11.762 1.782) 12.020 5.501 ( 3.441 1.944 3.463) 5.255 5.595 ( 4.815 -2.539 4.413) 7.007 5.620 ( -5.936 5.571 1.295) 8.244 5.864 ( -4.501 -0.053 6.741) 8.106 6.021 ( -3.266 2.613 8.752) 9.700 6.090 ( 4.598 0.080 -0.666) 4.647 6.247 ( 8.883 1.841 -1.521) 9.198 6.376 ( -5.948 5.576 1.837) 8.357 6.493 ( -3.934 -3.508 -0.853) 5.339 6.671 ( 2.845 -3.577 3.105) 5.525 6.720 ( 1.927 -1.735 -2.011) 3.282 6.901 ( 2.028 -6.691 -2.457) 7.411 7.104 ( -5.424 5.079 -3.320) 8.138 7.129 ( 13.215 -1.510 -0.953) 13.335 7.282 ( -1.095 7.268 -1.133) 7.436 7.612 ( 0.036 5.221 -8.607) 10.067 7.731 ( -1.723 2.029 -2.727) 3.811 7.932 ( -6.557 -1.491 0.261) 6.729 8.049 ( -4.857 -2.060 -2.262) 5.740 8.334 ( -5.430 -0.403 -6.862) 8.759 8.737 ( -0.925 -3.037 -0.295) 3.188 9.066 ( -2.960 0.453 2.734) 4.055 9.133 ( -3.775 -5.085 -3.493) 7.233 9.142 ( 2.480 -1.661 -3.398) 4.523 9.335 ( -1.190 6.902 5.208) 8.728 9.442 ( -2.385 -5.227 2.516) 6.272 9.643 ( 7.383 -6.288 4.874) 10.853 9.701 ( -1.651 7.056 1.048) 7.322 10.100 ( -2.614 -4.623 1.191) 5.443 10.386 ( 4.898 -3.850 1.399) 6.385 10.728 ( -0.849 -1.616 -0.604) 1.923 10.836 ( 6.436 -1.148 -3.139) 7.252 11.204 ( 1.268 -6.913 -4.816) 8.520 11.247 ( 1.799 -4.825 1.047) 5.254 11.436 ( 2.823 1.095 0.084) 3.029 11.625 ( -1.746 -1.592 0.172) 2.369 11.693 ( -4.291 -0.294 6.500) 7.794 11.798 ( -0.050 6.736 2.449) 7.168 11.914 ( 9.150 5.925 2.761) 11.245 12.142 ( -4.885 -0.566 1.273) 5.080 12.240 ( -3.636 -0.471 -7.841) 8.656 12.662 ( 1.190 1.652 11.074) 11.260 13.047 ( -8.625 10.073 -11.029) 17.248 13.256 ( -24.527 0.774 19.017) 31.045 14.553 ( -1.145 -0.285 -0.260) 1.208 14.735 ( 5.839 7.659 -0.347) 9.637 14.884 ( 2.107 -0.876 -2.298) 3.238 15.091 ( -1.377 -4.262 -5.612) 7.180 15.187 ( -2.286 -0.784 2.362) 3.379 15.345 ( 5.344 0.437 2.444) 5.893 15.428 ( 0.929 9.053 -0.155) 9.102 15.683 ( -0.747 -1.458 0.710) 1.785 15.816 ( 5.668 1.051 -6.951) 9.030 15.950 ( -9.846 4.340 9.848) 14.587 16.158 ( 3.533 4.198 0.350) 5.498 16.511 ( -4.288 -1.967 -1.150) 4.856 16.585 ( 10.584 0.941 -5.271) 11.862 16.921 ( 11.137 -1.668 -1.215) 11.326 17.510 ( 1.680 -1.375 -0.106) 2.174 17.958 ( 1.035 6.380 -9.883) 11.809 25.488 ( 1.109 -1.592 0.048) 1.941 25.539 ( 1.146 -2.358 1.449) 2.995 25.611 ( -0.281 -1.615 1.107) 1.978 25.721 ( -0.739 -0.588 1.000) 1.375 25.820 ( -0.397 -0.955 0.166) 1.047 26.268 ( 0.289 -0.835 -6.686) 6.744 26.433 ( -2.314 -1.211 -2.464) 3.591 26.492 ( -2.678 0.820 13.048) 13.345 26.724 ( -0.507 -3.878 -6.357) 7.463 27.260 ( -15.502 2.255 -2.706) 15.897 27.897 ( -3.527 -1.566 0.330) 3.873 28.394 ( -4.115 -9.217 3.057) 10.546 28.453 ( -1.266 -3.291 1.137) 3.705 28.524 ( -4.761 -13.806 0.516) 14.613 29.062 ( 0.931 6.482 -6.747) 9.402 29.574 ( 35.039 25.440 5.965) 43.709 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 19.684 -14.524 1.742) 24.524 2.069 ( 5.141 -22.150 7.148) 23.836 2.400 ( 1.441 -12.855 14.495) 19.428 2.701 ( -3.845 -18.307 -2.665) 18.895 3.105 ( 6.458 -12.443 0.836) 14.044 3.139 ( -3.221 -5.866 -3.638) 7.617 3.369 ( -5.177 -7.109 4.187) 9.740 3.640 ( 1.320 -10.549 -3.081) 11.069 3.694 ( 1.759 6.592 2.401) 7.233 3.829 ( 3.201 3.543 0.422) 4.794 3.936 ( -2.923 -14.342 3.270) 14.998 3.982 ( -5.168 -3.803 -3.065) 7.111 4.189 ( 4.942 -0.707 -3.120) 5.887 4.277 ( 2.801 -8.442 -0.477) 8.908 4.406 ( -5.352 0.945 -3.585) 6.511 4.569 ( 3.164 -1.205 6.513) 7.341 4.715 ( -4.777 -0.789 -0.572) 4.875 4.954 ( 1.298 -2.629 -5.419) 6.161 5.035 ( -4.126 3.109 -5.473) 7.526 5.110 ( 2.160 4.336 0.391) 4.860 5.405 ( -1.183 7.916 -1.655) 8.173 5.542 ( -4.723 0.990 4.823) 6.822 5.704 ( 2.541 -0.730 3.300) 4.229 5.861 ( -6.219 -0.718 3.921) 7.387 5.998 ( 2.282 3.231 6.593) 7.689 6.102 ( -2.298 0.313 -3.477) 4.180 6.287 ( 6.945 0.810 0.420) 7.005 6.315 ( 1.526 -2.196 4.057) 4.859 6.515 ( -4.796 -1.854 0.497) 5.166 6.655 ( 2.471 4.248 0.592) 4.950 6.808 ( -3.123 -4.889 -3.436) 6.742 6.976 ( -1.555 3.214 -4.079) 5.421 7.028 ( -2.695 -7.052 -3.232) 8.213 7.121 ( 7.242 3.087 -4.808) 9.224 7.293 ( 8.337 -0.593 3.690) 9.137 7.499 ( -2.089 2.375 -5.663) 6.486 7.646 ( -0.365 4.168 -4.369) 6.049 7.899 ( -5.932 -0.171 -2.782) 6.555 8.049 ( -4.584 -1.627 2.906) 5.666 8.257 ( -4.673 1.037 -4.683) 6.696 8.713 ( -3.735 3.348 -0.996) 5.114 9.057 ( -1.029 -1.872 -1.205) 2.453 9.150 ( -3.981 -2.744 -4.472) 6.586 9.192 ( 1.672 -2.868 0.483) 3.355 9.256 ( 0.447 4.606 4.890) 6.732 9.489 ( -0.735 3.116 3.951) 5.085 9.621 ( 0.935 -0.235 -0.831) 1.272 9.834 ( 4.814 -7.865 3.986) 10.046 10.144 ( -2.116 -1.493 0.902) 2.742 10.506 ( 4.336 -5.068 1.486) 6.833 10.728 ( -0.935 0.019 -0.578) 1.100 10.907 ( 5.787 -2.125 -1.103) 6.262 11.266 ( -0.008 -1.763 0.521) 1.838 11.325 ( -0.788 -5.016 -2.053) 5.477 11.480 ( 5.338 -1.961 -1.915) 6.001 11.592 ( -2.991 4.376 5.261) 7.468 11.645 ( 0.715 10.245 2.258) 10.515 11.768 ( -0.295 -6.932 0.232) 6.942 11.913 ( 4.032 1.166 -1.857) 4.590 12.147 ( 0.305 1.870 -2.549) 3.175 12.173 ( -0.743 -0.034 -3.253) 3.337 12.675 ( 1.135 4.386 0.765) 4.595 12.763 ( -8.913 8.293 2.228) 12.377 13.129 ( -13.994 5.385 12.955) 19.816 14.593 ( -0.154 -5.009 0.223) 5.016 14.718 ( 4.334 -0.197 1.801) 4.698 14.888 ( -3.278 -0.786 -2.341) 4.104 15.096 ( 1.265 -2.221 -5.757) 6.299 15.185 ( -1.450 4.650 -0.096) 4.872 15.314 ( 2.859 3.655 -0.403) 4.658 15.411 ( 0.172 -3.829 3.826) 5.416 15.661 ( -2.443 2.812 1.092) 3.882 15.786 ( 2.081 3.549 -4.320) 5.966 15.881 ( -1.076 2.717 6.316) 6.959 16.073 ( 1.155 6.533 -2.565) 7.113 16.507 ( -3.561 -1.846 1.813) 4.402 16.656 ( 5.560 -3.532 -5.465) 8.559 17.012 ( 6.630 -1.108 0.059) 6.722 17.542 ( 1.321 -1.168 0.377) 1.803 17.805 ( -0.877 7.031 -5.694) 9.090 25.521 ( 1.211 -1.308 0.203) 1.795 25.607 ( 1.417 -3.302 1.595) 3.931 25.638 ( -0.087 -1.342 -0.221) 1.363 25.730 ( -0.867 -0.461 1.509) 1.800 25.818 ( -0.660 0.776 -0.101) 1.024 26.268 ( 1.605 -0.874 -2.822) 3.362 26.413 ( -3.190 -0.372 -2.166) 3.874 26.513 ( -2.062 1.434 11.120) 11.400 26.729 ( -1.584 -2.615 -10.041) 10.496 27.147 ( -4.725 1.863 2.007) 5.461 27.891 ( -1.087 -0.298 -0.381) 1.190 28.446 ( -3.624 -0.396 -0.574) 3.690 28.550 ( -1.077 -7.289 7.257) 10.342 28.741 ( -6.459 -16.229 -3.118) 17.744 28.946 ( 3.854 5.416 -4.084) 7.802 29.424 ( 18.902 19.861 1.574) 27.463 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 7.032 -4.715 0.844) 8.508 2.391 ( 0.851 -16.379 -1.706) 16.489 2.604 ( 0.228 5.468 10.550) 11.885 2.879 ( 1.204 -11.392 -0.449) 11.465 3.102 ( -2.823 2.543 -4.233) 5.688 3.355 ( 3.776 -5.950 0.479) 7.063 3.471 ( 0.071 -7.370 3.868) 8.324 3.613 ( -0.689 5.461 -0.237) 5.509 3.711 ( -4.937 -4.866 -2.088) 7.240 3.805 ( 2.052 4.212 3.035) 5.582 3.968 ( 3.097 -5.258 -7.064) 9.335 4.083 ( -3.292 8.138 2.239) 9.059 4.227 ( -4.295 4.966 -0.037) 6.566 4.250 ( -3.807 -11.120 2.758) 12.073 4.313 ( 2.988 -0.086 -2.852) 4.132 4.678 ( -2.346 -0.459 1.864) 3.031 4.796 ( 11.748 -0.253 -0.696) 11.771 4.909 ( -5.681 4.885 -0.601) 7.516 5.064 ( 1.091 -6.916 -1.893) 7.252 5.116 ( 4.177 0.897 0.211) 4.278 5.321 ( -3.610 -1.598 1.093) 4.096 5.554 ( -0.506 -3.584 2.124) 4.196 5.721 ( 0.265 0.750 6.433) 6.482 5.802 ( -4.952 1.435 -5.964) 7.883 6.002 ( 2.601 0.556 2.621) 3.734 6.056 ( -1.800 1.887 -3.616) 4.458 6.344 ( 4.193 -0.879 1.801) 4.648 6.430 ( 1.807 -3.928 6.079) 7.459 6.487 ( -0.507 0.569 -0.037) 0.763 6.590 ( -2.361 3.358 -3.898) 5.661 6.779 ( -1.975 1.485 -1.823) 3.071 6.888 ( -3.335 1.939 -1.847) 4.277 7.069 ( 1.111 -1.669 -0.536) 2.075 7.195 ( 2.777 -2.772 -1.834) 4.331 7.382 ( 7.312 -1.685 0.531) 7.523 7.459 ( -3.079 -1.326 -1.848) 3.828 7.575 ( 0.790 2.621 -0.003) 2.737 7.821 ( -5.284 1.531 -2.911) 6.224 8.049 ( -1.131 0.099 1.700) 2.044 8.202 ( -1.710 0.498 -1.666) 2.439 8.619 ( -1.938 2.937 -0.351) 3.536 9.089 ( -0.251 -2.343 -0.017) 2.357 9.127 ( -2.014 0.212 -2.574) 3.275 9.222 ( 0.206 0.800 2.041) 2.202 9.269 ( -0.414 -3.607 -0.244) 3.639 9.406 ( 2.070 6.497 2.586) 7.292 9.666 ( 0.374 -2.416 -0.905) 2.607 10.000 ( 3.546 -6.147 2.026) 7.380 10.113 ( -2.716 3.080 -0.027) 4.106 10.612 ( 1.986 -2.953 0.847) 3.658 10.717 ( -0.377 0.123 -0.409) 0.570 10.959 ( 1.975 -0.567 -0.227) 2.068 11.312 ( 0.478 -3.106 2.496) 4.013 11.365 ( -1.498 -1.623 -1.601) 2.728 11.440 ( 0.323 5.431 -4.070) 6.794 11.515 ( 0.022 4.135 3.171) 5.211 11.653 ( 1.880 -5.066 2.452) 5.934 11.846 ( -1.039 -2.700 2.432) 3.780 11.932 ( 0.643 -0.261 -6.069) 6.109 12.030 ( 1.691 5.929 -0.710) 6.206 12.195 ( 0.735 -0.236 -0.266) 0.817 12.524 ( -2.282 4.098 -3.287) 5.728 12.742 ( -0.578 -0.590 4.298) 4.377 13.016 ( -5.728 3.333 5.274) 8.470 14.696 ( 1.891 -5.203 0.463) 5.555 14.781 ( 0.760 -0.797 0.870) 1.404 14.858 ( -3.261 -2.029 0.526) 3.877 15.029 ( 0.229 7.757 -2.176) 8.060 15.152 ( 0.479 -2.976 -3.085) 4.313 15.304 ( 1.410 1.232 0.956) 2.102 15.498 ( 0.628 -3.988 1.619) 4.350 15.590 ( -1.399 3.561 -0.123) 3.828 15.717 ( -1.472 2.685 1.194) 3.287 15.881 ( 2.863 1.071 0.537) 3.104 15.979 ( -1.281 2.378 -1.725) 3.206 16.522 ( -1.124 -0.966 0.734) 1.654 16.713 ( 1.799 -1.672 -2.066) 3.210 17.058 ( 2.253 -0.256 0.168) 2.273 17.581 ( 1.204 -2.025 1.404) 2.742 17.673 ( -1.359 4.698 -3.121) 5.801 25.548 ( 0.665 -0.684 0.246) 0.985 25.649 ( -0.221 -0.459 -0.519) 0.728 25.671 ( 1.005 -1.991 0.743) 2.351 25.738 ( -0.467 -0.329 0.957) 1.114 25.790 ( -0.526 1.344 -0.288) 1.472 26.286 ( 1.279 -0.440 -0.412) 1.414 26.384 ( -1.924 0.063 -1.106) 2.221 26.520 ( -0.962 0.811 4.510) 4.682 26.708 ( -0.776 -0.928 -4.858) 5.006 27.122 ( -0.603 0.522 1.521) 1.718 27.889 ( -0.152 -0.152 -0.207) 0.299 28.416 ( -1.848 0.440 -0.535) 1.974 28.666 ( -1.275 -3.392 4.550) 5.817 28.838 ( -0.660 -1.734 -6.623) 6.878 29.000 ( -2.638 -11.061 3.755) 11.975 29.232 ( 9.640 16.035 -1.130) 18.743 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 27.411 -0.000 24.159) 36.538 0.742 ( 43.810 -0.000 5.870) 44.202 1.260 ( 49.134 -0.000 44.169) 66.069 1.746 ( 0.796 -0.000 3.609) 3.695 2.541 ( -2.562 0.000 -1.712) 3.081 2.589 ( -10.142 0.000 1.701) 10.284 3.043 ( -15.672 0.000 1.147) 15.714 3.173 ( 0.236 -0.000 -10.348) 10.351 3.272 ( -6.286 0.000 2.144) 6.642 3.471 ( 11.918 -0.000 -4.512) 12.743 3.739 ( 3.547 -0.000 5.260) 6.344 4.046 ( 2.894 -0.000 6.243) 6.881 4.242 ( 2.991 -0.000 -6.480) 7.137 4.333 ( -3.677 0.000 -15.292) 15.727 4.385 ( 4.484 -0.000 1.004) 4.595 4.705 ( -5.587 0.000 -6.338) 8.449 4.827 ( -6.483 0.000 15.130) 16.460 4.844 ( -2.223 0.000 -5.192) 5.648 5.289 ( -5.553 0.000 -4.255) 6.995 5.404 ( -3.705 0.000 -3.550) 5.131 5.505 ( -1.647 0.000 5.786) 6.016 5.668 ( -6.493 0.000 -4.975) 8.180 5.669 ( 6.689 -0.000 6.280) 9.175 5.892 ( -0.647 0.000 6.615) 6.647 5.970 ( -0.757 0.000 5.476) 5.528 6.164 ( -0.730 0.000 6.326) 6.368 6.294 ( 9.419 -0.000 -2.891) 9.852 6.428 ( -7.564 0.000 1.804) 7.776 6.494 ( 1.160 -0.000 -5.978) 6.089 6.575 ( 8.711 -0.000 -8.152) 11.931 6.661 ( -6.481 0.000 2.901) 7.100 6.913 ( 3.469 -0.000 12.428) 12.903 7.247 ( -5.275 0.000 0.685) 5.319 7.260 ( -8.765 0.000 -2.569) 9.134 7.438 ( 4.395 -0.000 8.323) 9.412 7.479 ( 0.085 -0.000 -2.927) 2.928 7.800 ( 0.297 -0.000 -12.551) 12.555 7.826 ( 5.318 -0.000 -5.834) 7.894 8.056 ( -0.628 0.000 -0.565) 0.845 8.330 ( -8.463 0.000 -4.545) 9.607 8.640 ( -1.163 0.000 2.093) 2.395 9.010 ( -0.517 0.000 0.875) 1.016 9.032 ( -4.965 0.000 -3.782) 6.242 9.090 ( 1.187 -0.000 1.942) 2.276 9.348 ( -3.229 0.000 3.294) 4.613 9.478 ( -0.678 0.000 -0.849) 1.087 9.775 ( -5.939 0.000 0.156) 5.941 9.965 ( -4.320 0.000 1.632) 4.618 10.181 ( 6.124 -0.000 5.327) 8.117 10.184 ( 0.256 -0.000 5.747) 5.752 10.338 ( 5.789 -0.000 1.774) 6.055 10.692 ( 3.664 -0.000 -0.995) 3.796 10.915 ( 3.345 -0.000 1.785) 3.791 11.136 ( 3.457 -0.000 1.644) 3.828 11.487 ( -1.723 0.000 1.027) 2.006 11.597 ( -1.806 0.000 -0.944) 2.038 11.727 ( -0.160 0.000 0.749) 0.766 11.767 ( -20.047 0.000 31.680) 37.490 12.151 ( -11.079 0.000 8.010) 13.671 12.183 ( -2.569 0.000 -5.249) 5.844 12.271 ( -12.030 0.000 19.263) 22.711 12.565 ( -11.143 0.000 13.392) 17.421 12.761 ( 12.432 -0.000 -2.117) 12.611 13.320 ( -4.820 0.000 1.997) 5.217 14.657 ( -2.736 0.000 2.433) 3.661 14.806 ( -2.165 0.000 -0.308) 2.186 14.883 ( 4.346 -0.000 -0.020) 4.346 15.131 ( 2.208 -0.000 1.885) 2.903 15.220 ( -3.632 0.000 -2.657) 4.500 15.558 ( 0.014 -0.000 -2.106) 2.106 15.665 ( 12.949 -0.000 -15.324) 20.063 15.704 ( -3.901 0.000 9.339) 10.121 15.739 ( -2.520 0.000 -1.243) 2.809 16.051 ( -1.959 0.000 4.210) 4.644 16.091 ( -15.576 0.000 8.422) 17.707 16.366 ( 8.295 -0.000 -9.938) 12.945 16.718 ( 2.556 -0.000 1.725) 3.083 17.417 ( 4.273 -0.000 0.052) 4.273 17.459 ( -0.574 0.000 1.664) 1.760 17.903 ( 43.179 -0.000 -73.177) 84.966 25.447 ( 1.495 -0.000 0.989) 1.793 25.511 ( 0.832 -0.000 0.333) 0.896 25.581 ( -4.097 0.000 6.021) 7.283 25.708 ( -0.736 0.000 0.687) 1.007 25.793 ( -0.680 0.000 3.682) 3.744 26.064 ( 1.847 -0.000 4.015) 4.419 26.351 ( -1.878 0.000 -3.469) 3.945 26.432 ( -0.028 0.000 -0.804) 0.805 26.798 ( -15.864 0.000 26.547) 30.926 27.010 ( 3.104 -0.000 4.218) 5.237 27.712 ( 0.189 -0.000 -3.830) 3.835 28.146 ( -1.582 0.000 -2.506) 2.964 28.222 ( -0.714 0.000 -0.223) 0.748 28.468 ( -0.139 0.000 2.450) 2.454 29.183 ( -0.919 0.000 -7.536) 7.592 30.762 ( 16.753 -0.000 -25.028) 30.118 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 32.467 -12.770 6.635) 35.514 1.281 ( 25.775 -19.606 16.623) 36.402 1.852 ( 13.552 -16.771 21.981) 30.792 2.035 ( 14.070 -14.404 18.534) 27.367 2.598 ( -3.431 -11.282 -1.605) 11.901 2.713 ( -3.124 -20.464 -0.491) 20.707 3.048 ( -14.249 -10.174 1.257) 17.553 3.154 ( 2.333 -7.161 -3.473) 8.294 3.322 ( -5.407 -10.026 0.607) 11.407 3.604 ( 12.103 -7.622 -4.160) 14.896 3.810 ( -0.098 -2.751 6.663) 7.209 4.098 ( 2.857 1.826 -9.120) 9.730 4.128 ( 6.087 4.977 4.050) 8.845 4.286 ( -2.713 4.930 0.784) 5.682 4.361 ( 1.334 -0.448 -12.727) 12.805 4.605 ( -11.007 -0.721 -7.347) 13.254 4.712 ( -4.394 3.420 4.723) 7.301 4.994 ( -4.970 -7.666 2.546) 9.484 5.124 ( -8.587 9.227 -7.222) 14.527 5.348 ( -4.031 2.248 0.336) 4.627 5.555 ( -2.541 -2.693 4.935) 6.169 5.620 ( -1.826 -0.563 -3.019) 3.573 5.655 ( 6.014 8.082 4.436) 11.008 5.918 ( 0.177 1.615 6.603) 6.799 6.027 ( -1.647 -2.660 7.781) 8.386 6.169 ( 0.075 1.844 3.592) 4.038 6.320 ( 2.111 0.448 -1.064) 2.406 6.388 ( -4.803 0.077 -3.125) 5.730 6.469 ( 2.066 2.988 -1.995) 4.144 6.578 ( 1.288 -0.906 1.867) 2.443 6.677 ( 3.440 -5.456 -8.418) 10.605 6.962 ( 3.727 4.804 12.331) 13.749 7.082 ( -7.891 3.863 -2.186) 9.054 7.271 ( 4.462 0.048 -6.210) 7.647 7.377 ( 5.248 5.633 -0.838) 7.744 7.560 ( -2.816 -2.127 -9.294) 9.942 7.768 ( 2.046 5.108 0.630) 5.539 7.832 ( -3.192 -5.616 -1.095) 6.552 7.984 ( -2.519 3.613 -8.035) 9.163 8.251 ( -7.914 -1.521 -4.309) 9.139 8.671 ( -1.952 -3.333 1.538) 4.158 8.995 ( -5.158 -2.642 -3.733) 6.894 9.027 ( -2.311 -2.441 -2.490) 4.183 9.125 ( -0.682 -2.512 1.669) 3.092 9.340 ( -4.228 -1.328 1.459) 4.666 9.459 ( 1.187 2.334 2.355) 3.522 9.704 ( 2.256 3.255 5.890) 7.098 9.828 ( 2.818 8.863 3.647) 9.989 10.040 ( -0.237 -1.477 5.017) 5.235 10.387 ( 5.598 -1.744 0.883) 5.930 10.642 ( -2.844 -9.151 -2.912) 10.016 10.811 ( 6.270 -8.016 -4.594) 11.166 11.033 ( 3.595 -10.859 -1.423) 11.526 11.200 ( 4.217 -3.774 2.389) 6.143 11.464 ( -1.582 1.336 1.720) 2.691 11.579 ( -1.610 -0.627 -1.254) 2.135 11.705 ( -2.301 1.228 5.176) 5.796 11.839 ( -4.968 -3.907 9.012) 11.007 12.072 ( -6.166 2.380 -3.170) 7.331 12.128 ( -5.975 6.121 3.503) 9.243 12.187 ( -0.247 0.934 6.427) 6.500 12.672 ( -16.871 -7.732 14.786) 23.728 12.879 ( -0.716 -6.080 -2.801) 6.732 13.240 ( -7.217 5.890 5.239) 10.688 14.586 ( -1.829 4.578 2.463) 5.511 14.825 ( 0.426 -1.249 -1.496) 1.995 14.947 ( 2.131 -1.871 -2.610) 3.854 15.076 ( 0.692 4.800 1.358) 5.036 15.165 ( 0.513 4.650 -1.239) 4.839 15.470 ( 5.847 7.294 -2.443) 9.663 15.582 ( -1.556 7.740 1.052) 7.964 15.653 ( 0.180 -0.306 -0.468) 0.588 15.817 ( 8.453 -2.663 -8.872) 12.541 15.973 ( -10.548 2.691 9.356) 14.354 16.132 ( -6.234 -4.788 3.766) 8.716 16.399 ( -1.212 -4.070 -7.205) 8.363 16.752 ( 8.988 3.145 -0.155) 9.523 17.160 ( 19.131 18.178 -4.560) 26.781 17.504 ( 1.967 -1.054 0.225) 2.243 17.942 ( 6.818 -1.924 -25.111) 26.091 25.476 ( 1.898 -1.122 0.523) 2.266 25.529 ( 1.373 -1.055 1.246) 2.133 25.589 ( -1.620 -1.211 2.370) 3.116 25.710 ( -1.055 -0.503 0.973) 1.521 25.810 ( -0.081 -0.417 3.043) 3.073 26.200 ( -0.197 -5.896 -0.962) 5.978 26.347 ( -4.390 -3.536 -3.619) 6.699 26.454 ( -1.122 -3.483 0.047) 3.660 26.745 ( -2.783 4.604 11.636) 12.819 27.138 ( -5.753 -4.771 4.323) 8.634 27.785 ( -1.977 -8.538 -2.641) 9.153 28.178 ( -3.158 -8.954 -3.354) 10.070 28.264 ( -2.087 -5.490 -0.514) 5.896 28.477 ( -1.852 -0.559 2.387) 3.072 29.109 ( 0.718 3.131 -9.332) 9.869 30.411 ( 23.188 34.979 -2.518) 42.043 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 30.067 -12.682 3.704) 32.842 1.816 ( 8.259 -17.458 10.274) 21.876 2.295 ( 0.476 -11.659 7.445) 13.841 2.349 ( 4.289 -22.125 16.321) 27.826 2.879 ( -2.530 -17.648 -1.904) 17.930 2.985 ( 6.392 -8.785 -0.955) 10.906 3.154 ( -10.670 -13.940 6.603) 18.755 3.416 ( 2.002 -14.636 0.148) 14.773 3.546 ( -5.025 -21.803 0.793) 22.388 3.816 ( 6.774 -2.987 -4.116) 8.471 3.874 ( -3.323 -0.316 9.301) 9.882 3.994 ( 1.240 0.645 -13.421) 13.493 4.128 ( 4.543 3.186 3.963) 6.818 4.253 ( 13.322 -3.015 5.202) 14.616 4.337 ( -7.369 -0.124 -5.636) 9.278 4.563 ( -5.263 -8.102 -5.370) 11.054 4.675 ( -3.010 -0.409 2.552) 3.967 4.841 ( -8.591 7.625 -8.517) 14.300 5.021 ( -4.308 -0.019 -0.842) 4.390 5.274 ( 1.962 6.283 2.399) 7.005 5.489 ( -5.071 5.241 -5.165) 8.936 5.586 ( 2.036 3.100 4.417) 5.767 5.690 ( -1.905 -1.272 4.198) 4.783 5.901 ( -0.567 3.330 5.814) 6.724 6.072 ( -2.643 0.969 5.243) 5.951 6.131 ( -0.221 3.154 3.492) 4.711 6.298 ( -3.146 -1.082 0.202) 3.333 6.374 ( 9.537 2.313 -1.331) 9.903 6.461 ( 3.118 -1.249 -0.610) 3.414 6.661 ( 0.083 -6.394 -2.828) 6.992 6.744 ( -0.204 -3.395 -2.849) 4.437 6.912 ( -6.278 4.774 1.356) 8.003 6.978 ( -0.303 2.462 -2.536) 3.548 7.201 ( 0.791 3.720 -5.961) 7.070 7.393 ( 6.867 -0.070 -1.637) 7.060 7.486 ( 0.979 4.214 -7.245) 8.439 7.667 ( -2.579 3.895 -1.881) 5.036 7.866 ( -1.266 2.523 -6.888) 7.444 7.950 ( -3.939 -7.341 3.687) 9.111 8.207 ( -5.804 -1.132 -2.049) 6.258 8.693 ( -4.296 -0.847 -0.338) 4.392 8.998 ( -3.792 -3.270 -2.098) 5.429 9.021 ( -4.211 -2.775 -4.706) 6.898 9.164 ( -0.637 -2.330 -0.165) 2.421 9.342 ( -0.005 0.927 0.668) 1.143 9.470 ( 0.420 -1.915 3.652) 4.145 9.700 ( -0.893 4.771 3.860) 6.202 9.809 ( 6.979 -1.827 4.280) 8.388 10.107 ( 0.197 -2.918 3.809) 4.802 10.477 ( 5.085 -3.569 0.791) 6.262 10.689 ( -2.169 -2.178 -1.730) 3.527 10.925 ( 7.240 -2.469 -0.695) 7.681 11.158 ( 0.561 -5.649 -8.053) 9.853 11.331 ( 3.497 -1.248 6.696) 7.657 11.478 ( 3.347 -2.678 0.178) 4.290 11.598 ( -1.423 -2.380 -0.325) 2.792 11.699 ( -0.093 -0.722 1.172) 1.379 11.817 ( -1.726 7.390 1.612) 7.758 11.958 ( -0.852 3.198 -4.261) 5.395 12.094 ( -4.554 -4.386 1.684) 6.543 12.205 ( 1.033 1.577 6.906) 7.159 12.701 ( -12.520 -2.758 10.709) 16.704 12.835 ( -4.536 6.868 -6.591) 10.544 13.112 ( -12.292 3.681 10.668) 16.686 14.552 ( -0.542 -0.245 3.498) 3.548 14.806 ( 1.014 2.754 -1.705) 3.394 14.901 ( 4.092 5.702 -2.845) 7.573 15.023 ( 0.489 -0.431 -4.646) 4.692 15.190 ( -1.089 -4.165 3.368) 5.466 15.429 ( 5.128 4.647 -1.309) 7.043 15.443 ( 0.999 6.593 1.695) 6.880 15.662 ( -3.344 -0.666 1.278) 3.641 15.834 ( 4.904 2.384 -7.529) 9.296 15.912 ( -5.261 1.170 6.240) 8.246 16.124 ( -6.510 1.594 -0.896) 6.762 16.427 ( -3.540 -4.515 -0.744) 5.786 16.743 ( 13.950 5.986 -3.336) 15.542 17.105 ( 12.347 4.510 -0.962) 13.180 17.534 ( 1.273 -0.947 0.058) 1.587 17.844 ( -2.035 3.911 -11.744) 12.544 25.511 ( 1.750 -1.279 -0.045) 2.168 25.583 ( 1.844 -2.495 2.662) 4.088 25.612 ( -0.693 -1.558 0.543) 1.790 25.717 ( -1.349 -0.785 1.235) 1.990 25.824 ( -0.311 0.286 2.029) 2.073 26.257 ( 2.214 -1.594 0.269) 2.741 26.345 ( -4.609 -2.532 -3.401) 6.263 26.495 ( -2.971 -2.970 -1.905) 4.612 26.723 ( 0.000 2.617 7.985) 8.403 27.152 ( -1.168 0.481 3.470) 3.693 27.853 ( -1.618 -3.005 -2.226) 4.075 28.326 ( -6.784 -7.513 -5.291) 11.422 28.357 ( -5.368 -14.981 -0.952) 15.942 28.495 ( -3.174 -3.732 1.397) 5.094 29.027 ( 4.282 3.558 -6.684) 8.699 30.043 ( 19.618 30.319 3.395) 36.272 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 11.701 -1.541 3.409) 12.284 2.137 ( 6.229 -16.951 3.029) 18.311 2.629 ( 1.542 -17.830 -1.033) 17.927 2.715 ( 7.845 -5.375 18.673) 20.955 2.995 ( -6.560 -8.760 -4.113) 11.692 3.254 ( 6.062 -11.095 2.375) 12.864 3.318 ( -7.044 -11.547 8.163) 15.798 3.529 ( -6.432 -4.124 -6.326) 9.919 3.742 ( 1.177 3.069 -3.097) 4.516 3.853 ( -5.962 -4.739 -0.226) 7.620 3.911 ( -3.746 -5.886 8.667) 11.126 3.949 ( 7.749 -7.827 -5.084) 12.131 4.167 ( -9.358 4.011 -5.155) 11.412 4.251 ( 3.542 -5.418 -3.880) 7.547 4.289 ( -3.139 9.554 -5.154) 11.301 4.630 ( -7.710 -0.661 3.926) 8.677 4.821 ( 1.390 -5.290 -0.267) 5.476 4.866 ( 5.608 -14.073 2.687) 15.386 5.010 ( 9.108 -2.861 1.116) 9.612 5.215 ( 7.487 4.908 4.291) 9.928 5.337 ( -1.136 4.246 -3.722) 5.760 5.582 ( 2.325 3.871 6.306) 7.756 5.656 ( -8.320 -3.275 -4.772) 10.135 5.840 ( -1.426 6.146 5.334) 8.261 6.014 ( -1.976 1.222 -1.466) 2.747 6.132 ( 2.722 4.238 5.185) 7.229 6.331 ( -0.533 -2.762 -0.335) 2.832 6.428 ( 7.187 -1.398 0.572) 7.344 6.511 ( 4.188 -0.225 -1.186) 4.358 6.684 ( -0.341 8.914 -0.682) 8.947 6.735 ( -0.806 -3.962 -2.475) 4.741 6.820 ( -9.884 -2.987 -0.992) 10.373 6.953 ( -4.759 -3.612 -3.528) 6.939 7.197 ( 5.442 -2.120 -2.463) 6.339 7.345 ( -8.320 0.077 -8.095) 11.609 7.466 ( 10.172 1.090 -3.480) 10.806 7.600 ( -2.336 1.711 -0.756) 2.993 7.812 ( 0.379 0.997 -0.258) 1.097 8.031 ( -3.207 -2.786 4.721) 6.351 8.182 ( -2.176 -0.824 -0.806) 2.463 8.634 ( -5.601 2.077 0.282) 5.980 9.019 ( -2.125 -3.349 -5.736) 6.974 9.029 ( -2.615 -4.347 -1.488) 5.287 9.193 ( -0.771 -2.342 -1.847) 3.081 9.308 ( 1.025 3.892 2.117) 4.548 9.535 ( 0.519 -0.216 3.265) 3.313 9.623 ( 0.001 2.503 -0.725) 2.606 9.948 ( 5.074 -5.540 3.357) 8.228 10.142 ( -0.542 1.054 2.284) 2.573 10.584 ( 3.639 -4.107 1.503) 5.690 10.689 ( -1.721 -0.963 -1.156) 2.286 10.992 ( 3.991 0.367 0.695) 4.067 11.216 ( 1.436 -6.589 -9.408) 11.575 11.359 ( 0.345 1.969 7.141) 7.415 11.522 ( 2.153 4.281 -3.762) 6.092 11.576 ( -2.946 2.119 1.947) 4.118 11.650 ( -1.130 2.499 3.006) 4.069 11.819 ( 5.787 -4.145 -0.412) 7.130 11.919 ( 1.287 0.479 -2.079) 2.492 12.139 ( -0.649 -2.423 -1.985) 3.199 12.212 ( 3.205 4.558 7.119) 9.040 12.603 ( -2.745 10.239 -4.114) 11.371 12.699 ( -9.578 -2.724 4.612) 10.974 13.014 ( -12.581 2.195 7.616) 14.870 14.618 ( 0.732 -5.011 4.183) 6.568 14.779 ( -0.447 0.067 -2.124) 2.171 14.843 ( 2.626 2.005 -0.885) 3.420 15.062 ( 0.451 -4.974 -3.197) 5.930 15.167 ( 0.357 7.333 -1.481) 7.489 15.382 ( 4.701 3.084 1.782) 5.898 15.451 ( 0.684 -2.075 3.567) 4.183 15.624 ( -3.721 2.250 0.602) 4.390 15.762 ( -1.606 4.032 -1.624) 4.634 15.903 ( 0.013 0.386 -0.861) 0.943 16.004 ( -4.967 4.134 -2.725) 7.013 16.479 ( -1.659 -3.490 1.452) 4.128 16.762 ( 11.960 2.707 -1.980) 12.421 17.119 ( 6.604 3.204 0.120) 7.342 17.560 ( 0.421 -1.535 0.350) 1.629 17.699 ( -4.908 4.130 -6.925) 9.440 25.545 ( 1.296 -1.017 0.496) 1.721 25.630 ( -0.159 -1.164 -0.251) 1.201 25.654 ( 1.967 -2.413 2.133) 3.774 25.725 ( -1.613 -0.772 1.070) 2.084 25.811 ( -0.567 1.615 0.928) 1.947 26.294 ( -0.302 -0.322 2.630) 2.667 26.343 ( -0.535 -2.250 -2.538) 3.434 26.486 ( -2.010 -1.239 -6.730) 7.132 26.740 ( 1.259 1.219 10.395) 10.542 27.147 ( 1.035 1.835 1.648) 2.675 27.866 ( -0.943 -1.580 -2.218) 2.882 28.332 ( -6.662 -4.446 -5.849) 9.917 28.555 ( -6.024 -12.683 0.764) 14.061 28.559 ( -6.295 -8.540 -4.837) 11.661 29.011 ( 6.324 1.270 -0.119) 6.451 29.723 ( 14.306 26.557 3.912) 30.418 ======================= Grid point 14 (10/140) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -1.249 4.759 2.736) 5.630 2.457 ( 7.801 -11.158 -0.816) 13.639 2.636 ( -1.012 9.887 0.749) 9.966 2.892 ( -3.580 -4.210 -2.824) 6.206 3.111 ( 4.409 -4.434 9.976) 11.774 3.368 ( -1.754 -1.329 -1.682) 2.770 3.501 ( -3.977 -2.739 -0.107) 4.830 3.530 ( -1.298 -4.906 4.961) 7.097 3.687 ( -0.188 -0.766 0.977) 1.256 3.883 ( 1.444 2.945 -0.811) 3.379 3.933 ( 0.042 -5.770 -6.417) 8.630 4.074 ( -3.072 1.332 6.786) 7.567 4.111 ( 0.709 -2.565 -10.431) 10.765 4.194 ( -4.500 -10.785 0.658) 11.705 4.327 ( 1.888 -1.711 -4.068) 4.800 4.583 ( -9.832 -1.595 -0.517) 9.974 4.803 ( -2.076 3.932 1.365) 4.651 4.972 ( -5.726 -3.695 -0.421) 6.827 5.056 ( 12.084 5.570 3.427) 13.740 5.220 ( 4.285 5.390 2.091) 7.196 5.427 ( 6.278 3.498 3.491) 7.990 5.622 ( 8.389 -1.294 -0.766) 8.523 5.654 ( -3.266 -2.734 -3.589) 5.569 5.801 ( 1.399 -1.238 5.768) 6.063 6.002 ( -1.875 -1.202 2.455) 3.314 6.082 ( 2.868 3.001 3.446) 5.395 6.315 ( -2.410 1.920 -4.641) 5.570 6.445 ( -2.479 4.385 -7.282) 8.854 6.537 ( 4.160 0.321 -2.750) 4.997 6.590 ( 4.378 -0.679 4.116) 6.047 6.753 ( -1.510 -2.201 0.656) 2.749 6.855 ( -0.769 -4.081 3.470) 5.412 6.974 ( -6.567 -5.030 -3.621) 9.029 7.213 ( -6.386 -0.948 1.347) 6.595 7.301 ( -2.327 -2.754 -9.098) 9.786 7.526 ( 5.010 -3.041 -3.568) 6.861 7.539 ( -1.510 4.697 3.879) 6.276 7.848 ( 4.655 -1.825 4.259) 6.567 8.048 ( -1.227 -0.192 2.143) 2.477 8.205 ( 1.565 -2.144 1.316) 2.963 8.586 ( -3.168 -0.892 1.483) 3.610 9.038 ( -1.629 -4.236 -5.775) 7.345 9.091 ( 1.360 -3.901 -1.402) 4.363 9.222 ( -1.424 -4.317 -3.262) 5.595 9.258 ( -1.082 3.153 2.627) 4.244 9.445 ( 0.519 8.983 0.118) 8.998 9.660 ( -0.882 -3.504 0.112) 3.615 10.064 ( 0.851 1.320 0.464) 1.638 10.095 ( 1.248 0.241 1.482) 1.952 10.646 ( 1.194 1.060 0.849) 1.808 10.696 ( -0.588 -1.465 0.190) 1.590 10.982 ( -0.242 2.037 -0.315) 2.076 11.304 ( 2.347 -6.553 -7.368) 10.136 11.363 ( -0.616 0.980 3.216) 3.418 11.396 ( 0.342 4.849 -3.716) 6.118 11.495 ( -5.064 2.182 1.591) 5.739 11.720 ( 3.079 0.190 3.891) 4.966 11.889 ( 1.989 3.173 -3.111) 4.868 11.919 ( 3.341 -4.026 5.471) 7.569 12.131 ( 5.891 10.738 4.549) 13.066 12.162 ( -3.441 -1.760 -0.755) 3.938 12.510 ( 0.984 -1.043 2.448) 2.837 12.688 ( -6.107 -2.097 -3.361) 7.280 12.949 ( -6.206 -2.336 -0.494) 6.649 14.720 ( -2.070 -0.351 1.014) 2.332 14.762 ( 0.719 -3.035 1.060) 3.295 14.881 ( 2.540 -2.761 -0.468) 3.781 15.033 ( 3.340 7.140 -1.666) 8.057 15.137 ( -0.831 -4.242 0.747) 4.386 15.353 ( 2.556 4.870 1.772) 5.779 15.518 ( -0.048 -1.893 1.373) 2.339 15.559 ( -3.777 1.319 1.963) 4.456 15.691 ( 0.058 0.624 -4.682) 4.724 15.846 ( -4.788 1.875 -1.818) 5.454 15.962 ( 0.340 -1.042 -0.054) 1.097 16.521 ( 0.090 -1.561 0.612) 1.679 16.790 ( 7.769 3.607 1.319) 8.667 17.094 ( 2.156 3.928 0.030) 4.480 17.586 ( -4.377 1.608 -3.777) 6.001 17.605 ( -0.352 -3.849 0.683) 3.925 25.557 ( -0.077 0.575 0.568) 0.812 25.649 ( 0.992 -0.913 -0.448) 1.421 25.696 ( 0.463 0.608 1.435) 1.625 25.731 ( -1.143 -0.788 0.744) 1.575 25.783 ( -0.090 0.683 -0.378) 0.786 26.290 ( -2.385 0.282 2.669) 3.591 26.385 ( 2.867 -1.747 -0.349) 3.376 26.457 ( -0.613 -1.461 -8.880) 9.021 26.799 ( 2.924 1.051 13.747) 14.094 27.122 ( 1.086 1.385 -2.644) 3.176 27.875 ( -0.519 -1.381 -1.550) 2.140 28.344 ( -4.413 -5.611 -5.943) 9.289 28.591 ( -5.813 -4.632 -6.219) 9.691 28.704 ( -5.951 -10.482 0.089) 12.054 29.062 ( 2.935 -0.567 3.805) 4.839 29.424 ( 9.951 22.438 3.722) 24.826 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -8.518 14.747 0.267) 17.032 2.356 ( -4.455 19.251 -6.296) 20.739 2.543 ( 5.685 6.845 -2.836) 9.339 2.931 ( 3.117 -1.079 3.519) 4.824 3.183 ( -0.631 2.891 4.702) 5.556 3.239 ( -5.732 9.785 -2.421) 11.596 3.473 ( 2.420 2.393 0.159) 3.407 3.559 ( -3.548 -1.538 -0.293) 3.878 3.769 ( 1.597 -3.367 1.100) 3.886 3.832 ( -1.402 7.267 -0.839) 7.448 3.958 ( 0.814 -4.032 1.779) 4.481 4.163 ( 1.640 -4.284 6.964) 8.339 4.179 ( 1.388 5.193 -10.804) 12.067 4.252 ( -1.271 -6.523 -1.839) 6.896 4.320 ( 1.101 -5.762 -1.241) 5.996 4.577 ( -6.854 -3.381 0.549) 7.662 4.766 ( 4.423 0.708 -0.090) 4.480 4.976 ( -6.296 -2.285 0.358) 6.707 5.031 ( 2.508 11.186 2.274) 11.687 5.182 ( 6.053 3.396 6.353) 9.409 5.372 ( 1.225 2.683 -0.111) 2.952 5.521 ( -2.850 1.511 -3.659) 4.878 5.700 ( 0.441 1.762 1.027) 2.087 5.877 ( 1.939 -3.222 -5.121) 6.353 5.995 ( 4.419 3.087 3.057) 6.197 6.174 ( 7.901 1.756 3.681) 8.891 6.229 ( -4.940 0.848 -3.064) 5.874 6.306 ( -3.439 2.172 -5.302) 6.683 6.542 ( 5.680 0.147 -4.288) 7.118 6.672 ( 2.727 0.417 2.893) 3.998 6.826 ( 1.699 -5.103 0.536) 5.405 6.922 ( -7.718 -2.452 2.154) 8.380 6.985 ( -2.673 -5.381 2.927) 6.683 7.175 ( -4.346 2.524 0.362) 5.039 7.260 ( -1.610 1.367 -3.002) 3.671 7.477 ( -5.351 0.060 5.889) 7.957 7.612 ( 4.796 -3.160 -0.494) 5.765 7.943 ( 5.927 -1.853 0.417) 6.224 8.061 ( 1.022 -0.686 -0.135) 1.238 8.288 ( 4.087 -3.238 5.311) 7.442 8.646 ( -0.036 -6.389 1.461) 6.554 9.066 ( -1.195 -2.195 -2.502) 3.537 9.139 ( 1.599 -1.268 -2.934) 3.574 9.224 ( -0.541 0.137 -0.627) 0.839 9.263 ( 0.661 4.116 -0.252) 4.177 9.355 ( -1.681 -6.314 -1.442) 6.691 9.672 ( -0.147 2.123 1.081) 2.387 9.931 ( -2.786 8.854 -1.654) 9.428 10.166 ( 3.108 -1.638 0.799) 3.602 10.571 ( -1.678 6.537 -1.341) 6.881 10.721 ( 0.284 -0.978 1.655) 1.944 10.922 ( -3.683 3.161 -0.654) 4.897 11.289 ( 1.838 2.717 -3.681) 4.930 11.393 ( 1.530 -2.009 -0.843) 2.662 11.430 ( -4.955 -4.839 -2.014) 7.213 11.465 ( -1.212 -4.231 2.817) 5.225 11.627 ( 0.743 8.910 -1.755) 9.112 11.878 ( 3.101 1.934 0.627) 3.708 11.955 ( 0.069 8.087 1.974) 8.325 12.127 ( 3.177 -4.646 10.057) 11.525 12.153 ( -2.789 -1.675 -0.484) 3.289 12.598 ( -5.651 -2.489 4.800) 7.821 12.684 ( 7.381 -6.616 -5.891) 11.531 13.000 ( 0.533 -8.618 -9.406) 12.769 14.654 ( -3.083 3.665 0.251) 4.796 14.780 ( 2.940 5.285 -0.007) 6.047 14.924 ( 3.147 -0.776 -1.297) 3.491 15.050 ( 0.981 -5.076 1.877) 5.500 15.181 ( -1.363 -1.142 5.437) 5.720 15.295 ( 0.473 3.358 -0.260) 3.401 15.469 ( -0.742 4.117 -1.985) 4.630 15.605 ( 0.017 -5.134 0.831) 5.201 15.716 ( 3.696 -4.902 -7.835) 9.954 15.789 ( -8.238 -0.722 2.919) 8.770 16.001 ( -0.149 -2.776 1.103) 2.990 16.538 ( 1.408 0.195 -0.386) 1.473 16.761 ( 2.994 6.260 3.064) 7.586 17.028 ( -1.111 4.298 -0.238) 4.446 17.539 ( -2.281 0.049 -1.292) 2.622 17.698 ( -0.593 -7.276 1.516) 7.456 25.536 ( -0.678 1.496 0.105) 1.645 25.649 ( -0.745 2.473 -0.135) 2.586 25.667 ( 0.638 2.153 0.812) 2.388 25.728 ( -0.236 -0.276 -1.199) 1.253 25.802 ( 0.540 -1.742 0.237) 1.839 26.287 ( -1.402 0.329 4.496) 4.721 26.422 ( 2.804 -1.547 -7.639) 8.283 26.446 ( -0.179 -1.301 -1.975) 2.371 26.858 ( 2.380 3.298 13.097) 13.714 27.131 ( 4.489 -3.098 -2.984) 6.217 27.890 ( 0.633 -1.128 -0.844) 1.545 28.374 ( -5.268 -5.739 -7.751) 10.989 28.571 ( -2.601 -0.780 -5.162) 5.833 28.828 ( -3.011 -8.273 2.602) 9.180 29.009 ( -1.219 11.649 0.431) 11.720 29.246 ( 3.284 5.903 5.386) 8.639 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -8.958 22.084 -0.360) 23.834 1.861 ( -5.274 29.980 -8.193) 31.524 2.343 ( 0.418 21.430 -1.946) 21.522 2.774 ( 1.803 23.960 -0.192) 24.028 3.069 ( 3.963 4.863 2.682) 6.823 3.182 ( -2.873 -0.718 -0.621) 3.026 3.380 ( -0.014 9.572 -0.829) 9.608 3.591 ( -4.102 6.563 4.838) 9.127 3.664 ( 0.122 -3.027 -3.753) 4.824 3.825 ( 0.162 0.783 0.003) 0.800 3.912 ( 0.203 16.750 -5.024) 17.488 4.034 ( 0.779 1.674 1.864) 2.624 4.190 ( -3.011 12.828 1.399) 13.250 4.265 ( 2.647 0.284 4.690) 5.393 4.473 ( 0.390 3.568 1.146) 3.768 4.525 ( 2.733 -8.401 -6.263) 10.829 4.828 ( 4.585 -1.320 3.619) 5.989 4.901 ( -3.671 -7.400 -1.453) 8.388 5.067 ( -1.948 -9.347 1.057) 9.606 5.244 ( 6.697 0.205 8.638) 10.932 5.422 ( 1.960 -4.259 0.979) 4.789 5.517 ( -5.928 -4.391 -2.092) 7.668 5.596 ( -2.474 6.281 -5.699) 8.835 5.894 ( 0.999 -1.666 -5.251) 5.598 6.010 ( 10.012 3.204 -1.315) 10.594 6.123 ( -0.847 4.522 -0.774) 4.665 6.175 ( -7.191 -0.290 0.655) 7.227 6.317 ( 2.492 -3.164 0.244) 4.034 6.571 ( 3.983 -1.198 -4.699) 6.276 6.632 ( -0.203 6.062 1.776) 6.320 6.865 ( -1.463 5.673 2.079) 6.217 6.892 ( -5.806 -4.189 0.223) 7.163 7.091 ( -4.470 -1.867 5.932) 7.659 7.138 ( 3.215 -0.025 4.029) 5.155 7.196 ( 1.187 -0.202 -5.902) 6.024 7.529 ( -3.460 -5.890 4.527) 8.195 7.699 ( 2.040 -3.933 1.182) 4.585 7.999 ( 5.236 0.003 0.870) 5.308 8.068 ( -0.016 -0.473 -2.767) 2.807 8.403 ( 4.371 -2.014 5.882) 7.600 8.755 ( 0.555 -3.478 0.668) 3.585 9.049 ( -1.288 1.457 -1.601) 2.519 9.156 ( -1.599 -1.036 3.738) 4.195 9.195 ( 1.427 -3.604 -7.234) 8.207 9.245 ( 1.291 1.875 1.752) 2.872 9.503 ( 2.684 -6.375 -0.832) 6.967 9.618 ( -0.513 1.907 1.007) 2.217 9.733 ( -2.976 10.678 -2.787) 11.429 10.187 ( 2.496 2.362 0.732) 3.514 10.432 ( -2.610 6.482 -1.546) 7.156 10.747 ( 1.628 -0.315 1.394) 2.166 10.828 ( -5.361 2.959 -0.342) 6.133 11.282 ( 3.880 0.137 -0.522) 3.917 11.349 ( -0.988 6.837 1.676) 7.108 11.384 ( -6.883 2.065 -0.957) 7.250 11.567 ( 1.160 -5.064 -2.914) 5.956 11.631 ( 0.532 -9.231 -1.197) 9.324 11.802 ( 4.179 7.451 -1.442) 8.663 11.858 ( -4.901 4.092 2.275) 6.778 12.142 ( -1.007 -1.614 0.576) 1.988 12.293 ( 3.406 -3.101 8.420) 9.597 12.566 ( -3.426 -1.590 -7.813) 8.678 12.942 ( 6.543 -12.714 8.834) 16.807 13.142 ( 4.074 -13.641 -13.610) 19.695 14.577 ( -2.312 2.783 0.777) 3.701 14.723 ( 5.059 3.855 0.203) 6.364 14.907 ( -2.476 2.369 -0.511) 3.465 15.146 ( 0.890 -3.508 5.257) 6.383 15.213 ( 1.261 2.334 0.556) 2.710 15.296 ( -0.701 -6.148 0.622) 6.219 15.361 ( -0.857 6.549 -4.320) 7.892 15.690 ( 3.469 -1.761 -1.859) 4.311 15.772 ( -6.724 -2.295 6.002) 9.301 15.829 ( 2.292 -10.377 -7.156) 12.812 16.048 ( -2.862 -2.886 1.836) 4.459 16.537 ( 1.794 0.979 -0.862) 2.218 16.669 ( -0.417 7.322 2.996) 7.923 16.937 ( -2.443 4.832 -0.128) 5.416 17.519 ( -0.962 0.727 -0.112) 1.211 17.844 ( -0.465 -9.225 2.237) 9.504 25.506 ( -0.484 1.460 -0.012) 1.538 25.581 ( -0.619 3.907 -0.443) 3.981 25.639 ( 0.018 2.008 -0.027) 2.008 25.727 ( 0.298 0.020 -0.694) 0.755 25.828 ( 0.325 -0.577 0.207) 0.694 26.305 ( -0.446 -0.082 7.222) 7.236 26.410 ( 0.783 -1.702 -11.419) 11.571 26.464 ( 0.794 0.085 1.347) 1.566 26.840 ( 0.163 4.961 5.327) 7.281 27.284 ( 9.120 -8.105 3.218) 12.618 27.916 ( 2.186 -1.162 -0.487) 2.523 28.367 ( -5.981 -3.859 -7.661) 10.457 28.543 ( 2.575 1.961 -1.405) 3.529 28.756 ( -2.302 14.336 -2.048) 14.663 28.966 ( -0.615 -7.863 4.104) 8.891 29.214 ( -6.733 1.233 1.863) 7.094 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.000 26.234 -0.000) 26.234 1.258 ( 0.000 35.957 -0.000) 35.957 1.795 ( 0.000 42.096 -0.000) 42.096 2.320 ( 0.000 28.947 -0.000) 28.947 3.058 ( 0.000 10.190 -0.000) 10.190 3.114 ( 0.000 6.091 -0.000) 6.091 3.136 ( 0.000 13.528 -0.000) 13.528 3.437 ( 0.000 8.080 -0.000) 8.080 3.569 ( 0.000 16.231 -0.000) 16.231 3.689 ( 0.000 17.494 -0.000) 17.494 3.850 ( 0.000 10.825 -0.000) 10.825 3.860 ( -0.000 -12.037 0.000) 12.037 3.997 ( 0.000 3.551 -0.000) 3.551 4.359 ( -0.000 -3.355 0.000) 3.355 4.450 ( -0.000 -1.192 0.000) 1.192 4.655 ( -0.000 -5.957 0.000) 5.957 4.829 ( 0.000 3.751 -0.000) 3.751 5.136 ( -0.000 -17.963 0.000) 17.963 5.224 ( -0.000 -8.206 0.000) 8.206 5.309 ( 0.000 13.643 -0.000) 13.643 5.361 ( -0.000 -5.166 0.000) 5.166 5.544 ( -0.000 -7.294 0.000) 7.294 5.644 ( -0.000 -7.834 0.000) 7.834 5.894 ( 0.000 1.350 -0.000) 1.350 6.038 ( -0.000 -3.333 0.000) 3.333 6.055 ( 0.000 2.281 -0.000) 2.281 6.154 ( -0.000 -0.984 0.000) 0.984 6.395 ( -0.000 -2.259 0.000) 2.259 6.537 ( 0.000 2.103 -0.000) 2.103 6.599 ( -0.000 -0.491 0.000) 0.491 6.727 ( 0.000 8.488 -0.000) 8.488 6.906 ( 0.000 1.164 -0.000) 1.164 6.985 ( 0.000 8.140 -0.000) 8.140 7.217 ( -0.000 -2.524 0.000) 2.524 7.289 ( -0.000 -9.124 0.000) 9.124 7.627 ( -0.000 -6.286 0.000) 6.286 7.774 ( -0.000 -3.222 0.000) 3.222 8.049 ( -0.000 -0.704 0.000) 0.704 8.051 ( -0.000 -0.421 0.000) 0.421 8.448 ( 0.000 0.685 -0.000) 0.685 8.739 ( 0.000 4.347 -0.000) 4.347 9.030 ( -0.000 -0.475 0.000) 0.475 9.182 ( 0.000 4.582 -0.000) 4.582 9.229 ( -0.000 -3.213 0.000) 3.213 9.251 ( -0.000 -3.038 0.000) 3.038 9.466 ( 0.000 6.312 -0.000) 6.312 9.535 ( 0.000 8.668 -0.000) 8.668 9.724 ( -0.000 -8.590 0.000) 8.590 10.131 ( 0.000 5.310 -0.000) 5.310 10.328 ( 0.000 3.798 -0.000) 3.798 10.742 ( 0.000 2.969 -0.000) 2.969 10.791 ( -0.000 -2.072 0.000) 2.072 11.208 ( 0.000 7.464 -0.000) 7.464 11.259 ( 0.000 5.553 -0.000) 5.553 11.390 ( -0.000 -5.059 0.000) 5.059 11.626 ( -0.000 -1.462 0.000) 1.462 11.739 ( 0.000 1.020 -0.000) 1.020 11.758 ( -0.000 -0.404 0.000) 0.404 11.798 ( -0.000 -5.172 0.000) 5.172 12.178 ( -0.000 -2.245 0.000) 2.245 12.346 ( 0.000 1.349 -0.000) 1.349 12.558 ( -0.000 -2.211 0.000) 2.211 13.182 ( -0.000 -9.799 0.000) 9.799 13.405 ( -0.000 -17.236 0.000) 17.236 14.553 ( -0.000 -1.109 0.000) 1.109 14.738 ( -0.000 -2.442 0.000) 2.442 14.843 ( 0.000 2.496 -0.000) 2.496 15.173 ( 0.000 2.317 -0.000) 2.317 15.189 ( 0.000 10.143 -0.000) 10.143 15.238 ( -0.000 -3.507 0.000) 3.507 15.418 ( -0.000 -7.633 0.000) 7.633 15.683 ( 0.000 2.417 -0.000) 2.417 15.805 ( -0.000 -1.684 0.000) 1.684 16.018 ( -0.000 -11.778 0.000) 11.778 16.060 ( -0.000 -0.366 0.000) 0.366 16.523 ( 0.000 1.069 -0.000) 1.069 16.558 ( 0.000 6.204 -0.000) 6.204 16.839 ( 0.000 5.326 -0.000) 5.326 17.495 ( 0.000 1.624 -0.000) 1.624 17.999 ( -0.000 -8.410 0.000) 8.410 25.478 ( 0.000 1.857 -0.000) 1.857 25.523 ( 0.000 2.220 -0.000) 2.220 25.606 ( 0.000 1.801 -0.000) 1.801 25.722 ( 0.000 0.504 -0.000) 0.504 25.824 ( 0.000 1.228 -0.000) 1.228 26.342 ( -0.000 -1.059 0.000) 1.059 26.400 ( -0.000 -1.572 0.000) 1.572 26.463 ( 0.000 0.778 -0.000) 0.778 26.765 ( 0.000 5.438 -0.000) 5.438 27.509 ( -0.000 -10.608 0.000) 10.608 27.957 ( -0.000 -2.310 0.000) 2.310 28.381 ( -0.000 -3.417 0.000) 3.417 28.500 ( 0.000 13.040 -0.000) 13.040 28.542 ( 0.000 0.831 -0.000) 0.831 29.100 ( 0.000 5.722 -0.000) 5.722 29.106 ( -0.000 -6.954 0.000) 6.954 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 22.730 -0.000 22.828) 32.214 1.456 ( 40.982 -0.000 6.070) 41.429 1.750 ( -2.120 0.000 10.728) 10.935 2.208 ( 3.500 -0.000 12.154) 12.648 2.428 ( -5.516 0.000 -7.598) 9.389 2.636 ( 26.472 -0.000 23.231) 35.220 2.849 ( -14.048 0.000 7.623) 15.983 3.109 ( 4.509 -0.000 -7.173) 8.473 3.190 ( -6.394 0.000 2.836) 6.995 3.616 ( 11.596 -0.000 -2.582) 11.879 3.806 ( -5.486 0.000 9.470) 10.944 4.082 ( -3.813 0.000 -22.550) 22.870 4.115 ( 5.659 -0.000 -8.791) 10.455 4.281 ( 4.864 -0.000 6.171) 7.858 4.449 ( -14.756 0.000 -10.264) 17.974 4.461 ( -0.338 0.000 4.044) 4.058 4.760 ( 0.014 -0.000 -7.839) 7.839 4.864 ( -8.545 0.000 14.581) 16.900 5.128 ( -7.086 0.000 -6.552) 9.651 5.344 ( 0.251 -0.000 2.448) 2.461 5.537 ( -3.932 0.000 7.992) 8.907 5.558 ( -3.087 0.000 -8.157) 8.722 5.862 ( 8.014 -0.000 7.308) 10.846 5.903 ( -2.747 0.000 -3.531) 4.473 6.025 ( -2.277 0.000 11.023) 11.256 6.162 ( -3.045 0.000 4.838) 5.716 6.268 ( -11.330 0.000 -1.557) 11.437 6.441 ( 12.695 -0.000 -0.779) 12.719 6.457 ( 0.822 -0.000 -4.430) 4.506 6.629 ( 6.639 -0.000 -7.152) 9.758 6.638 ( -1.687 0.000 3.811) 4.167 7.085 ( -4.366 0.000 -11.431) 12.236 7.099 ( 4.998 -0.000 9.511) 10.745 7.125 ( -9.882 0.000 -0.027) 9.882 7.426 ( -2.635 0.000 -3.606) 4.467 7.557 ( 7.479 -0.000 -4.949) 8.968 7.754 ( 6.778 -0.000 -7.184) 9.877 7.910 ( 4.554 -0.000 5.125) 6.856 7.975 ( -7.209 0.000 -2.998) 7.807 8.113 ( -9.852 0.000 -7.573) 12.426 8.636 ( -2.162 0.000 1.960) 2.919 8.920 ( -3.882 0.000 -2.677) 4.716 8.974 ( -2.946 0.000 -4.377) 5.276 9.078 ( -4.507 0.000 1.646) 4.798 9.302 ( -5.124 0.000 2.140) 5.553 9.520 ( 4.793 -0.000 2.343) 5.335 9.750 ( 0.294 -0.000 1.697) 1.722 9.937 ( -1.411 0.000 2.077) 2.511 10.257 ( -0.275 0.000 0.666) 0.721 10.269 ( 0.916 -0.000 9.978) 10.020 10.455 ( 5.861 -0.000 3.142) 6.650 10.758 ( 5.538 -0.000 -1.017) 5.631 11.006 ( 6.641 -0.000 -0.636) 6.671 11.206 ( 3.095 -0.000 1.517) 3.447 11.468 ( -2.974 0.000 2.299) 3.759 11.556 ( -0.583 0.000 -2.672) 2.735 11.762 ( -8.116 0.000 12.137) 14.601 11.765 ( 2.561 -0.000 4.893) 5.522 12.045 ( -5.493 0.000 -3.825) 6.693 12.119 ( -1.065 0.000 -1.104) 1.534 12.241 ( -9.891 0.000 9.868) 13.971 12.503 ( -11.320 0.000 8.858) 14.374 12.896 ( 5.160 -0.000 -0.631) 5.198 13.279 ( -3.323 0.000 3.899) 5.123 14.648 ( -1.487 0.000 2.339) 2.772 14.774 ( -0.206 0.000 -1.729) 1.741 14.964 ( 4.413 -0.000 1.698) 4.728 15.012 ( -8.481 0.000 -4.455) 9.580 15.307 ( 6.567 -0.000 2.426) 7.001 15.544 ( 0.696 -0.000 -1.406) 1.569 15.621 ( -3.215 0.000 -0.341) 3.233 15.678 ( -2.714 0.000 -2.134) 3.453 15.821 ( 14.911 -0.000 -11.206) 18.652 15.935 ( -14.255 0.000 6.710) 15.756 16.064 ( -2.856 0.000 6.085) 6.722 16.319 ( -1.121 0.000 -7.330) 7.415 16.843 ( 11.727 -0.000 -0.968) 11.766 17.470 ( -0.811 0.000 2.784) 2.899 17.474 ( 1.699 -0.000 0.653) 1.820 17.842 ( 15.664 -0.000 -32.576) 36.146 25.488 ( 2.476 -0.000 0.562) 2.539 25.534 ( 1.538 -0.000 0.529) 1.626 25.574 ( -1.870 0.000 2.211) 2.896 25.700 ( -1.289 0.000 0.899) 1.571 25.832 ( -0.558 0.000 6.251) 6.276 26.148 ( 0.980 -0.000 6.787) 6.857 26.286 ( 0.057 -0.000 -4.890) 4.891 26.421 ( 0.072 -0.000 -1.496) 1.498 26.818 ( -6.827 0.000 13.401) 15.040 27.131 ( 4.839 -0.000 7.711) 9.104 27.658 ( -0.019 0.000 -7.575) 7.575 28.087 ( -2.311 0.000 -2.907) 3.714 28.207 ( -1.081 0.000 -0.049) 1.082 28.450 ( -5.364 0.000 0.026) 5.364 29.096 ( 2.649 -0.000 -10.279) 10.615 30.782 ( 6.748 -0.000 -8.378) 10.758 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 13.554 -9.790 16.136) 23.236 1.846 ( 32.706 -4.663 5.510) 33.493 2.015 ( 0.016 -17.751 6.270) 18.826 2.250 ( 0.227 -10.933 10.940) 15.468 2.509 ( -6.298 -16.908 -6.094) 19.044 2.871 ( -11.732 -8.630 4.282) 15.181 3.004 ( 14.127 -3.858 11.118) 18.386 3.205 ( 0.589 -10.457 7.391) 12.819 3.292 ( 6.600 -9.665 1.321) 11.778 3.755 ( 6.480 -5.430 -0.776) 8.490 3.833 ( -3.670 -5.207 8.535) 10.651 3.943 ( 1.175 1.083 -15.032) 15.116 4.191 ( 1.892 -8.904 -8.498) 12.453 4.273 ( -12.407 0.858 -7.588) 14.569 4.345 ( -3.978 5.541 -0.061) 6.821 4.393 ( 9.306 1.313 9.078) 13.066 4.683 ( -0.390 2.705 -1.342) 3.045 4.915 ( -6.830 4.889 -5.993) 10.319 4.964 ( -4.695 0.779 1.404) 4.962 5.371 ( 2.789 2.128 7.081) 7.903 5.463 ( -6.857 1.292 -10.466) 12.579 5.553 ( -6.019 -1.711 3.037) 6.956 5.805 ( 2.932 4.347 6.559) 8.397 5.957 ( 0.711 1.384 0.139) 1.562 6.080 ( -1.254 -1.735 8.058) 8.338 6.161 ( -4.856 1.009 1.766) 5.265 6.210 ( -3.171 -3.272 1.009) 4.667 6.460 ( 5.091 -0.962 -0.270) 5.188 6.527 ( 8.065 2.082 -1.902) 8.544 6.618 ( 0.683 0.545 1.951) 2.138 6.646 ( 0.483 -1.673 -4.588) 4.907 6.905 ( -5.944 5.404 -9.095) 12.135 7.131 ( 2.448 5.466 6.975) 9.194 7.140 ( -3.106 -4.068 -8.206) 9.671 7.354 ( -4.868 2.869 -3.279) 6.533 7.577 ( 8.448 0.621 -6.261) 10.533 7.775 ( -6.120 8.100 -5.122) 11.371 7.826 ( 0.218 -3.487 0.437) 3.521 7.904 ( 1.590 3.718 1.879) 4.459 8.096 ( -3.566 -4.307 -3.357) 6.522 8.639 ( -3.105 -1.384 -0.159) 3.403 8.907 ( -3.193 -2.082 0.135) 3.814 8.937 ( -4.623 -2.259 -4.611) 6.909 9.093 ( -3.094 -3.873 0.705) 5.007 9.301 ( -2.411 -2.918 1.531) 4.083 9.522 ( 3.517 4.101 0.434) 5.420 9.763 ( 0.626 0.901 4.365) 4.501 9.906 ( 2.809 4.049 2.552) 5.550 10.116 ( 1.079 2.094 5.749) 6.213 10.468 ( 4.093 -3.134 -0.186) 5.159 10.603 ( -0.995 -7.417 2.968) 8.050 10.877 ( 4.576 -8.520 -0.874) 9.711 11.062 ( 4.211 -2.518 -7.973) 9.362 11.305 ( 4.669 -7.807 5.612) 10.688 11.455 ( -2.425 -0.379 2.569) 3.553 11.556 ( 1.141 -1.336 -2.528) 3.079 11.730 ( -0.974 2.526 4.215) 5.009 11.844 ( -3.341 -0.363 4.023) 5.242 11.975 ( -1.682 -0.356 -2.519) 3.050 12.060 ( -2.442 4.587 2.584) 5.803 12.232 ( -5.052 -1.626 8.115) 9.697 12.514 ( -14.743 -6.692 6.790) 17.557 12.881 ( -0.607 3.674 -3.438) 5.068 13.217 ( -2.220 7.267 5.392) 9.317 14.597 ( -0.285 3.544 3.107) 4.722 14.816 ( -0.113 -1.460 -0.991) 1.768 14.883 ( -3.198 0.635 -6.446) 7.223 15.072 ( -0.033 -4.545 2.280) 5.086 15.240 ( 4.851 11.104 -0.623) 12.134 15.524 ( 2.644 2.764 0.424) 3.848 15.571 ( 0.605 4.856 0.239) 4.899 15.625 ( -2.779 0.348 0.565) 2.857 15.859 ( -2.351 0.750 -1.685) 2.988 15.896 ( 1.736 -1.348 -3.373) 4.026 16.076 ( -4.467 -0.154 2.223) 4.992 16.318 ( -1.597 -4.605 -3.146) 5.801 16.915 ( 12.931 2.670 -2.034) 13.359 17.329 ( 6.616 10.623 0.354) 12.520 17.529 ( 0.296 -1.187 0.855) 1.492 17.802 ( 1.859 0.859 -17.656) 17.774 25.510 ( 2.137 -0.440 -0.342) 2.208 25.570 ( 1.969 -2.107 0.697) 2.967 25.584 ( -1.294 -1.312 2.178) 2.853 25.699 ( -1.473 -0.565 0.908) 1.820 25.852 ( -0.080 0.909 5.466) 5.542 26.215 ( -3.733 -4.076 2.695) 6.149 26.287 ( 3.691 -0.635 -1.921) 4.209 26.429 ( -0.242 -1.669 -2.594) 3.094 26.809 ( -3.223 2.348 10.832) 11.543 27.200 ( 4.275 1.122 7.211) 8.458 27.714 ( -1.599 -9.069 -6.462) 11.250 28.085 ( -3.690 -4.738 -4.250) 7.357 28.226 ( -2.727 -3.424 -0.610) 4.420 28.409 ( -6.800 -2.390 -2.417) 7.602 29.068 ( 5.222 1.358 -7.448) 9.198 30.607 ( 8.434 20.751 -1.825) 22.474 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -0.646 -10.024 5.678) 11.539 2.094 ( 23.856 -4.349 5.282) 24.818 2.343 ( 4.750 -16.956 1.928) 17.714 2.701 ( 12.462 -17.118 18.479) 28.103 2.724 ( -7.136 -15.686 -2.063) 17.356 3.010 ( -9.410 -16.699 4.420) 19.671 3.189 ( 5.228 -7.962 7.713) 12.257 3.399 ( -6.310 -2.062 -3.647) 7.574 3.456 ( -4.079 -18.117 -4.437) 19.094 3.764 ( 1.249 -3.534 -8.773) 9.540 3.926 ( -1.535 -3.036 3.281) 4.727 3.955 ( -1.115 3.853 1.409) 4.251 4.108 ( -8.920 2.034 -5.012) 10.432 4.214 ( -1.961 1.931 -0.697) 2.839 4.358 ( 0.023 -2.601 -3.536) 4.390 4.592 ( -1.430 2.733 -6.153) 6.882 4.633 ( 1.478 -6.869 2.465) 7.446 4.833 ( 10.124 -8.134 10.482) 16.689 5.003 ( 7.410 -4.787 1.900) 9.024 5.323 ( -7.214 1.445 -12.137) 14.193 5.382 ( 5.693 4.372 7.539) 10.410 5.533 ( -5.633 -0.932 0.011) 5.710 5.765 ( 4.250 8.725 6.088) 11.457 5.931 ( -0.517 1.835 1.932) 2.714 6.058 ( -2.207 4.266 4.121) 6.329 6.191 ( 0.066 -3.016 3.926) 4.951 6.259 ( -0.091 -2.883 -0.918) 3.027 6.497 ( 3.945 3.041 -0.892) 5.060 6.541 ( 5.127 -0.520 -1.590) 5.393 6.644 ( -7.591 -5.709 1.468) 9.611 6.667 ( -1.688 -2.308 -1.511) 3.234 6.738 ( -3.648 3.526 -7.732) 9.247 7.004 ( -0.336 10.953 0.602) 10.974 7.145 ( 0.895 -4.139 -12.431) 13.132 7.254 ( -6.491 2.594 -0.936) 7.053 7.578 ( 1.487 7.023 -6.884) 9.946 7.613 ( 2.789 -0.108 -0.508) 2.837 7.835 ( 0.051 0.019 2.068) 2.069 7.963 ( -0.405 -4.414 4.396) 6.242 8.124 ( -1.734 -2.921 -1.850) 3.868 8.608 ( -5.286 0.618 -1.194) 5.454 8.914 ( -3.289 -2.214 -2.341) 4.604 8.958 ( -1.065 -4.404 -0.562) 4.566 9.139 ( -1.083 -3.029 -0.528) 3.260 9.354 ( 0.330 -1.522 0.930) 1.814 9.480 ( -0.630 0.102 -1.181) 1.343 9.733 ( 0.419 5.725 3.134) 6.540 9.930 ( 3.822 -2.290 1.997) 4.882 10.155 ( 0.800 -1.270 2.918) 3.281 10.549 ( 3.154 -3.513 1.387) 4.921 10.672 ( 0.596 -1.145 2.577) 2.882 10.995 ( -0.585 -2.182 -1.503) 2.714 11.104 ( 6.458 -5.201 -8.613) 11.956 11.432 ( -0.174 0.817 5.986) 6.044 11.543 ( 3.758 -3.640 -2.925) 5.993 11.580 ( 0.016 -1.835 3.126) 3.625 11.710 ( -3.295 4.850 0.834) 5.922 11.752 ( 1.848 -3.601 -3.973) 5.672 11.984 ( 1.922 4.477 5.543) 7.380 12.054 ( -0.158 -4.488 -0.728) 4.549 12.279 ( -2.650 -2.303 9.439) 10.071 12.540 ( -14.265 -6.746 3.743) 16.217 12.728 ( -4.097 8.760 -5.957) 11.358 13.072 ( -4.334 10.194 5.925) 12.562 14.597 ( 0.730 -1.100 4.699) 4.881 14.763 ( -1.845 1.144 -3.572) 4.180 14.896 ( 0.886 -1.140 -3.718) 3.988 15.038 ( 2.488 5.699 -0.487) 6.237 15.208 ( 0.606 -1.733 0.792) 1.999 15.488 ( 4.278 5.532 0.981) 7.061 15.506 ( 2.738 3.004 2.150) 4.598 15.611 ( -4.424 0.087 1.345) 4.625 15.790 ( -7.103 2.606 1.282) 7.674 15.904 ( 4.279 0.730 -7.122) 8.341 16.010 ( -4.718 3.000 -0.686) 5.633 16.398 ( -0.597 -5.712 0.525) 5.767 16.938 ( 13.990 5.370 -0.855) 15.010 17.255 ( 6.931 6.005 0.749) 9.201 17.546 ( 0.411 -0.460 -0.348) 0.709 17.672 ( -6.483 3.415 -9.594) 12.072 25.537 ( 1.706 -1.230 -0.156) 2.109 25.603 ( -0.486 -1.684 -0.206) 1.764 25.639 ( 1.771 -2.690 2.455) 4.049 25.703 ( -1.674 -0.741 0.778) 1.989 25.850 ( -0.112 2.013 3.615) 4.139 26.240 ( -4.427 -3.073 -0.603) 5.422 26.338 ( 4.064 -1.044 2.086) 4.686 26.428 ( 0.024 -0.647 -5.726) 5.762 26.816 ( -0.813 0.836 10.791) 10.854 27.229 ( 4.467 3.570 5.167) 7.707 27.791 ( -2.222 -4.723 -4.696) 7.021 28.119 ( -8.646 -7.749 -8.820) 14.580 28.289 ( -3.246 -9.021 -1.619) 9.723 28.427 ( -4.456 -5.659 -0.963) 7.267 29.069 ( 6.007 0.743 -2.612) 6.592 30.281 ( 8.989 25.978 1.972) 27.560 ======================= Grid point 23 (17/140) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 2.239 -0.154 4.089) 4.665 2.393 ( 15.460 -7.174 5.140) 17.802 2.565 ( -5.450 -10.914 -2.691) 12.493 2.817 ( -4.989 -2.997 -3.421) 6.751 3.103 ( 9.966 -9.224 17.195) 21.910 3.251 ( -3.919 -10.407 -0.916) 11.158 3.384 ( -5.869 -9.110 6.655) 12.717 3.423 ( 4.315 -10.155 3.760) 11.656 3.662 ( -1.078 -14.691 -9.834) 17.711 3.775 ( -6.927 7.032 1.394) 9.968 3.851 ( -3.048 -2.820 -10.518) 11.308 3.990 ( -0.028 -3.701 -1.541) 4.009 4.022 ( -4.365 -3.220 1.511) 5.630 4.215 ( -2.216 8.181 0.207) 8.478 4.251 ( 3.522 -5.626 -6.142) 9.043 4.505 ( -8.843 1.120 0.103) 8.914 4.824 ( 1.782 -7.120 2.245) 7.675 4.877 ( -2.424 2.058 0.258) 3.190 5.223 ( 2.371 -0.022 -7.416) 7.786 5.335 ( 7.007 0.531 5.622) 8.999 5.420 ( 0.243 -1.092 1.297) 1.712 5.606 ( 14.889 -10.786 7.076) 19.700 5.704 ( 5.144 5.051 5.701) 9.191 5.884 ( 1.269 5.308 2.936) 6.198 6.001 ( -0.479 2.183 5.274) 5.728 6.186 ( 0.969 4.785 1.375) 5.072 6.307 ( -0.601 -1.092 -3.243) 3.475 6.460 ( -0.748 -0.414 -5.907) 5.968 6.497 ( -2.625 3.494 -6.377) 7.731 6.607 ( -7.529 -3.769 -2.917) 8.911 6.720 ( -1.026 0.549 3.529) 3.716 6.769 ( 0.942 -7.217 1.928) 7.529 6.877 ( -0.647 0.749 -0.412) 1.072 7.131 ( -6.590 -0.164 -6.955) 9.583 7.181 ( -2.996 -2.316 -5.466) 6.649 7.514 ( 3.265 -0.146 -2.039) 3.853 7.624 ( 2.756 2.389 0.346) 3.663 7.874 ( 2.201 -1.219 4.531) 5.183 8.030 ( -1.420 -2.283 2.997) 4.027 8.158 ( -0.374 -3.675 -1.059) 3.843 8.552 ( -4.820 0.237 -0.071) 4.826 8.926 ( -1.627 -3.810 -3.910) 5.697 9.039 ( 2.348 -4.412 0.691) 5.046 9.159 ( -0.984 -1.094 -1.185) 1.889 9.313 ( -1.775 4.387 -0.068) 4.733 9.544 ( -0.830 -6.757 0.093) 6.809 9.615 ( 0.024 9.072 -0.629) 9.094 10.031 ( 2.577 -5.326 0.762) 5.966 10.155 ( -0.365 3.112 1.124) 3.329 10.644 ( 1.811 -3.592 2.457) 4.714 10.701 ( 2.319 0.492 3.322) 4.081 10.974 ( -3.016 -0.492 -5.175) 6.010 11.213 ( 5.642 -4.432 -3.804) 8.121 11.417 ( -0.278 3.987 3.672) 5.427 11.483 ( -2.118 3.471 -2.697) 4.879 11.513 ( -2.726 7.280 -1.921) 8.008 11.729 ( 3.989 -4.914 4.485) 7.757 11.909 ( 7.523 -4.683 -2.479) 9.201 11.964 ( 1.503 3.170 5.421) 6.458 12.094 ( -2.560 -2.127 -1.477) 3.641 12.332 ( 1.141 2.135 8.809) 9.136 12.550 ( -4.065 2.142 0.367) 4.610 12.555 ( -4.366 -2.454 -5.511) 7.447 12.891 ( -9.612 6.154 2.451) 11.674 14.677 ( 0.245 -4.151 4.329) 6.003 14.741 ( 0.145 -0.732 -1.746) 1.899 14.868 ( 1.699 1.216 -2.370) 3.159 15.053 ( -0.002 -4.550 0.092) 4.551 15.181 ( 3.395 6.138 -1.413) 7.155 15.471 ( 3.762 4.780 1.692) 6.314 15.501 ( 0.393 -0.848 4.694) 4.787 15.560 ( -4.889 1.767 0.377) 5.212 15.683 ( -5.715 2.898 -2.865) 7.019 15.856 ( -0.145 3.258 -4.374) 5.456 15.954 ( -0.404 0.429 -0.419) 0.722 16.480 ( 0.025 -3.807 0.791) 3.888 16.957 ( 12.478 5.639 1.906) 13.825 17.206 ( 3.964 5.989 0.506) 7.200 17.506 ( -7.421 0.231 -6.866) 10.112 17.582 ( -1.358 -0.735 0.380) 1.590 25.564 ( 0.541 -0.378 0.420) 0.782 25.630 ( 0.875 -1.928 -0.737) 2.242 25.700 ( -0.879 -0.608 1.227) 1.627 25.708 ( 0.403 -2.142 1.342) 2.559 25.817 ( -0.336 3.135 1.374) 3.440 26.257 ( -3.103 -2.556 0.739) 4.088 26.389 ( 0.417 -1.561 1.281) 2.062 26.405 ( 2.988 0.635 -6.212) 6.922 26.880 ( 1.412 -1.591 11.937) 12.125 27.185 ( 2.545 6.191 -0.562) 6.717 27.817 ( -1.644 -3.380 -2.990) 4.803 28.139 ( -7.386 -7.701 -8.427) 13.597 28.422 ( -3.390 -9.099 -2.707) 10.080 28.507 ( -3.141 -8.319 0.596) 8.913 29.104 ( 4.376 -0.152 0.884) 4.467 29.918 ( 6.819 26.204 2.567) 27.198 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -1.110 11.709 1.841) 11.905 2.530 ( 2.327 5.530 -1.483) 6.181 2.640 ( 0.890 -1.377 -0.553) 1.730 2.805 ( -2.444 -7.685 -0.591) 8.086 3.281 ( -1.653 1.604 0.713) 2.411 3.332 ( 4.421 1.443 8.137) 9.373 3.486 ( -0.121 -0.112 2.438) 2.443 3.562 ( -1.468 1.797 4.094) 4.706 3.663 ( -2.606 -8.836 -6.758) 11.426 3.825 ( -1.539 -8.120 -5.463) 9.906 3.859 ( 0.362 -4.717 -0.499) 4.757 4.049 ( 0.200 -7.305 -2.510) 7.727 4.129 ( -1.387 -7.278 -1.370) 7.535 4.169 ( -0.076 -2.312 6.745) 7.131 4.308 ( 2.965 3.391 -6.719) 8.089 4.443 ( -6.586 -5.689 1.174) 8.781 4.815 ( 3.092 2.404 -1.091) 4.066 4.886 ( -5.464 -1.406 1.329) 5.796 5.262 ( 8.776 2.960 1.425) 9.371 5.314 ( 2.794 7.559 4.463) 9.212 5.392 ( -4.764 -2.500 -3.499) 6.418 5.601 ( -0.077 12.889 0.042) 12.889 5.785 ( 2.521 -0.566 0.027) 2.584 5.833 ( 0.996 3.797 4.435) 5.923 6.079 ( 1.973 2.048 3.668) 4.641 6.202 ( -4.515 3.804 -6.264) 8.608 6.260 ( 13.366 -7.259 7.098) 16.784 6.328 ( -1.295 6.384 -4.428) 7.877 6.530 ( -0.750 -4.493 -4.222) 6.211 6.651 ( -1.515 -5.733 -2.047) 6.273 6.723 ( -0.193 -4.788 -0.750) 4.850 6.851 ( -5.020 2.833 -0.228) 5.769 6.918 ( -0.521 -5.983 6.962) 9.195 7.104 ( -0.271 -3.915 -5.375) 6.655 7.185 ( -5.332 -5.091 -1.848) 7.600 7.549 ( -1.242 5.418 4.624) 7.231 7.582 ( 2.912 -2.200 -2.998) 4.723 7.943 ( 3.184 -2.502 1.206) 4.225 8.058 ( -0.312 -0.741 1.462) 1.669 8.243 ( 1.087 -6.126 0.958) 6.295 8.550 ( -2.196 -3.796 0.573) 4.422 8.978 ( -0.363 -4.875 -2.705) 5.587 9.135 ( 5.306 -2.634 -0.954) 6.001 9.178 ( -0.506 -3.087 -1.754) 3.586 9.233 ( -5.104 0.282 2.145) 5.544 9.429 ( -0.646 11.138 -1.380) 11.242 9.651 ( -0.174 -4.785 0.018) 4.788 10.057 ( -0.671 7.618 0.304) 7.653 10.137 ( 1.399 -4.283 0.063) 4.506 10.662 ( 0.430 3.976 0.088) 4.001 10.734 ( 2.028 -0.049 3.692) 4.213 10.925 ( -3.093 1.151 -3.540) 4.839 11.294 ( 2.159 -3.192 -2.065) 4.372 11.365 ( -1.904 0.592 0.317) 2.019 11.385 ( 2.120 4.059 -2.776) 5.355 11.435 ( -3.066 0.874 1.349) 3.462 11.804 ( 2.215 7.629 2.403) 8.300 11.925 ( 5.986 0.309 -1.973) 6.310 11.994 ( -3.417 -2.398 4.572) 6.191 12.091 ( -1.499 -2.373 -1.240) 3.068 12.274 ( 4.060 10.874 5.842) 12.994 12.532 ( -6.896 -1.430 -1.201) 7.144 12.613 ( 8.184 -6.745 0.247) 10.609 12.806 ( -8.585 -5.462 -4.152) 10.990 14.688 ( -1.058 2.084 -0.282) 2.354 14.815 ( 1.319 -3.955 3.255) 5.289 14.887 ( 0.581 -3.013 -2.605) 4.025 15.093 ( 4.793 6.113 -1.116) 7.848 15.137 ( -1.533 -4.421 2.480) 5.296 15.398 ( 1.039 6.590 1.039) 6.751 15.494 ( -4.097 1.015 -0.120) 4.222 15.528 ( -1.277 -1.067 1.532) 2.262 15.644 ( 0.770 -2.618 -4.094) 4.921 15.783 ( -1.677 2.981 -0.156) 3.423 15.967 ( 0.190 -1.799 -0.116) 1.812 16.530 ( 0.329 -1.804 0.215) 1.847 16.925 ( 5.317 8.093 1.850) 9.858 17.122 ( 1.203 6.494 0.088) 6.605 17.468 ( -4.307 -4.310 -2.789) 6.701 17.611 ( -0.113 -2.982 0.467) 3.020 25.558 ( -0.204 1.259 0.226) 1.295 25.667 ( 1.562 -0.552 -0.223) 1.671 25.692 ( -1.469 -0.620 0.125) 1.599 25.741 ( 0.232 2.726 1.936) 3.352 25.775 ( -0.096 -1.018 -1.018) 1.443 26.284 ( -1.614 -1.849 2.754) 3.689 26.377 ( 1.020 -0.145 -6.398) 6.481 26.432 ( 1.074 -1.269 1.253) 2.081 26.986 ( 1.572 0.504 14.644) 14.737 27.095 ( 1.820 1.092 -8.519) 8.780 27.854 ( -0.113 -2.920 -1.168) 3.147 28.177 ( -5.457 -6.858 -5.903) 10.566 28.496 ( -1.532 -4.209 -1.327) 4.672 28.656 ( -1.681 -10.512 0.620) 10.664 29.123 ( 1.360 2.465 1.320) 3.109 29.560 ( 3.554 22.202 1.786) 22.556 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 18.750 -0.000) 18.750 2.269 ( 0.000 22.407 -0.000) 22.407 2.598 ( 0.000 8.496 -0.000) 8.496 2.990 ( -0.000 -11.448 0.000) 11.448 3.117 ( 0.000 15.473 -0.000) 15.473 3.240 ( 0.000 7.712 -0.000) 7.712 3.500 ( 0.000 4.516 -0.000) 4.516 3.559 ( -0.000 -3.801 0.000) 3.801 3.752 ( 0.000 7.277 -0.000) 7.277 3.795 ( -0.000 -4.308 0.000) 4.308 3.996 ( -0.000 -7.718 0.000) 7.718 4.114 ( 0.000 7.367 -0.000) 7.367 4.218 ( -0.000 -4.164 0.000) 4.164 4.248 ( -0.000 -1.897 0.000) 1.897 4.309 ( -0.000 -12.663 0.000) 12.663 4.535 ( -0.000 -4.835 0.000) 4.835 4.857 ( -0.000 -0.093 0.000) 0.093 4.880 ( -0.000 -7.563 0.000) 7.563 5.038 ( 0.000 22.205 -0.000) 22.205 5.326 ( 0.000 4.045 -0.000) 4.045 5.360 ( -0.000 -4.585 0.000) 4.585 5.465 ( 0.000 2.242 -0.000) 2.242 5.710 ( 0.000 8.549 -0.000) 8.549 5.848 ( -0.000 -2.168 0.000) 2.168 6.083 ( -0.000 -0.176 0.000) 0.176 6.120 ( 0.000 0.261 -0.000) 0.261 6.211 ( 0.000 5.547 -0.000) 5.547 6.377 ( 0.000 4.744 -0.000) 4.744 6.553 ( -0.000 -1.402 0.000) 1.402 6.745 ( -0.000 -6.493 0.000) 6.493 6.748 ( 0.000 4.609 -0.000) 4.609 6.858 ( -0.000 -7.749 0.000) 7.749 7.019 ( -0.000 -4.175 0.000) 4.175 7.124 ( -0.000 -1.720 0.000) 1.720 7.243 ( -0.000 -0.072 0.000) 0.072 7.460 ( 0.000 0.867 -0.000) 0.867 7.650 ( -0.000 -3.513 0.000) 3.513 8.001 ( -0.000 -2.337 0.000) 2.337 8.060 ( 0.000 0.503 -0.000) 0.503 8.363 ( -0.000 -6.159 0.000) 6.159 8.648 ( -0.000 -7.872 0.000) 7.872 9.038 ( -0.000 -2.903 0.000) 2.903 9.137 ( 0.000 0.610 -0.000) 0.610 9.214 ( 0.000 2.853 -0.000) 2.853 9.266 ( 0.000 3.202 -0.000) 3.202 9.333 ( -0.000 -10.910 0.000) 10.910 9.678 ( 0.000 1.697 -0.000) 1.697 9.899 ( 0.000 10.623 -0.000) 10.623 10.199 ( -0.000 -2.072 0.000) 2.072 10.548 ( 0.000 8.440 -0.000) 8.440 10.755 ( -0.000 -0.349 0.000) 0.349 10.860 ( 0.000 3.570 -0.000) 3.570 11.300 ( 0.000 0.830 -0.000) 0.830 11.353 ( 0.000 1.020 -0.000) 1.020 11.406 ( -0.000 -3.572 0.000) 3.572 11.476 ( -0.000 -7.344 0.000) 7.344 11.624 ( 0.000 11.296 -0.000) 11.296 11.918 ( 0.000 3.967 -0.000) 3.967 11.967 ( 0.000 7.299 -0.000) 7.299 12.109 ( -0.000 -0.375 0.000) 0.375 12.246 ( -0.000 -5.476 0.000) 5.476 12.512 ( -0.000 -0.590 0.000) 0.590 12.822 ( -0.000 -10.167 0.000) 10.167 12.879 ( -0.000 -11.040 0.000) 11.040 14.630 ( 0.000 3.893 -0.000) 3.893 14.828 ( 0.000 4.387 -0.000) 4.387 14.916 ( -0.000 -0.326 0.000) 0.326 15.086 ( -0.000 -3.294 0.000) 3.294 15.199 ( -0.000 -4.295 0.000) 4.295 15.298 ( 0.000 5.728 -0.000) 5.728 15.448 ( 0.000 4.095 -0.000) 4.095 15.609 ( -0.000 -9.255 0.000) 9.255 15.683 ( -0.000 -2.201 0.000) 2.201 15.748 ( -0.000 -0.322 0.000) 0.322 16.004 ( -0.000 -2.409 0.000) 2.409 16.549 ( -0.000 -0.221 0.000) 0.221 16.807 ( 0.000 8.285 -0.000) 8.285 17.020 ( 0.000 5.978 -0.000) 5.978 17.508 ( -0.000 -1.849 0.000) 1.849 17.699 ( -0.000 -7.723 0.000) 7.723 25.531 ( 0.000 1.714 -0.000) 1.714 25.642 ( 0.000 3.257 -0.000) 3.257 25.680 ( 0.000 3.172 -0.000) 3.172 25.716 ( -0.000 -1.305 0.000) 1.305 25.808 ( -0.000 -1.923 0.000) 1.923 26.316 ( -0.000 -1.253 0.000) 1.253 26.363 ( -0.000 -0.280 0.000) 0.280 26.461 ( -0.000 -1.166 0.000) 1.166 26.941 ( 0.000 5.751 -0.000) 5.751 27.182 ( -0.000 -8.283 0.000) 8.283 27.894 ( -0.000 -2.124 0.000) 2.124 28.236 ( -0.000 -5.376 0.000) 5.376 28.537 ( -0.000 -1.793 0.000) 1.793 28.821 ( -0.000 -9.785 0.000) 9.785 29.001 ( 0.000 13.743 -0.000) 13.743 29.307 ( 0.000 9.752 -0.000) 9.752 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 9.585 -0.000 16.770) 19.316 1.824 ( -3.044 0.000 12.177) 12.552 2.096 ( -8.181 0.000 -3.305) 8.824 2.114 ( 36.652 -0.000 4.679) 36.949 2.316 ( 1.114 -0.000 -3.262) 3.447 2.743 ( -9.225 0.000 7.360) 11.802 3.083 ( 6.380 -0.000 1.218) 6.495 3.149 ( -3.692 0.000 4.675) 5.957 3.351 ( 7.050 -0.000 8.360) 10.936 3.765 ( 5.110 -0.000 -7.937) 9.440 3.830 ( 4.800 -0.000 -14.185) 14.975 3.847 ( 2.523 -0.000 21.241) 21.390 4.088 ( -17.952 0.000 -7.131) 19.316 4.115 ( 3.101 -0.000 -2.852) 4.213 4.442 ( -6.134 0.000 0.107) 6.135 4.447 ( 6.853 -0.000 0.717) 6.891 4.747 ( 11.430 -0.000 -3.400) 11.925 4.858 ( -4.891 0.000 6.628) 8.237 4.943 ( -6.468 0.000 -10.409) 12.255 5.321 ( -13.266 0.000 -9.579) 16.363 5.485 ( 6.878 -0.000 9.875) 12.034 5.548 ( -5.096 0.000 10.478) 11.652 5.807 ( -1.395 0.000 -4.298) 4.518 6.013 ( 2.939 -0.000 3.923) 4.902 6.084 ( -2.300 0.000 6.336) 6.740 6.091 ( -8.657 0.000 -3.393) 9.298 6.233 ( 4.499 -0.000 4.859) 6.623 6.440 ( 1.867 -0.000 -3.038) 3.566 6.583 ( -2.278 0.000 -2.949) 3.726 6.631 ( -4.288 0.000 2.191) 4.816 6.648 ( 8.773 -0.000 -2.079) 9.016 6.947 ( -8.246 0.000 -3.160) 8.831 6.968 ( 8.829 -0.000 -13.742) 16.334 7.269 ( 4.000 -0.000 8.835) 9.698 7.346 ( -4.495 0.000 -1.046) 4.615 7.591 ( 5.234 -0.000 -7.042) 8.774 7.740 ( -7.665 0.000 -8.482) 11.433 7.773 ( -16.136 0.000 -3.183) 16.447 7.881 ( 3.453 -0.000 1.876) 3.930 8.143 ( 10.034 -0.000 1.384) 10.129 8.610 ( -1.618 0.000 -0.714) 1.768 8.839 ( -7.141 0.000 -4.650) 8.521 8.883 ( -1.818 0.000 3.128) 3.618 9.035 ( -2.356 0.000 0.810) 2.491 9.262 ( -2.131 0.000 1.728) 2.744 9.616 ( 4.349 -0.000 1.050) 4.474 9.790 ( 2.406 -0.000 2.184) 3.249 9.956 ( 0.957 -0.000 1.698) 1.949 10.202 ( -4.931 0.000 -2.496) 5.527 10.402 ( 2.510 -0.000 11.420) 11.693 10.566 ( 3.571 -0.000 3.850) 5.250 10.821 ( 3.354 -0.000 -0.679) 3.422 11.031 ( 3.404 -0.000 -12.094) 12.564 11.311 ( 6.058 -0.000 7.847) 9.913 11.434 ( -3.584 0.000 1.360) 3.833 11.550 ( 2.706 -0.000 -1.565) 3.126 11.757 ( -1.962 0.000 2.953) 3.545 11.895 ( 5.507 -0.000 6.185) 8.281 11.906 ( -6.886 0.000 -4.709) 8.342 12.134 ( -0.382 0.000 5.777) 5.790 12.177 ( -7.677 0.000 5.859) 9.657 12.396 ( -9.295 0.000 4.303) 10.243 12.882 ( -3.362 0.000 -5.113) 6.120 13.299 ( 0.346 -0.000 4.250) 4.264 14.652 ( -0.959 0.000 2.102) 2.310 14.773 ( 2.125 -0.000 -1.935) 2.874 14.850 ( -6.342 0.000 -4.227) 7.622 15.037 ( 3.080 -0.000 1.634) 3.487 15.377 ( 2.309 -0.000 -2.806) 3.634 15.520 ( -7.232 0.000 3.630) 8.092 15.609 ( -0.334 0.000 3.938) 3.953 15.652 ( 5.106 -0.000 -4.854) 7.045 15.794 ( -9.759 0.000 3.759) 10.458 15.917 ( 10.981 -0.000 -10.506) 15.197 16.084 ( -1.979 0.000 5.659) 5.996 16.239 ( -1.338 0.000 -4.256) 4.461 17.026 ( 13.786 -0.000 -2.676) 14.043 17.465 ( -4.346 0.000 1.453) 4.583 17.488 ( -0.590 0.000 2.985) 3.043 17.763 ( 5.685 -0.000 -16.868) 17.800 25.519 ( 1.612 -0.000 -1.185) 2.001 25.566 ( 1.760 -0.000 0.403) 1.805 25.575 ( -0.587 0.000 2.309) 2.382 25.687 ( -1.420 0.000 0.767) 1.614 25.891 ( -0.088 0.000 6.285) 6.286 26.161 ( -3.066 0.000 0.696) 3.144 26.318 ( 4.812 -0.000 1.669) 5.093 26.407 ( 0.228 -0.000 -1.702) 1.717 26.846 ( -3.337 0.000 8.455) 9.090 27.307 ( 6.207 -0.000 10.939) 12.577 27.571 ( -0.492 0.000 -8.861) 8.874 28.031 ( -1.809 0.000 -1.623) 2.430 28.168 ( -4.767 0.000 -2.894) 5.577 28.303 ( -6.942 0.000 -5.146) 8.641 29.088 ( 5.671 -0.000 -5.774) 8.093 30.804 ( 2.995 -0.000 -2.762) 4.075 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -2.270 -3.870 11.299) 12.157 2.018 ( 3.022 -12.407 -3.691) 13.293 2.323 ( -5.237 -25.704 3.816) 26.508 2.400 ( 28.225 -2.019 5.900) 28.905 2.512 ( 5.948 -17.183 6.818) 19.419 2.780 ( -2.274 -6.847 4.621) 8.568 3.146 ( 2.505 -3.512 1.280) 4.499 3.219 ( -1.357 -7.513 3.737) 8.500 3.319 ( -12.872 0.890 -0.305) 12.907 3.688 ( 0.443 -0.807 -16.968) 16.993 3.857 ( 7.446 -1.248 2.397) 7.921 3.940 ( -12.979 -0.768 -4.839) 13.873 4.113 ( 0.304 0.337 17.740) 17.746 4.185 ( 2.583 -6.505 -3.424) 7.792 4.292 ( -1.284 2.250 -3.312) 4.205 4.524 ( -0.980 -4.823 -5.284) 7.221 4.724 ( -3.492 10.574 -4.343) 11.953 4.833 ( 3.327 -2.805 3.421) 5.535 5.008 ( 16.491 -6.233 5.158) 18.369 5.187 ( -10.161 -1.766 -8.223) 13.190 5.502 ( -1.068 4.697 4.882) 6.858 5.578 ( 6.199 2.371 10.192) 12.163 5.861 ( -2.295 -6.085 4.124) 7.700 5.966 ( -0.856 7.079 -0.204) 7.134 6.029 ( -6.315 -4.202 -4.166) 8.654 6.136 ( -0.334 -3.220 2.749) 4.247 6.282 ( 4.614 1.103 2.391) 5.312 6.482 ( -2.214 -3.449 -1.719) 4.445 6.511 ( -3.917 -0.536 -4.797) 6.216 6.579 ( -6.028 1.822 1.495) 6.472 6.678 ( 3.823 4.081 -3.028) 6.359 6.814 ( 2.523 5.820 -0.596) 6.371 7.034 ( 5.417 -2.166 -10.884) 12.349 7.185 ( -3.238 11.085 -0.051) 11.548 7.298 ( -1.345 4.324 2.102) 4.992 7.584 ( -9.146 1.227 -2.738) 9.626 7.610 ( 3.925 -1.769 -6.053) 7.428 7.761 ( -7.552 -7.197 0.854) 10.467 7.951 ( 3.109 -2.209 0.895) 3.918 8.150 ( 6.770 5.813 0.467) 8.935 8.582 ( -2.724 1.131 -1.326) 3.234 8.825 ( -4.093 -5.778 -2.806) 7.617 8.891 ( -1.795 -0.693 3.021) 3.582 9.067 ( -0.866 -4.286 0.038) 4.373 9.294 ( -0.633 -3.934 1.400) 4.224 9.559 ( 2.001 7.505 -0.991) 7.830 9.823 ( 2.270 1.763 3.944) 4.880 9.952 ( 0.604 1.889 0.041) 1.984 10.137 ( -1.540 -1.394 -0.074) 2.079 10.539 ( 3.572 -2.641 3.516) 5.666 10.657 ( 0.490 -4.946 6.837) 8.453 10.917 ( -0.207 -6.634 1.321) 6.767 10.999 ( 3.210 -4.098 -14.560) 15.463 11.422 ( -0.781 -2.034 2.405) 3.245 11.456 ( 3.312 -5.416 4.290) 7.662 11.586 ( 4.152 -1.422 0.918) 4.484 11.742 ( 0.569 1.324 -1.413) 2.018 11.769 ( -5.740 5.631 -1.387) 8.160 12.004 ( 3.925 -3.618 0.933) 5.419 12.096 ( -1.857 3.656 6.533) 7.713 12.219 ( -6.621 -5.102 7.314) 11.107 12.385 ( -4.278 -2.205 3.022) 5.683 12.768 ( -6.611 5.165 -7.255) 11.092 13.255 ( 0.579 8.166 3.608) 8.946 14.628 ( -0.039 1.704 2.915) 3.377 14.758 ( -3.000 2.668 -3.744) 5.490 14.827 ( 1.054 -4.198 -2.240) 4.874 15.111 ( 2.766 -3.184 1.192) 4.383 15.259 ( -0.691 9.345 -1.421) 9.477 15.509 ( -5.657 -2.134 1.939) 6.349 15.610 ( 0.875 2.784 3.535) 4.584 15.638 ( 5.679 3.700 -3.092) 7.450 15.753 ( -7.788 -0.019 2.748) 8.259 15.932 ( 6.854 1.332 -7.883) 10.530 16.044 ( -2.184 4.124 1.670) 4.956 16.290 ( -0.173 -6.703 -0.560) 6.728 17.102 ( 13.498 2.193 -1.856) 13.800 17.381 ( -2.278 4.211 2.451) 5.379 17.528 ( -1.565 -2.172 1.540) 3.089 17.668 ( -0.205 6.269 -10.900) 12.576 25.530 ( 1.159 -0.857 -0.851) 1.674 25.577 ( -0.064 -0.710 0.409) 0.822 25.616 ( 1.234 -2.560 1.429) 3.181 25.684 ( -1.292 -0.467 0.621) 1.507 25.904 ( 0.100 1.693 4.546) 4.852 26.162 ( -2.515 -2.355 -0.634) 3.503 26.361 ( 2.281 -0.027 1.469) 2.713 26.410 ( 1.561 -0.679 -1.561) 2.310 26.857 ( -1.725 0.325 6.798) 7.021 27.371 ( 6.498 3.610 8.866) 11.570 27.624 ( -1.560 -8.783 -5.073) 10.262 27.970 ( -5.788 1.558 -6.494) 8.838 28.142 ( -4.312 -5.297 -3.616) 7.729 28.298 ( -2.728 -4.928 -1.578) 5.850 29.105 ( 4.709 0.207 -2.847) 5.506 30.681 ( 3.130 15.203 -0.455) 15.528 ======================= Grid point 32 (22/140) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 2.133 -10.120 1.560) 10.459 2.270 ( -2.357 -15.020 2.393) 15.391 2.549 ( 10.772 1.110 0.574) 10.845 2.672 ( 3.334 -9.660 4.304) 11.088 2.946 ( -2.190 -20.512 1.696) 20.699 3.030 ( 7.563 -20.601 7.556) 23.210 3.191 ( -11.581 -5.058 2.053) 12.803 3.272 ( -0.906 -9.436 -3.630) 10.150 3.410 ( 1.078 -10.491 3.205) 11.023 3.682 ( 0.885 -5.502 -12.103) 13.324 3.850 ( -5.652 -1.021 -2.813) 6.395 3.920 ( 0.627 3.792 -0.935) 3.956 4.079 ( -2.728 3.324 10.868) 11.688 4.152 ( -2.854 -0.584 0.779) 3.016 4.280 ( -0.824 3.748 -10.702) 11.369 4.537 ( -1.257 7.382 -0.447) 7.502 4.685 ( 3.606 -13.578 1.475) 14.126 4.887 ( -1.549 -1.476 0.494) 2.196 5.076 ( -6.689 -2.671 -6.797) 9.903 5.381 ( 9.522 -3.555 3.427) 10.726 5.496 ( 7.570 -1.943 6.957) 10.463 5.638 ( 10.061 -1.335 9.947) 14.211 5.843 ( -0.310 5.443 -1.305) 5.606 5.942 ( -0.438 -2.421 1.822) 3.062 6.037 ( -2.434 -1.381 -0.439) 2.833 6.216 ( 0.898 -5.925 -0.916) 6.062 6.276 ( 2.794 3.409 -0.082) 4.409 6.391 ( -10.394 1.520 -2.147) 10.722 6.490 ( -5.900 3.401 -3.835) 7.816 6.549 ( -0.735 6.016 -2.912) 6.724 6.620 ( -1.105 -8.795 2.289) 9.155 6.796 ( 4.264 2.925 3.828) 6.433 6.932 ( -1.944 6.424 -8.279) 10.658 7.069 ( 1.000 1.379 -2.759) 3.243 7.192 ( -2.836 6.003 -0.635) 6.669 7.530 ( -0.857 0.422 0.093) 0.959 7.642 ( 1.809 -1.520 -2.667) 3.563 7.854 ( -0.667 -5.339 2.796) 6.063 8.001 ( 0.322 -1.933 1.451) 2.438 8.116 ( 1.427 1.164 -0.931) 2.063 8.532 ( -2.463 1.277 -0.794) 2.886 8.864 ( -0.987 -1.508 -1.131) 2.128 8.954 ( -0.505 -7.093 1.277) 7.225 9.129 ( -0.048 -2.691 -0.205) 2.699 9.363 ( -0.078 -1.073 0.374) 1.139 9.455 ( -0.277 1.870 -1.221) 2.251 9.767 ( 0.639 8.021 1.567) 8.198 9.960 ( 0.223 -3.826 -0.680) 3.892 10.175 ( 0.085 -1.377 0.314) 1.415 10.608 ( 1.475 -2.872 1.875) 3.734 10.756 ( 3.262 -0.983 7.689) 8.410 10.896 ( -3.430 -0.430 -8.447) 9.127 11.154 ( 3.856 -8.067 -2.195) 9.206 11.443 ( -1.400 -1.127 1.015) 2.064 11.545 ( 1.603 4.328 -0.775) 4.680 11.595 ( -2.159 2.518 -1.202) 3.528 11.664 ( -1.513 -2.310 2.401) 3.660 11.830 ( 6.767 -9.200 -1.014) 11.466 12.054 ( -2.243 3.298 5.369) 6.688 12.063 ( 2.534 -0.423 -0.765) 2.681 12.316 ( -5.710 -8.112 6.021) 11.604 12.421 ( 1.798 -1.334 2.092) 3.064 12.574 ( -7.118 5.359 -7.189) 11.449 13.073 ( -0.906 14.899 1.988) 15.058 14.647 ( -0.116 -1.897 3.515) 3.996 14.709 ( -0.102 -0.650 -3.303) 3.368 14.882 ( 0.312 -2.042 -1.178) 2.378 15.061 ( 0.923 6.843 -0.225) 6.909 15.227 ( 1.045 -2.207 0.150) 2.447 15.510 ( -2.948 -0.969 1.360) 3.388 15.571 ( 2.270 3.739 2.036) 4.824 15.597 ( 3.267 4.618 -1.058) 5.755 15.675 ( -7.081 3.300 0.332) 7.820 15.901 ( 2.317 3.168 -3.800) 5.463 15.973 ( -0.851 2.727 0.206) 2.864 16.401 ( 0.129 -6.087 0.276) 6.095 17.152 ( 12.524 3.942 1.462) 13.211 17.320 ( -1.728 2.842 2.355) 4.075 17.467 ( -5.241 8.559 -7.796) 12.709 17.556 ( -0.892 -1.632 0.691) 1.984 25.556 ( 0.707 -1.312 -0.123) 1.496 25.597 ( -0.050 -1.822 -0.164) 1.830 25.676 ( 0.889 -2.898 0.698) 3.111 25.686 ( -1.028 -0.454 0.494) 1.228 25.880 ( 0.055 3.148 2.034) 3.748 26.189 ( -1.443 -3.110 -0.350) 3.446 26.362 ( -0.464 -0.156 -1.394) 1.477 26.434 ( 2.522 0.128 0.269) 2.539 26.890 ( -0.176 -1.985 4.965) 5.350 27.351 ( 3.724 8.606 3.812) 10.123 27.711 ( -2.148 -5.621 -2.650) 6.575 27.930 ( -4.560 -6.805 -6.006) 10.157 28.236 ( -1.333 -9.218 -1.127) 9.382 28.374 ( -1.519 -6.255 -0.207) 6.440 29.127 ( 2.555 -0.383 -0.483) 2.629 30.380 ( 2.606 23.135 0.710) 23.292 ======================= Grid point 33 (23/140) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 1.225 -0.000) 1.225 2.481 ( -0.000 -12.538 0.000) 12.538 2.590 ( 0.000 0.024 -0.000) 0.024 2.727 ( -0.000 -1.016 0.000) 1.016 3.177 ( -0.000 -11.905 0.000) 11.905 3.352 ( -0.000 -5.171 0.000) 5.171 3.393 ( -0.000 -14.276 0.000) 14.276 3.509 ( -0.000 -24.108 0.000) 24.108 3.524 ( -0.000 -1.936 0.000) 1.936 3.708 ( 0.000 13.034 -0.000) 13.034 3.765 ( -0.000 -7.208 0.000) 7.208 3.951 ( -0.000 -8.518 0.000) 8.518 4.019 ( 0.000 2.706 -0.000) 2.706 4.191 ( -0.000 -0.294 0.000) 0.294 4.274 ( -0.000 -7.628 0.000) 7.628 4.412 ( 0.000 6.725 -0.000) 6.725 4.846 ( -0.000 -1.051 0.000) 1.051 4.881 ( 0.000 1.299 -0.000) 1.299 5.150 ( -0.000 -12.786 0.000) 12.786 5.388 ( 0.000 2.705 -0.000) 2.705 5.485 ( 0.000 7.473 -0.000) 7.473 5.746 ( -0.000 -0.533 0.000) 0.533 5.798 ( 0.000 6.786 -0.000) 6.786 5.973 ( 0.000 5.138 -0.000) 5.138 6.088 ( -0.000 -6.773 0.000) 6.773 6.248 ( 0.000 4.475 -0.000) 4.475 6.261 ( -0.000 -1.536 0.000) 1.536 6.349 ( 0.000 0.279 -0.000) 0.279 6.403 ( -0.000 -7.390 0.000) 7.390 6.488 ( -0.000 -0.416 0.000) 0.416 6.751 ( 0.000 4.238 -0.000) 4.238 6.785 ( -0.000 -9.992 0.000) 9.992 6.883 ( -0.000 -0.499 0.000) 0.499 7.060 ( -0.000 -1.140 0.000) 1.140 7.094 ( 0.000 1.695 -0.000) 1.695 7.538 ( -0.000 -1.393 0.000) 1.393 7.643 ( 0.000 2.349 -0.000) 2.349 7.922 ( -0.000 -2.204 0.000) 2.204 8.038 ( -0.000 -1.830 0.000) 1.830 8.147 ( -0.000 -4.816 0.000) 4.816 8.509 ( -0.000 -0.266 0.000) 0.266 8.895 ( -0.000 -3.638 0.000) 3.638 9.074 ( -0.000 -6.270 0.000) 6.270 9.147 ( -0.000 -0.357 0.000) 0.357 9.284 ( 0.000 6.116 -0.000) 6.116 9.537 ( -0.000 -7.780 0.000) 7.780 9.611 ( 0.000 10.828 -0.000) 10.828 10.051 ( -0.000 -6.122 0.000) 6.122 10.155 ( 0.000 3.841 -0.000) 3.841 10.672 ( -0.000 -2.687 0.000) 2.687 10.781 ( 0.000 2.542 -0.000) 2.542 10.882 ( -0.000 -2.816 0.000) 2.816 11.248 ( -0.000 -3.182 0.000) 3.182 11.424 ( 0.000 6.889 -0.000) 6.889 11.444 ( 0.000 0.918 -0.000) 0.918 11.488 ( 0.000 7.081 -0.000) 7.081 11.793 ( -0.000 -8.338 0.000) 8.338 11.976 ( -0.000 -0.858 0.000) 0.858 12.005 ( 0.000 2.677 -0.000) 2.677 12.058 ( 0.000 0.671 -0.000) 0.671 12.410 ( 0.000 1.722 -0.000) 1.722 12.434 ( -0.000 -5.867 0.000) 5.867 12.550 ( -0.000 -6.049 0.000) 6.049 12.811 ( 0.000 13.670 -0.000) 13.670 14.691 ( -0.000 -1.435 0.000) 1.435 14.749 ( -0.000 -4.564 0.000) 4.564 14.865 ( 0.000 1.676 -0.000) 1.676 15.054 ( -0.000 -4.399 0.000) 4.399 15.215 ( 0.000 4.738 -0.000) 4.738 15.499 ( 0.000 1.637 -0.000) 1.637 15.513 ( 0.000 5.809 -0.000) 5.809 15.553 ( 0.000 3.288 -0.000) 3.288 15.596 ( -0.000 -0.987 0.000) 0.987 15.838 ( 0.000 3.974 -0.000) 3.974 15.950 ( -0.000 -0.020 0.000) 0.020 16.486 ( -0.000 -3.853 0.000) 3.853 17.107 ( 0.000 9.088 -0.000) 9.088 17.252 ( 0.000 8.564 -0.000) 8.564 17.352 ( -0.000 -4.608 0.000) 4.608 17.579 ( -0.000 -1.461 0.000) 1.461 25.570 ( 0.000 0.033 -0.000) 0.033 25.637 ( -0.000 -2.833 0.000) 2.833 25.686 ( 0.000 0.131 -0.000) 0.131 25.728 ( -0.000 -2.709 0.000) 2.709 25.822 ( 0.000 4.271 -0.000) 4.271 26.237 ( -0.000 -3.251 0.000) 3.251 26.362 ( -0.000 -0.532 0.000) 0.532 26.436 ( 0.000 0.600 -0.000) 0.600 26.963 ( -0.000 -4.869 0.000) 4.869 27.202 ( 0.000 10.236 -0.000) 10.236 27.784 ( -0.000 -4.833 0.000) 4.833 28.025 ( -0.000 -7.454 0.000) 7.454 28.385 ( -0.000 -8.464 0.000) 8.464 28.485 ( -0.000 -8.569 0.000) 8.569 29.145 ( -0.000 -0.370 0.000) 0.370 29.983 ( 0.000 25.601 -0.000) 25.601 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -4.554 0.000 11.317) 12.199 1.911 ( 0.658 -0.000 4.176) 4.228 1.967 ( 0.471 -0.000 -9.015) 9.027 2.360 ( -0.154 0.000 3.551) 3.554 2.680 ( 29.589 -0.000 4.378) 29.911 2.738 ( 1.657 -0.000 2.507) 3.005 3.125 ( -12.076 0.000 -1.460) 12.164 3.148 ( -2.010 0.000 2.917) 3.542 3.231 ( -6.313 0.000 1.313) 6.448 3.602 ( -0.202 0.000 -10.991) 10.993 3.810 ( -8.038 0.000 -3.451) 8.747 4.030 ( 13.200 -0.000 4.146) 13.836 4.102 ( 6.534 -0.000 -1.925) 6.812 4.214 ( -1.043 0.000 23.334) 23.357 4.279 ( -12.056 0.000 -3.683) 12.606 4.402 ( 0.584 -0.000 -15.868) 15.879 4.723 ( -5.391 0.000 -6.214) 8.227 4.852 ( -0.550 0.000 0.750) 0.930 5.056 ( -8.349 0.000 -3.909) 9.219 5.179 ( 28.439 -0.000 9.087) 29.855 5.560 ( -9.249 0.000 7.119) 11.672 5.699 ( 4.658 -0.000 6.007) 7.602 5.800 ( 2.550 -0.000 4.270) 4.973 5.865 ( -9.452 0.000 -7.172) 11.865 6.053 ( -3.790 0.000 -2.850) 4.742 6.069 ( 0.131 -0.000 0.937) 0.946 6.339 ( 5.279 -0.000 -0.472) 5.300 6.431 ( -7.258 0.000 -2.563) 7.697 6.451 ( 1.985 -0.000 -1.756) 2.650 6.554 ( -5.336 0.000 0.456) 5.355 6.763 ( 4.642 -0.000 -0.100) 4.643 6.839 ( -2.448 0.000 -1.789) 3.032 7.093 ( 13.912 -0.000 -3.185) 14.272 7.277 ( -3.833 0.000 0.801) 3.916 7.386 ( 2.120 -0.000 5.337) 5.743 7.492 ( -12.064 0.000 -4.495) 12.875 7.526 ( -3.627 0.000 -7.835) 8.634 7.618 ( -1.635 0.000 1.528) 2.238 7.969 ( 3.604 -0.000 0.503) 3.638 8.271 ( 4.275 -0.000 0.547) 4.310 8.585 ( -0.565 0.000 -0.616) 0.835 8.713 ( -3.852 0.000 -1.744) 4.228 8.894 ( -0.737 0.000 2.133) 2.257 9.017 ( -0.625 0.000 0.066) 0.628 9.259 ( -0.521 0.000 1.011) 1.137 9.666 ( 1.497 -0.000 0.112) 1.501 9.873 ( 4.819 -0.000 2.443) 5.403 9.983 ( 0.651 -0.000 0.651) 0.921 10.080 ( -5.951 0.000 -3.038) 6.682 10.549 ( 3.745 -0.000 7.341) 8.241 10.619 ( -1.296 0.000 2.113) 2.479 10.849 ( 1.008 -0.000 -0.259) 1.041 10.937 ( 0.455 -0.000 -9.126) 9.137 11.398 ( -1.523 0.000 0.133) 1.529 11.486 ( 5.620 -0.000 4.536) 7.223 11.603 ( 3.780 -0.000 1.085) 3.932 11.745 ( -1.697 0.000 -3.572) 3.955 11.775 ( -3.852 0.000 0.357) 3.869 12.002 ( 4.280 -0.000 0.460) 4.304 12.124 ( -8.369 0.000 4.281) 9.401 12.132 ( -2.991 0.000 2.209) 3.718 12.418 ( 5.415 -0.000 6.643) 8.570 12.722 ( -6.988 0.000 -7.660) 10.368 13.345 ( 0.859 -0.000 1.862) 2.051 14.652 ( -0.890 0.000 0.942) 1.296 14.754 ( -1.915 0.000 -1.850) 2.663 14.787 ( 1.258 -0.000 -1.000) 1.607 15.097 ( 2.751 -0.000 0.638) 2.824 15.362 ( 0.199 -0.000 -2.088) 2.098 15.418 ( -6.798 0.000 1.744) 7.018 15.649 ( 0.228 -0.000 2.513) 2.524 15.698 ( 4.776 -0.000 -4.538) 6.588 15.725 ( -3.972 0.000 3.971) 5.616 15.958 ( 3.874 -0.000 -4.177) 5.697 16.106 ( -0.402 0.000 2.111) 2.149 16.199 ( -0.396 0.000 -1.352) 1.409 17.208 ( 12.940 -0.000 -2.772) 13.234 17.371 ( -9.790 0.000 2.167) 10.027 17.506 ( -0.174 0.000 1.591) 1.600 17.703 ( 1.289 -0.000 -5.751) 5.894 25.521 ( 0.247 -0.000 -0.641) 0.687 25.590 ( 0.914 -0.000 0.088) 0.918 25.592 ( 0.184 -0.000 0.921) 0.939 25.675 ( -0.742 0.000 0.359) 0.825 25.938 ( 0.052 -0.000 2.763) 2.763 26.125 ( -1.130 0.000 -0.322) 1.175 26.394 ( 2.014 -0.000 1.376) 2.439 26.397 ( 0.151 -0.000 -0.823) 0.837 26.872 ( -1.028 0.000 3.343) 3.497 27.494 ( -0.352 0.000 -4.266) 4.281 27.519 ( 6.081 -0.000 10.101) 11.791 27.963 ( -8.272 0.000 -9.264) 12.419 28.002 ( -0.644 0.000 -0.441) 0.781 28.238 ( -0.523 0.000 -0.503) 0.725 29.123 ( 2.606 -0.000 -1.570) 3.042 30.818 ( 0.862 -0.000 -0.596) 1.048 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -0.000 -2.988 0.000) 2.988 2.027 ( -0.000 -13.649 0.000) 13.649 2.294 ( -0.000 -24.545 0.000) 24.545 2.542 ( -0.000 -18.745 0.000) 18.745 2.783 ( -0.000 -4.079 0.000) 4.079 2.869 ( -0.000 -0.191 0.000) 0.191 3.035 ( -0.000 -4.666 0.000) 4.666 3.157 ( -0.000 -2.699 0.000) 2.699 3.284 ( -0.000 -6.870 0.000) 6.870 3.586 ( -0.000 -1.954 0.000) 1.954 3.784 ( -0.000 -1.494 0.000) 1.494 4.033 ( 0.000 1.018 -0.000) 1.018 4.076 ( 0.000 8.962 -0.000) 8.962 4.230 ( -0.000 -1.986 0.000) 1.986 4.294 ( 0.000 4.647 -0.000) 4.647 4.450 ( -0.000 -14.367 0.000) 14.367 4.659 ( 0.000 5.677 -0.000) 5.677 4.832 ( -0.000 -1.374 0.000) 1.374 5.019 ( -0.000 -0.554 0.000) 0.554 5.413 ( -0.000 -2.079 0.000) 2.079 5.526 ( -0.000 -3.707 0.000) 3.707 5.662 ( -0.000 -0.176 0.000) 0.176 5.809 ( 0.000 2.303 -0.000) 2.303 5.932 ( -0.000 -8.473 0.000) 8.473 5.988 ( 0.000 3.523 -0.000) 3.523 6.116 ( -0.000 -4.719 0.000) 4.719 6.350 ( 0.000 1.964 -0.000) 1.964 6.375 ( 0.000 1.993 -0.000) 1.993 6.498 ( -0.000 -5.146 0.000) 5.146 6.517 ( 0.000 1.782 -0.000) 1.782 6.680 ( 0.000 9.084 -0.000) 9.084 6.853 ( -0.000 -0.729 0.000) 0.729 7.075 ( 0.000 15.299 -0.000) 15.299 7.123 ( 0.000 3.276 -0.000) 3.276 7.278 ( 0.000 5.268 -0.000) 5.268 7.507 ( -0.000 -1.818 0.000) 1.818 7.603 ( -0.000 -3.264 0.000) 3.264 7.703 ( -0.000 -11.732 0.000) 11.732 7.986 ( -0.000 -0.407 0.000) 0.407 8.212 ( 0.000 7.341 -0.000) 7.341 8.550 ( 0.000 2.226 -0.000) 2.226 8.778 ( -0.000 -7.706 0.000) 7.706 8.893 ( -0.000 -0.070 0.000) 0.070 9.061 ( -0.000 -4.588 0.000) 4.588 9.298 ( -0.000 -4.101 0.000) 4.101 9.570 ( 0.000 8.983 -0.000) 8.983 9.902 ( 0.000 6.828 -0.000) 6.828 9.916 ( -0.000 -1.102 0.000) 1.102 10.116 ( -0.000 -5.095 0.000) 5.095 10.597 ( -0.000 -0.150 0.000) 0.150 10.715 ( -0.000 -8.158 0.000) 8.158 10.888 ( 0.000 2.860 -0.000) 2.860 10.956 ( -0.000 -12.857 0.000) 12.857 11.411 ( -0.000 -1.885 0.000) 1.885 11.527 ( -0.000 -1.796 0.000) 1.796 11.664 ( -0.000 -2.570 0.000) 2.570 11.666 ( 0.000 5.523 -0.000) 5.523 11.757 ( -0.000 -0.544 0.000) 0.544 12.067 ( -0.000 -1.897 0.000) 1.897 12.089 ( 0.000 0.543 -0.000) 0.543 12.155 ( -0.000 -5.583 0.000) 5.583 12.467 ( 0.000 0.171 -0.000) 0.171 12.611 ( 0.000 5.992 -0.000) 5.992 13.281 ( 0.000 8.683 -0.000) 8.683 14.642 ( 0.000 0.361 -0.000) 0.361 14.715 ( 0.000 2.245 -0.000) 2.245 14.825 ( -0.000 -3.494 0.000) 3.494 15.159 ( -0.000 -4.866 0.000) 4.866 15.226 ( 0.000 10.393 -0.000) 10.393 15.462 ( -0.000 -3.458 0.000) 3.458 15.637 ( 0.000 2.395 -0.000) 2.395 15.683 ( 0.000 2.458 -0.000) 2.458 15.697 ( 0.000 2.959 -0.000) 2.959 15.946 ( 0.000 1.967 -0.000) 1.967 16.036 ( 0.000 5.088 -0.000) 5.088 16.288 ( -0.000 -7.369 0.000) 7.369 17.269 ( 0.000 1.225 -0.000) 1.225 17.302 ( 0.000 0.849 -0.000) 0.849 17.526 ( -0.000 -1.656 0.000) 1.656 17.611 ( 0.000 9.263 -0.000) 9.263 25.533 ( -0.000 -1.376 0.000) 1.376 25.580 ( -0.000 -0.066 0.000) 0.066 25.633 ( -0.000 -2.780 0.000) 2.780 25.676 ( -0.000 -0.384 0.000) 0.384 25.929 ( 0.000 1.876 -0.000) 1.876 26.139 ( -0.000 -2.077 0.000) 2.077 26.369 ( 0.000 1.418 -0.000) 1.418 26.434 ( -0.000 -1.523 0.000) 1.523 26.879 ( -0.000 -0.472 0.000) 0.472 27.484 ( 0.000 1.868 -0.000) 1.868 27.611 ( -0.000 -4.004 0.000) 4.004 27.835 ( 0.000 1.779 -0.000) 1.779 28.091 ( -0.000 -7.368 0.000) 7.368 28.275 ( -0.000 -4.506 0.000) 4.506 29.131 ( -0.000 -0.121 0.000) 0.121 30.702 ( 0.000 13.714 -0.000) 13.714 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 9.417 -0.000 34.025) 35.304 0.751 ( -23.951 0.000 38.630) 45.453 1.227 ( 21.555 -0.000 62.199) 65.828 1.793 ( 1.086 -0.000 7.392) 7.472 2.544 ( -0.410 0.000 -2.974) 3.002 2.788 ( -5.536 0.000 11.613) 12.865 3.064 ( -5.374 0.000 -17.719) 18.517 3.104 ( 15.081 -0.000 -10.343) 18.287 3.322 ( -10.231 0.000 -2.161) 10.457 3.397 ( -3.462 0.000 6.714) 7.554 3.741 ( 0.479 -0.000 6.181) 6.200 4.074 ( 4.897 -0.000 7.355) 8.836 4.176 ( -1.868 0.000 -17.042) 17.144 4.265 ( -5.676 0.000 -0.453) 5.694 4.368 ( 1.743 -0.000 -0.578) 1.836 4.696 ( -1.396 0.000 -8.632) 8.744 4.864 ( -6.194 0.000 -5.967) 8.600 5.032 ( 1.588 -0.000 16.668) 16.743 5.266 ( 5.420 -0.000 -13.068) 14.147 5.276 ( -1.306 0.000 -7.195) 7.313 5.554 ( 4.550 -0.000 5.732) 7.318 5.626 ( 5.185 -0.000 4.539) 6.891 5.716 ( -2.678 0.000 -7.317) 7.792 5.971 ( 0.045 -0.000 6.552) 6.553 6.076 ( 3.152 -0.000 7.297) 7.949 6.125 ( 5.175 -0.000 4.385) 6.783 6.273 ( -5.099 0.000 5.328) 7.375 6.362 ( 7.665 -0.000 -4.921) 9.109 6.488 ( -2.371 0.000 -3.322) 4.081 6.524 ( -10.564 0.000 -0.529) 10.577 6.607 ( 4.214 -0.000 -4.799) 6.386 6.835 ( 10.568 -0.000 2.708) 10.910 7.234 ( -5.080 0.000 -3.588) 6.219 7.327 ( 0.083 -0.000 -15.172) 15.172 7.377 ( -0.115 0.000 2.074) 2.077 7.444 ( 14.432 -0.000 9.469) 17.261 7.833 ( -9.829 0.000 -6.851) 11.981 7.834 ( -13.219 0.000 -4.052) 13.826 8.057 ( 2.253 -0.000 1.253) 2.578 8.366 ( 1.133 -0.000 -5.432) 5.548 8.650 ( 1.221 -0.000 1.995) 2.338 9.004 ( 0.072 -0.000 -3.686) 3.686 9.089 ( -5.531 0.000 -5.455) 7.769 9.092 ( 2.089 -0.000 5.255) 5.655 9.411 ( 0.557 -0.000 4.019) 4.057 9.457 ( 0.406 -0.000 -3.574) 3.597 9.894 ( -2.021 0.000 1.244) 2.373 9.999 ( 2.439 -0.000 -0.716) 2.542 10.190 ( 4.453 -0.000 3.609) 5.732 10.302 ( 0.245 -0.000 3.029) 3.039 10.325 ( -15.259 0.000 0.721) 15.276 10.647 ( -0.650 0.000 -2.345) 2.433 10.946 ( -2.362 0.000 5.954) 6.405 11.140 ( -0.334 0.000 4.632) 4.644 11.434 ( 9.212 -0.000 -6.174) 11.090 11.608 ( 0.059 -0.000 -1.119) 1.120 11.741 ( -0.244 0.000 1.612) 1.630 11.892 ( 8.128 -0.000 1.403) 8.248 12.125 ( 0.694 -0.000 -9.517) 9.542 12.195 ( -2.495 0.000 -5.106) 5.683 12.528 ( 12.314 -0.000 0.812) 12.341 12.558 ( 25.454 -0.000 2.699) 25.597 12.932 ( -11.509 0.000 19.127) 22.323 13.987 ( -6.754 0.000 -5.442) 8.674 14.808 ( 2.215 -0.000 -2.063) 3.027 14.846 ( 23.859 -0.000 -4.520) 24.284 14.858 ( -2.198 0.000 1.106) 2.461 14.866 ( -17.532 0.000 -0.223) 17.533 15.130 ( 6.497 -0.000 4.519) 7.914 15.363 ( -7.067 0.000 5.459) 8.930 15.507 ( 1.082 -0.000 -5.742) 5.843 15.767 ( -1.241 0.000 -0.167) 1.252 15.976 ( -6.140 0.000 -6.096) 8.652 16.067 ( 14.738 -0.000 -10.294) 17.977 16.409 ( -15.296 0.000 6.769) 16.727 16.412 ( 45.882 -0.000 2.307) 45.940 16.740 ( 1.589 -0.000 3.153) 3.531 16.754 ( -84.139 0.000 4.542) 84.262 17.361 ( 0.672 -0.000 -1.490) 1.635 17.428 ( 3.982 -0.000 -2.745) 4.836 25.449 ( 0.279 -0.000 1.706) 1.729 25.504 ( 0.377 -0.000 0.075) 0.384 25.722 ( 0.026 -0.000 0.894) 0.894 25.748 ( -4.595 0.000 -2.394) 5.181 25.934 ( -7.896 0.000 3.819) 8.771 26.041 ( 3.943 -0.000 1.273) 4.143 26.370 ( -3.282 0.000 -1.566) 3.636 26.422 ( -0.531 0.000 -1.537) 1.626 26.986 ( 3.922 -0.000 2.521) 4.662 27.624 ( -14.082 0.000 -9.059) 16.744 28.072 ( -79.589 0.000 6.517) 79.855 28.145 ( -1.052 0.000 -2.008) 2.267 28.203 ( 1.396 -0.000 -2.541) 2.899 28.445 ( 4.441 -0.000 -0.832) 4.518 29.179 ( 118.669 -0.000 3.159) 118.711 29.245 ( -11.108 0.000 1.334) 11.187 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -2.783 -14.136 29.211) 32.570 1.226 ( 10.337 -27.449 24.940) 38.501 1.852 ( 21.116 -16.345 41.806) 49.607 2.066 ( 7.218 -21.084 16.739) 27.872 2.659 ( -5.913 -14.921 -7.575) 17.748 2.820 ( -11.147 -4.615 -1.181) 12.122 3.027 ( 3.895 -10.807 -3.665) 12.058 3.236 ( 12.906 -7.868 -7.804) 17.011 3.350 ( -10.394 -12.383 0.881) 16.191 3.448 ( -1.614 -6.784 3.546) 7.823 3.818 ( 2.578 -3.417 4.626) 6.302 3.998 ( -0.854 6.856 -11.378) 13.311 4.114 ( 3.227 1.772 6.724) 7.666 4.272 ( -0.647 -4.378 -3.771) 5.815 4.341 ( -4.831 5.036 -0.432) 6.992 4.630 ( -4.362 0.338 -9.871) 10.797 4.781 ( -2.796 0.552 -3.570) 4.568 5.135 ( -2.433 2.127 3.138) 4.504 5.157 ( -4.796 3.423 -1.415) 6.060 5.262 ( 5.489 0.460 -12.373) 13.544 5.582 ( 5.819 10.462 4.149) 12.670 5.618 ( 1.086 -1.040 2.099) 2.582 5.688 ( -2.376 -3.302 2.854) 4.969 5.997 ( -4.147 -0.808 4.925) 6.489 6.123 ( 3.151 1.558 8.526) 9.222 6.159 ( 3.349 1.999 1.304) 4.112 6.259 ( 1.384 2.542 2.763) 4.001 6.414 ( -1.410 0.532 -8.579) 8.710 6.478 ( -9.002 -3.431 0.582) 9.651 6.516 ( 4.191 -9.194 -5.734) 11.618 6.578 ( 2.866 3.800 -2.426) 5.342 6.939 ( 15.109 -0.004 -0.505) 15.118 7.081 ( 1.171 11.447 3.464) 12.017 7.196 ( -7.666 3.418 -8.759) 12.131 7.330 ( 2.188 1.995 1.873) 3.504 7.551 ( 0.569 0.455 -4.014) 4.080 7.710 ( -4.925 2.471 -5.313) 7.655 7.889 ( -5.738 -8.526 -8.022) 13.037 8.004 ( -2.743 3.682 1.545) 4.844 8.314 ( -2.711 0.804 -2.906) 4.055 8.694 ( 0.332 -2.862 1.514) 3.255 9.003 ( -0.460 -1.814 -6.822) 7.074 9.053 ( -3.955 -3.657 -1.422) 5.571 9.170 ( -0.518 -3.980 4.905) 6.338 9.407 ( -0.705 3.260 -0.572) 3.384 9.487 ( -0.087 -5.273 2.196) 5.713 9.786 ( -2.780 12.929 12.293) 18.055 9.845 ( -1.401 5.318 2.124) 5.896 10.101 ( -2.290 -0.675 5.305) 5.817 10.342 ( 2.412 -1.791 3.391) 4.531 10.613 ( 2.709 -13.188 -8.374) 15.856 10.667 ( 1.941 -3.295 -3.552) 5.219 11.009 ( -1.720 -6.483 1.696) 6.919 11.192 ( 1.185 -2.942 5.381) 6.246 11.438 ( 4.685 2.073 -4.013) 6.507 11.608 ( -1.705 -1.717 -0.802) 2.549 11.742 ( -0.340 0.557 2.228) 2.321 11.902 ( 2.743 3.836 0.309) 4.725 12.035 ( 2.438 6.707 -4.293) 8.328 12.147 ( -2.948 -0.295 -7.620) 8.175 12.364 ( 1.490 12.273 10.889) 16.475 12.785 ( 7.742 -1.000 -1.807) 8.012 13.001 ( -7.274 -4.169 6.523) 10.623 13.740 ( -31.517 2.271 6.586) 32.278 14.689 ( -7.359 4.122 5.790) 10.231 14.806 ( -2.024 0.309 -1.291) 2.420 14.866 ( 9.211 8.062 -0.541) 12.253 14.968 ( 6.063 -0.973 -2.913) 6.797 15.238 ( 5.671 -2.721 -2.823) 6.895 15.278 ( 1.589 4.670 1.920) 5.293 15.527 ( 1.946 -2.523 -4.984) 5.916 15.633 ( -2.715 12.181 -0.011) 12.479 15.805 ( -3.709 0.178 -0.750) 3.788 16.159 ( 3.920 -0.590 -2.079) 4.476 16.304 ( -7.301 3.968 6.877) 10.786 16.412 ( -16.200 -3.218 9.409) 19.009 16.598 ( 18.226 9.389 -1.814) 20.582 16.814 ( 3.726 -4.491 3.696) 6.907 17.420 ( 5.202 -1.842 -5.381) 7.708 17.647 ( 3.978 -13.457 -14.847) 20.429 25.472 ( 0.419 -1.191 1.641) 2.071 25.523 ( 0.676 -1.536 0.444) 1.736 25.684 ( -5.409 1.144 2.757) 6.178 25.731 ( -0.427 -0.747 1.030) 1.343 25.850 ( 0.458 3.084 6.505) 7.214 26.147 ( 2.715 -3.095 -3.411) 5.346 26.379 ( -3.623 -2.972 -3.723) 5.985 26.449 ( -1.071 -5.434 -3.523) 6.564 26.901 ( 2.248 10.200 11.786) 15.748 27.397 ( -20.878 2.199 -3.630) 21.305 27.926 ( -16.874 -6.837 4.823) 18.834 28.208 ( -5.971 -13.876 -5.012) 15.916 28.282 ( -3.822 -9.229 -0.516) 10.002 28.488 ( 3.110 -1.276 1.124) 3.545 29.115 ( -9.255 4.572 -2.869) 10.714 29.636 ( 63.286 21.442 -6.707) 67.155 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 9.659 -17.476 19.207) 27.706 1.834 ( 6.778 -23.444 17.764) 30.185 2.388 ( 4.362 -19.507 7.483) 21.344 2.454 ( -2.817 -9.715 17.741) 20.422 2.847 ( 8.161 -15.071 4.038) 17.608 2.938 ( -3.833 -13.913 -6.032) 15.641 3.283 ( 5.509 -12.387 -0.813) 13.581 3.433 ( -4.735 -9.749 4.616) 11.780 3.599 ( 4.241 -16.084 -4.084) 17.128 3.645 ( -0.957 -14.464 0.644) 14.510 3.835 ( 0.063 -3.213 -9.091) 9.642 3.974 ( 5.395 -4.236 7.245) 9.977 4.153 ( 2.755 1.487 4.232) 5.264 4.167 ( -4.575 6.129 4.350) 8.798 4.362 ( -1.105 -6.609 -4.125) 7.868 4.531 ( -4.374 -1.125 -11.861) 12.692 4.742 ( -1.896 1.224 -2.734) 3.546 4.919 ( -9.291 6.602 -7.377) 13.577 5.108 ( -4.423 4.341 1.203) 6.313 5.217 ( 6.671 6.854 0.925) 9.609 5.438 ( 3.379 8.989 -4.701) 10.692 5.652 ( -2.617 -2.377 1.201) 3.734 5.777 ( -1.270 -0.783 9.057) 9.179 5.979 ( -5.654 1.093 3.471) 6.724 6.131 ( 6.115 5.856 5.562) 10.130 6.154 ( -0.853 1.437 2.057) 2.650 6.255 ( 2.423 0.134 0.324) 2.448 6.322 ( -1.941 1.587 -6.606) 7.066 6.454 ( -4.326 -2.942 -3.629) 6.368 6.578 ( 3.660 -3.338 -3.525) 6.080 6.692 ( 1.569 -8.410 -0.644) 8.580 6.942 ( 5.633 9.149 0.871) 10.779 7.012 ( 1.011 1.010 -10.800) 10.894 7.066 ( 1.358 2.710 3.960) 4.987 7.331 ( -0.675 1.131 3.542) 3.779 7.501 ( -4.354 0.735 -4.161) 6.067 7.614 ( 3.182 4.082 -4.166) 6.644 7.799 ( -3.267 1.249 -13.665) 14.105 8.065 ( -4.499 -6.519 4.267) 8.997 8.275 ( -3.568 0.670 -0.862) 3.732 8.744 ( -1.559 -2.421 0.746) 2.974 9.004 ( -0.962 -3.202 -5.724) 6.629 9.083 ( -5.688 -2.919 -0.248) 6.398 9.223 ( -2.702 0.183 6.435) 6.981 9.348 ( -0.920 0.649 -1.621) 1.973 9.561 ( -5.692 -3.396 4.044) 7.764 9.701 ( 5.148 8.210 3.880) 10.438 9.792 ( -0.038 -1.301 6.399) 6.530 10.137 ( -1.284 -2.307 2.534) 3.660 10.433 ( 3.183 -4.391 3.830) 6.640 10.700 ( -1.767 -2.978 -2.732) 4.410 10.769 ( 10.097 -4.367 -4.099) 11.740 11.097 ( -2.250 -6.177 -5.386) 8.499 11.302 ( 3.973 -4.271 4.555) 7.401 11.421 ( 3.952 1.646 -2.001) 4.725 11.641 ( -2.598 -4.240 0.709) 5.023 11.738 ( -2.171 0.234 1.168) 2.476 11.827 ( 2.220 8.168 0.961) 8.519 11.907 ( 1.285 6.165 -3.604) 7.256 12.105 ( -0.065 -0.042 -5.655) 5.656 12.266 ( 1.176 7.328 8.790) 11.504 12.745 ( 3.609 8.353 -7.741) 11.947 12.986 ( -9.239 1.641 9.516) 13.365 13.524 ( -20.475 4.917 7.082) 22.216 14.629 ( -4.540 1.611 7.624) 9.019 14.749 ( 4.891 5.360 1.980) 7.522 14.843 ( 1.300 -1.017 -1.660) 2.341 14.980 ( -1.399 -1.254 -4.723) 5.083 15.241 ( -0.836 -1.304 0.802) 1.745 15.304 ( 6.618 2.757 -5.473) 9.020 15.465 ( -0.502 4.611 3.468) 5.791 15.573 ( 5.590 -1.176 -7.751) 9.628 15.778 ( -3.838 0.646 0.071) 3.893 16.114 ( -6.694 3.222 5.360) 9.161 16.216 ( -2.435 6.749 3.477) 7.973 16.483 ( 0.821 -6.029 2.650) 6.637 16.542 ( 2.500 3.711 -0.473) 4.499 16.946 ( 6.719 -3.456 3.422) 8.295 17.467 ( 4.845 -1.848 -4.386) 6.792 17.708 ( 3.464 -0.533 -13.119) 13.579 25.505 ( 0.137 -1.672 1.249) 2.092 25.570 ( 1.496 -2.583 0.632) 3.051 25.665 ( -2.818 -0.173 4.039) 4.928 25.747 ( -0.949 -1.040 1.278) 1.901 25.847 ( 0.604 1.561 3.587) 3.958 26.188 ( 4.005 -1.165 -2.325) 4.775 26.374 ( -3.004 -1.830 -3.292) 4.818 26.486 ( -2.800 -3.695 -8.413) 9.606 26.852 ( 1.175 5.992 15.278) 16.453 27.233 ( -8.563 2.301 -2.176) 9.130 27.914 ( -6.293 -1.249 1.971) 6.712 28.353 ( -3.304 -9.012 -7.131) 11.958 28.458 ( -9.375 -17.528 -0.912) 19.899 28.548 ( -0.235 -3.399 3.299) 4.743 28.960 ( -3.611 4.311 -4.424) 7.155 29.603 ( 36.392 23.649 -1.271) 43.420 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 11.706 -13.000 14.037) 22.428 2.206 ( -3.937 -12.608 8.861) 15.905 2.599 ( -0.688 -13.935 -4.767) 14.744 2.772 ( 4.744 -8.615 15.458) 18.321 3.070 ( -2.679 -8.616 0.392) 9.032 3.195 ( 6.765 -12.002 6.289) 15.145 3.484 ( 1.477 -6.590 3.649) 7.676 3.540 ( 5.211 -2.320 -7.393) 9.338 3.576 ( -7.621 -2.003 -8.918) 11.900 3.808 ( 3.395 -1.521 1.864) 4.161 3.983 ( -4.991 -6.286 0.456) 8.039 4.051 ( -5.618 -3.073 5.004) 8.127 4.195 ( 0.808 -0.338 1.599) 1.823 4.210 ( 1.144 -2.260 -6.673) 7.137 4.283 ( -7.506 -0.174 -6.507) 9.935 4.669 ( 6.481 -4.792 0.180) 8.062 4.729 ( 8.566 -6.079 4.277) 11.341 4.826 ( -2.371 -6.250 -5.980) 8.969 5.003 ( -2.781 3.794 -0.069) 4.705 5.171 ( 4.882 5.871 7.835) 10.940 5.319 ( -0.474 2.393 -5.864) 6.352 5.648 ( -3.507 3.319 5.366) 7.219 5.737 ( -5.830 0.847 -3.565) 6.886 5.906 ( -3.461 4.464 2.477) 6.168 6.042 ( -2.403 3.055 0.411) 3.909 6.163 ( 3.370 4.533 8.651) 10.332 6.288 ( 2.575 -2.194 -1.267) 3.613 6.349 ( 2.534 -5.599 -5.529) 8.267 6.472 ( -1.222 -1.543 -1.103) 2.257 6.644 ( 2.514 -0.390 -1.589) 2.999 6.732 ( -1.690 1.330 -1.519) 2.633 6.879 ( -2.654 1.339 -5.541) 6.288 6.996 ( 0.136 -7.667 -0.506) 7.685 7.099 ( 5.064 -0.537 1.881) 5.429 7.283 ( 0.843 3.084 -5.441) 6.311 7.446 ( -6.435 -1.526 -1.461) 6.773 7.591 ( 3.665 2.541 0.488) 4.486 7.769 ( 2.282 -4.237 -6.411) 8.016 8.110 ( -1.929 0.198 2.476) 3.145 8.221 ( -3.261 2.130 -0.266) 3.904 8.733 ( -4.385 2.312 2.486) 5.545 9.040 ( -1.962 -4.596 -3.901) 6.339 9.050 ( -5.777 -1.439 -1.465) 6.131 9.225 ( -2.083 -0.583 2.258) 3.127 9.350 ( -2.345 -0.182 4.538) 5.112 9.544 ( 1.172 6.323 -0.380) 6.442 9.634 ( -1.514 -0.303 3.913) 4.207 9.908 ( 3.710 -5.266 3.212) 7.198 10.159 ( -0.760 0.340 0.489) 0.965 10.563 ( 2.852 -5.250 4.843) 7.691 10.703 ( -2.229 -1.224 -2.313) 3.437 10.895 ( 9.450 -2.316 -0.851) 9.767 11.137 ( -2.986 -6.230 -9.042) 11.380 11.395 ( 2.784 0.145 3.717) 4.646 11.432 ( 3.528 0.338 -2.083) 4.111 11.666 ( -5.079 3.196 1.650) 6.223 11.677 ( 1.520 4.409 1.811) 5.003 11.754 ( -1.084 -5.013 -1.897) 5.468 11.873 ( 3.585 0.723 -0.563) 3.700 12.086 ( 3.948 2.090 -2.613) 5.175 12.202 ( 2.894 6.518 3.556) 7.969 12.548 ( 2.130 10.049 -8.645) 13.427 12.912 ( -10.158 3.375 7.812) 13.251 13.308 ( -13.080 9.057 4.775) 16.611 14.646 ( -0.154 -2.164 4.965) 5.418 14.760 ( 1.658 -1.110 2.031) 2.847 14.851 ( -3.199 -2.075 -0.845) 3.905 15.018 ( 1.544 -5.334 -1.864) 5.857 15.144 ( -0.619 8.626 -4.275) 9.647 15.315 ( 5.742 1.289 0.369) 5.897 15.469 ( 0.353 -1.233 1.767) 2.183 15.585 ( 4.547 1.005 -7.089) 8.482 15.735 ( -3.432 0.035 0.920) 3.553 16.049 ( -3.908 2.778 1.855) 5.141 16.061 ( -5.953 8.527 6.548) 12.289 16.524 ( -0.090 0.097 -0.239) 0.273 16.615 ( 2.952 -6.174 2.418) 7.258 17.046 ( 4.226 -1.344 3.336) 5.549 17.512 ( 3.951 -2.069 -3.957) 5.963 17.641 ( 1.634 3.136 -9.484) 10.122 25.544 ( 0.259 -2.030 1.599) 2.597 25.621 ( 0.907 -1.921 -0.622) 2.213 25.677 ( -1.047 -0.695 4.437) 4.611 25.759 ( -1.418 -0.639 1.160) 1.940 25.829 ( -0.092 2.575 1.855) 3.175 26.225 ( 5.422 -0.031 -3.061) 6.227 26.365 ( -2.558 -1.471 -2.034) 3.584 26.463 ( -3.483 -1.924 -7.902) 8.847 26.852 ( 0.849 3.716 14.771) 15.255 27.151 ( -1.926 2.293 -2.099) 3.657 27.905 ( -4.259 -1.436 2.194) 5.001 28.384 ( -6.128 -4.015 -6.542) 9.822 28.588 ( -5.326 -5.002 -5.680) 9.254 28.666 ( -7.389 -13.470 0.629) 15.377 28.938 ( 4.218 -2.755 1.620) 5.292 29.445 ( 23.458 22.505 0.609) 32.514 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 1.452 -2.530 12.855) 13.182 2.388 ( -1.219 -9.236 1.785) 9.485 2.649 ( -0.053 6.086 -1.062) 6.178 2.935 ( -4.018 -2.969 -0.201) 5.000 3.172 ( 3.040 -2.973 11.203) 11.983 3.419 ( -1.776 -5.553 3.028) 6.569 3.461 ( 2.912 1.347 -7.330) 8.001 3.576 ( 1.913 -1.409 3.976) 4.632 3.646 ( 1.078 -2.739 -6.028) 6.708 3.854 ( -0.538 5.505 -0.645) 5.568 3.878 ( 2.175 -2.396 2.328) 3.986 4.015 ( -3.254 -1.237 -12.491) 12.966 4.158 ( -2.261 4.564 -2.638) 5.736 4.220 ( -1.453 -5.915 -3.529) 7.040 4.368 ( -6.507 -8.806 3.190) 11.404 4.632 ( 0.328 3.153 -3.007) 4.369 4.866 ( 13.800 4.596 6.523) 15.941 4.944 ( -6.177 0.287 0.705) 6.224 5.003 ( 0.037 -9.074 -2.375) 9.380 5.169 ( 5.408 4.272 4.892) 8.452 5.354 ( 4.354 -2.341 1.541) 5.178 5.549 ( -1.895 4.409 0.319) 4.810 5.676 ( -3.494 1.772 -5.041) 6.384 5.850 ( -2.408 -0.205 2.679) 3.607 6.074 ( 0.842 -3.664 7.751) 8.615 6.121 ( -0.521 5.987 6.982) 9.212 6.322 ( -1.480 -1.298 -3.208) 3.764 6.388 ( -0.851 0.427 -6.782) 6.849 6.454 ( 1.406 -0.526 -5.205) 5.417 6.610 ( -2.798 1.205 3.589) 4.708 6.734 ( 0.446 -1.143 -3.933) 4.120 6.849 ( 3.018 -1.674 -0.466) 3.483 7.057 ( -5.298 -3.214 -0.625) 6.228 7.219 ( 2.734 -4.605 2.743) 6.017 7.284 ( 3.517 -5.920 -8.834) 11.201 7.417 ( -4.479 -0.980 -3.125) 5.549 7.587 ( 3.388 1.197 3.656) 5.126 7.853 ( 2.332 -1.803 5.150) 5.934 8.073 ( -0.342 3.718 0.511) 3.768 8.179 ( 1.437 0.019 -0.970) 1.734 8.660 ( -2.222 3.373 3.929) 5.635 9.037 ( -3.745 -3.886 -5.523) 7.722 9.096 ( -3.372 -4.311 0.190) 5.477 9.219 ( -1.263 -0.795 -3.413) 3.725 9.343 ( -4.035 1.848 8.340) 9.447 9.432 ( 0.333 6.101 0.321) 6.119 9.684 ( -0.851 -2.991 2.201) 3.810 10.022 ( 4.021 -3.562 0.152) 5.374 10.104 ( -1.424 4.929 -0.908) 5.210 10.651 ( -0.642 -0.222 1.461) 1.611 10.712 ( -0.216 -2.407 1.931) 3.093 10.960 ( 4.054 0.144 -0.431) 4.080 11.198 ( 1.292 -7.265 -8.726) 11.428 11.340 ( -1.419 5.591 -5.356) 7.871 11.422 ( -1.015 0.279 3.374) 3.535 11.587 ( -2.922 1.888 2.861) 4.504 11.736 ( 1.459 -1.759 5.762) 6.199 11.808 ( 0.867 -0.230 -5.469) 5.542 11.908 ( 3.979 -4.144 3.431) 6.691 12.052 ( 7.226 6.958 2.112) 10.251 12.151 ( 1.050 -0.187 -4.432) 4.558 12.443 ( 5.529 1.601 -4.960) 7.598 12.796 ( -8.696 4.350 1.364) 9.819 13.086 ( -8.064 9.034 1.908) 12.259 14.729 ( 2.644 -3.694 1.740) 4.864 14.769 ( -1.832 0.707 -0.341) 1.993 14.878 ( -1.331 0.057 0.336) 1.374 14.994 ( -0.420 2.560 -0.736) 2.697 15.142 ( 1.713 -6.480 1.802) 6.941 15.316 ( 3.566 3.062 0.161) 4.703 15.498 ( 3.098 -0.624 -2.526) 4.045 15.530 ( 1.040 3.724 -3.515) 5.225 15.730 ( -4.595 0.107 0.260) 4.603 15.913 ( -3.062 2.883 1.556) 4.484 16.036 ( -4.718 -0.779 7.113) 8.571 16.517 ( 0.577 0.906 -1.214) 1.620 16.738 ( 1.476 -4.016 4.457) 6.178 17.088 ( 0.281 0.059 2.941) 2.955 17.551 ( 1.970 -0.642 -8.742) 8.985 17.580 ( 2.276 -0.892 -1.646) 2.947 25.581 ( -0.706 -0.808 2.425) 2.652 25.639 ( -0.215 -1.039 -0.496) 1.171 25.707 ( 0.370 0.074 2.983) 3.007 25.757 ( -1.240 0.407 1.080) 1.694 25.784 ( -0.483 2.146 -0.372) 2.231 26.237 ( 6.462 1.135 -5.704) 8.693 26.367 ( -2.685 -1.706 -0.924) 3.313 26.439 ( -1.813 -1.259 -2.403) 3.263 26.889 ( 2.825 2.160 14.551) 14.979 27.086 ( -1.015 2.171 -5.072) 5.610 27.911 ( -3.867 -1.367 2.226) 4.667 28.369 ( -5.193 -3.735 -5.293) 8.303 28.570 ( -1.551 -0.864 -8.205) 8.395 28.811 ( -7.661 -10.984 -0.367) 13.396 29.066 ( 2.101 -4.590 2.711) 5.730 29.253 ( 15.048 17.316 3.013) 23.138 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -13.937 7.138 11.461) 19.404 2.379 ( -5.821 12.096 -6.973) 15.126 2.487 ( 3.110 10.629 7.640) 13.454 2.906 ( 2.138 4.415 0.930) 4.993 3.241 ( -0.929 1.803 5.268) 5.645 3.287 ( -4.809 9.422 -10.572) 14.956 3.438 ( 0.063 8.918 -1.701) 9.079 3.541 ( 1.663 -2.234 0.885) 2.922 3.724 ( 4.112 -3.780 0.001) 5.585 3.833 ( 3.748 2.748 4.601) 6.539 4.005 ( 2.911 0.875 -10.845) 11.263 4.026 ( -3.432 -2.771 -3.586) 5.685 4.078 ( 8.323 -5.127 -2.348) 10.053 4.234 ( 0.523 -1.597 -0.695) 1.818 4.424 ( -7.126 -2.632 4.463) 8.810 4.605 ( 5.524 0.957 -1.508) 5.805 4.860 ( -11.799 3.539 5.254) 13.392 4.973 ( 4.688 -3.160 3.509) 6.654 5.057 ( -5.093 -1.275 -2.452) 5.795 5.170 ( 4.719 3.335 6.743) 8.880 5.329 ( 1.169 8.749 0.007) 8.826 5.441 ( 7.765 1.874 -6.009) 9.996 5.701 ( 2.590 -3.636 3.699) 5.798 5.847 ( -3.827 1.468 -0.840) 4.184 5.995 ( -4.236 7.312 -1.471) 8.577 6.153 ( 2.225 0.075 4.830) 5.318 6.277 ( -3.368 1.187 -4.784) 5.970 6.348 ( -3.674 -0.501 1.066) 3.859 6.445 ( -0.123 -0.626 -3.054) 3.120 6.637 ( 3.101 -1.084 -0.021) 3.285 6.748 ( 3.954 -2.589 -6.313) 7.886 6.959 ( 4.650 -3.898 5.716) 8.336 7.054 ( -4.732 -2.007 -1.971) 5.505 7.272 ( -9.155 0.854 -3.699) 9.911 7.288 ( -1.510 -1.662 1.680) 2.804 7.471 ( 9.525 -4.894 -2.131) 10.918 7.642 ( -0.935 -1.823 7.897) 8.159 7.878 ( 0.458 1.476 1.716) 2.309 8.025 ( 2.194 1.616 -0.352) 2.748 8.241 ( 6.427 -2.180 1.900) 7.047 8.668 ( 1.547 -2.604 3.965) 4.990 9.043 ( 1.009 -0.902 -4.959) 5.141 9.132 ( -3.420 -3.685 -0.784) 5.088 9.211 ( -1.666 -1.314 -5.288) 5.698 9.316 ( -3.766 2.652 9.738) 10.773 9.378 ( -1.905 -1.196 0.157) 2.255 9.698 ( -1.369 1.826 1.694) 2.842 9.961 ( -2.961 8.176 -1.717) 8.863 10.104 ( 5.117 -1.219 -0.819) 5.323 10.600 ( -3.480 3.687 -1.174) 5.204 10.750 ( -0.596 -0.229 4.108) 4.157 10.969 ( -1.066 -0.035 -0.078) 1.069 11.213 ( 1.415 3.117 -7.046) 7.834 11.320 ( 2.759 -6.399 -2.550) 7.421 11.462 ( -1.866 -6.047 -1.415) 6.485 11.556 ( -4.567 0.385 3.950) 6.050 11.630 ( -1.460 10.404 -0.835) 10.539 11.838 ( 2.967 0.086 2.098) 3.635 11.973 ( -1.226 5.395 -0.174) 5.535 12.120 ( 7.032 -9.327 6.100) 13.177 12.163 ( 2.135 -0.820 -3.699) 4.349 12.525 ( 7.450 -6.508 -4.765) 10.980 12.659 ( -3.067 4.099 -2.740) 5.807 12.940 ( -1.336 3.557 -0.629) 3.852 14.711 ( 1.047 6.530 1.650) 6.816 14.739 ( -2.220 2.430 -2.757) 4.294 14.872 ( 2.352 -2.778 1.559) 3.960 15.065 ( -0.561 -6.805 1.536) 6.999 15.246 ( 0.999 0.098 5.997) 6.080 15.283 ( -0.205 -0.194 -1.018) 1.057 15.440 ( 1.369 5.357 -4.171) 6.926 15.536 ( 3.864 -1.824 -4.544) 6.238 15.670 ( -3.492 -0.641 -2.999) 4.647 15.934 ( -4.333 -4.253 4.498) 7.556 16.076 ( -3.342 -3.481 7.819) 9.188 16.489 ( 2.423 2.550 -2.657) 4.408 16.797 ( -2.454 -0.258 5.664) 6.179 17.084 ( -4.115 0.197 2.916) 5.047 17.520 ( 0.873 0.062 -4.987) 5.063 17.666 ( 3.538 -6.674 -3.431) 8.297 25.575 ( -2.515 0.974 2.296) 3.542 25.656 ( -0.121 -0.164 0.109) 0.231 25.679 ( -0.951 3.727 1.534) 4.141 25.721 ( -0.155 1.436 -0.703) 1.606 25.795 ( 0.728 -1.605 0.217) 1.776 26.247 ( 6.982 0.207 -6.596) 9.607 26.360 ( -2.581 -0.514 -0.023) 2.632 26.454 ( 0.232 -0.825 1.788) 1.983 26.938 ( 2.016 4.313 10.784) 11.788 27.046 ( 2.624 -1.934 -3.076) 4.482 27.908 ( -3.257 -0.732 0.961) 3.474 28.377 ( -3.259 -3.804 -5.814) 7.674 28.518 ( 1.234 2.575 -6.353) 6.965 28.894 ( -2.155 -0.211 -3.485) 4.103 28.999 ( 2.060 6.664 4.608) 8.359 29.281 ( -1.482 -7.063 3.256) 7.918 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -24.330 13.401 13.723) 30.981 1.931 ( -10.045 27.535 -2.338) 29.403 2.361 ( 0.826 16.487 8.113) 18.394 2.707 ( 4.537 23.462 -1.499) 23.943 3.033 ( -1.199 9.651 -5.139) 11.000 3.205 ( -1.534 2.845 -3.664) 4.885 3.304 ( 3.636 6.405 -1.877) 7.601 3.628 ( 1.253 -1.888 -2.775) 3.582 3.710 ( -0.599 9.431 6.198) 11.301 3.744 ( 4.066 8.362 -7.927) 12.219 3.886 ( -1.705 5.313 -1.132) 5.694 4.046 ( 1.944 1.016 2.983) 3.702 4.201 ( 3.439 1.820 -8.121) 9.005 4.311 ( 0.347 -2.045 6.190) 6.528 4.458 ( 3.304 -5.533 1.834) 6.700 4.514 ( -7.789 12.040 5.054) 15.204 4.796 ( 4.513 -2.699 6.846) 8.632 4.960 ( -6.682 -4.987 -3.970) 9.235 5.090 ( -0.870 -2.890 -0.363) 3.040 5.206 ( 4.990 -0.348 3.662) 6.199 5.341 ( 5.063 -5.945 -4.525) 9.025 5.484 ( 8.637 0.878 1.046) 8.744 5.669 ( -9.503 8.403 -5.482) 13.820 5.807 ( 5.109 -2.289 3.279) 6.488 5.892 ( -0.752 1.039 -3.756) 3.969 6.177 ( -2.136 1.768 4.352) 5.160 6.243 ( 1.319 -3.305 -2.724) 4.482 6.333 ( -3.723 0.400 4.053) 5.518 6.454 ( 1.662 -0.964 -3.548) 4.035 6.641 ( 0.721 1.306 -1.797) 2.335 6.769 ( 5.724 3.053 -6.812) 9.407 7.000 ( -1.780 -1.169 -1.882) 2.842 7.078 ( 2.360 3.286 0.469) 4.073 7.195 ( -8.042 -5.964 -0.229) 10.014 7.287 ( -6.633 0.392 5.852) 8.854 7.613 ( 7.654 -4.031 -3.480) 9.324 7.674 ( -6.666 -2.003 6.013) 9.198 7.887 ( 7.987 0.207 -1.815) 8.193 8.049 ( 1.123 -1.670 3.273) 3.842 8.331 ( 7.622 -0.687 0.545) 7.672 8.763 ( 2.043 -2.536 3.147) 4.529 9.042 ( 1.537 0.073 -2.252) 2.728 9.141 ( -4.197 -2.448 -3.547) 6.016 9.195 ( 0.443 -0.834 -2.273) 2.462 9.301 ( -2.826 1.525 9.769) 10.283 9.446 ( 3.448 -4.420 0.601) 5.637 9.636 ( -1.569 3.859 0.659) 4.218 9.784 ( -4.549 8.034 -0.709) 9.260 10.130 ( 5.247 2.780 -0.242) 5.943 10.486 ( -5.598 4.530 -0.760) 7.241 10.760 ( -0.474 0.658 3.279) 3.377 10.937 ( -6.909 0.356 1.122) 7.009 11.180 ( 5.330 -0.110 -6.281) 8.239 11.376 ( -0.410 5.577 0.544) 5.619 11.484 ( -8.139 -1.123 -4.305) 9.276 11.504 ( 2.651 -0.502 -0.481) 2.740 11.617 ( 0.900 -7.673 0.332) 7.733 11.759 ( 0.459 8.627 -0.148) 8.641 11.941 ( -3.545 -1.451 1.683) 4.183 12.152 ( 1.084 1.726 -1.513) 2.539 12.305 ( 5.401 -2.398 6.453) 8.750 12.493 ( 0.481 1.142 -11.834) 11.899 12.836 ( 13.132 -12.098 1.613) 17.928 12.950 ( 5.346 -3.634 0.336) 6.473 14.624 ( 4.367 6.159 2.786) 8.048 14.697 ( -5.765 -2.507 -0.362) 6.297 14.927 ( -0.294 -0.919 1.325) 1.639 15.163 ( 2.960 -1.177 0.988) 3.335 15.214 ( -0.286 1.970 1.979) 2.807 15.325 ( -1.038 0.912 -0.377) 1.432 15.346 ( -3.325 -1.978 -0.141) 3.871 15.581 ( 4.834 -2.162 -6.673) 8.519 15.693 ( 2.744 -4.316 -5.549) 7.547 15.980 ( -7.523 -2.816 7.754) 11.165 16.161 ( -3.134 -4.280 5.902) 7.935 16.462 ( 4.065 1.044 -2.578) 4.926 16.770 ( -6.233 2.226 5.450) 8.574 17.050 ( -8.809 -0.172 4.067) 9.704 17.505 ( 0.487 0.411 -3.421) 3.480 17.810 ( 2.922 -9.852 -5.397) 11.607 25.545 ( -2.682 1.402 2.010) 3.633 25.602 ( -1.954 3.302 1.137) 4.002 25.640 ( -0.249 2.106 -0.021) 2.120 25.717 ( 0.912 0.091 0.480) 1.035 25.821 ( 0.851 -0.431 0.056) 0.956 26.262 ( 5.263 -0.435 -9.522) 10.888 26.366 ( 0.579 -0.178 5.923) 5.954 26.471 ( 0.270 0.298 1.997) 2.037 26.874 ( -1.899 4.353 -1.350) 4.938 27.178 ( 11.544 -3.813 9.742) 15.579 27.897 ( -1.522 -0.113 -0.686) 1.673 28.363 ( -2.505 -0.876 -7.700) 8.145 28.457 ( 4.272 4.257 -2.518) 6.535 28.708 ( 3.551 14.557 -4.273) 15.581 29.078 ( -6.086 -8.431 7.432) 12.781 29.376 ( -11.648 -9.702 -3.514) 15.561 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -23.049 21.315 14.574) 34.612 1.371 ( -13.685 27.643 16.228) 34.853 1.910 ( -13.016 35.947 5.557) 38.633 2.276 ( 4.457 28.544 -0.718) 28.898 2.949 ( 10.600 7.216 2.290) 13.026 3.072 ( 3.731 12.179 -5.070) 13.709 3.206 ( -7.861 3.638 -2.410) 8.991 3.420 ( 6.790 23.633 -6.619) 25.465 3.478 ( -1.159 9.598 4.058) 10.485 3.759 ( -3.266 7.861 -1.611) 8.664 3.830 ( 1.860 -6.023 -0.283) 6.311 3.929 ( -4.466 11.753 3.727) 13.114 4.021 ( -2.332 3.125 0.927) 4.008 4.382 ( 1.103 -1.157 -7.195) 7.371 4.450 ( -2.742 -1.873 11.321) 11.798 4.633 ( 3.367 -8.331 0.951) 9.036 4.868 ( 0.296 3.263 3.777) 5.000 5.044 ( 3.852 -8.067 -5.525) 10.509 5.166 ( 3.751 -7.125 -6.676) 10.460 5.292 ( 5.731 -5.099 -4.145) 8.719 5.386 ( -0.168 6.366 6.747) 9.278 5.458 ( -3.457 -0.479 -10.482) 11.048 5.602 ( 7.981 -4.479 2.129) 9.396 5.887 ( 4.558 -3.785 -3.208) 6.737 5.922 ( 3.174 -1.534 7.024) 7.859 6.138 ( -5.386 0.901 4.126) 6.845 6.308 ( -6.983 -2.154 3.451) 8.081 6.354 ( 6.301 -2.443 2.732) 7.289 6.447 ( 2.076 0.771 -4.134) 4.690 6.602 ( 0.019 3.405 -3.692) 5.022 6.686 ( 1.475 3.265 -4.886) 6.058 6.937 ( -5.497 6.102 -0.081) 8.214 7.035 ( -0.722 -0.050 -5.112) 5.163 7.231 ( -4.604 -2.541 4.429) 6.875 7.323 ( -4.135 -6.544 2.215) 8.052 7.594 ( -0.125 1.310 -10.895) 10.974 7.765 ( 1.652 -6.139 2.802) 6.947 7.969 ( 10.767 -0.235 2.107) 10.974 8.093 ( -3.917 -1.565 2.599) 4.954 8.366 ( 4.908 1.140 -5.398) 7.385 8.759 ( -0.570 4.379 1.574) 4.688 9.047 ( 0.052 0.053 2.460) 2.461 9.126 ( -0.954 1.301 -4.224) 4.521 9.223 ( 0.817 -3.860 -3.591) 5.335 9.320 ( 3.463 2.795 10.287) 11.208 9.482 ( 0.326 4.601 3.334) 5.691 9.594 ( -4.544 -0.119 2.483) 5.180 9.710 ( 0.838 -4.436 1.922) 4.906 10.100 ( 4.540 5.133 1.702) 7.060 10.375 ( -5.340 3.227 0.439) 6.255 10.745 ( -0.302 2.480 1.343) 2.836 10.876 ( -9.802 -1.047 -0.416) 9.867 11.227 ( 9.355 -0.258 -3.854) 10.121 11.239 ( -0.940 5.990 -0.500) 6.084 11.339 ( -7.843 6.818 -10.818) 15.001 11.579 ( 7.647 0.104 2.672) 8.101 11.664 ( -0.192 1.329 3.756) 3.989 11.747 ( 0.616 -4.134 -1.965) 4.619 11.926 ( -5.955 -1.877 2.896) 6.882 12.152 ( 3.294 -0.569 0.211) 3.350 12.328 ( -0.342 1.508 -3.702) 4.012 12.506 ( 11.362 0.221 -1.966) 11.533 12.992 ( 5.422 -2.374 -3.265) 6.760 13.251 ( 19.745 -12.010 9.090) 24.834 14.609 ( 3.871 1.750 4.404) 6.119 14.750 ( -5.205 -8.474 0.828) 9.980 14.911 ( -4.588 -0.000 0.163) 4.591 15.108 ( 4.476 7.984 -0.506) 9.167 15.236 ( -0.800 -0.063 1.899) 2.061 15.290 ( -7.066 -4.126 -1.955) 8.413 15.428 ( -1.457 -6.873 1.224) 7.131 15.603 ( 3.086 -0.409 -5.378) 6.213 15.779 ( 7.499 -4.063 -6.660) 10.821 15.990 ( -6.980 -0.834 8.594) 11.103 16.179 ( -0.287 1.915 0.673) 2.050 16.524 ( 0.983 -5.937 1.367) 6.171 16.692 ( -9.239 2.864 4.883) 10.836 16.999 ( -15.095 -1.987 6.684) 16.628 17.473 ( 0.117 1.538 -3.880) 4.176 17.955 ( -0.919 -9.996 -10.906) 14.822 25.499 ( -1.453 2.707 0.686) 3.148 25.556 ( -2.021 1.765 1.527) 3.087 25.624 ( -0.940 -0.757 3.966) 4.146 25.722 ( 0.686 0.565 1.124) 1.432 25.819 ( 0.581 1.247 -0.254) 1.399 26.245 ( 2.841 0.175 -10.591) 10.967 26.436 ( 4.430 -0.685 9.006) 10.060 26.466 ( -0.479 1.045 1.490) 1.882 26.775 ( -2.774 3.395 -2.856) 5.233 27.433 ( 18.190 -5.850 14.696) 24.106 27.883 ( 3.738 1.936 -1.253) 4.392 28.311 ( 4.924 4.166 -3.513) 7.345 28.422 ( 4.042 2.363 -2.948) 5.533 28.474 ( 2.008 13.355 -3.579) 13.971 29.200 ( -8.187 -7.972 5.889) 12.855 29.356 ( -26.690 -9.451 -14.065) 31.615 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -8.049 25.130 28.477) 38.823 0.961 ( -14.991 27.235 24.728) 39.724 1.201 ( -16.265 33.641 32.472) 49.504 1.910 ( 3.940 18.779 4.677) 19.749 2.739 ( 1.560 18.882 -3.520) 19.271 2.904 ( -0.044 14.989 10.313) 18.194 3.084 ( 3.923 1.782 -7.989) 9.076 3.161 ( 1.802 4.102 -14.171) 14.862 3.404 ( -0.654 3.272 7.749) 8.437 3.515 ( -7.584 11.257 -1.501) 13.656 3.764 ( -1.826 5.507 5.051) 7.693 3.988 ( 3.533 -2.075 3.296) 5.259 4.066 ( -0.697 -12.280 -2.838) 12.623 4.352 ( 0.439 1.760 -8.799) 8.984 4.437 ( -5.535 2.963 1.580) 6.474 4.742 ( 0.556 -1.171 -6.025) 6.163 4.835 ( -3.519 -3.775 4.461) 6.821 5.058 ( 3.222 7.643 1.575) 8.443 5.257 ( 2.814 -4.401 -9.029) 10.432 5.331 ( 4.533 0.567 -10.345) 11.309 5.465 ( 1.874 -11.073 1.877) 11.386 5.484 ( 6.646 -0.667 2.036) 6.983 5.726 ( 5.687 -2.530 -2.219) 6.608 5.980 ( 2.034 1.246 3.554) 4.280 5.992 ( 6.136 -3.005 -0.929) 6.895 6.102 ( -3.930 1.523 5.809) 7.177 6.299 ( -8.669 -1.310 5.925) 10.582 6.384 ( 5.522 4.386 -1.486) 7.206 6.495 ( 4.018 1.544 2.401) 4.929 6.527 ( -1.106 -3.862 -1.505) 4.290 6.670 ( -2.814 -0.107 -4.373) 5.201 6.783 ( 0.763 6.147 1.636) 6.407 7.036 ( -5.179 -8.022 6.589) 11.601 7.285 ( -0.470 -2.161 2.085) 3.040 7.362 ( -1.893 -2.687 -7.005) 7.737 7.534 ( 6.180 3.464 -10.538) 12.698 7.889 ( -5.738 -6.110 1.992) 8.616 8.008 ( 3.787 1.350 -5.485) 6.801 8.043 ( -4.084 4.811 -2.147) 6.665 8.344 ( 2.212 -0.971 -6.029) 6.495 8.678 ( -0.448 4.590 1.649) 4.898 9.052 ( 0.656 3.538 1.485) 3.893 9.063 ( 0.944 0.678 -1.814) 2.154 9.194 ( -3.339 3.784 -4.197) 6.564 9.409 ( 5.666 -3.253 4.113) 7.720 9.425 ( -1.289 2.308 2.949) 3.960 9.671 ( -6.038 -13.642 15.256) 21.338 9.845 ( 2.462 -5.322 2.982) 6.578 10.071 ( 1.992 2.546 4.483) 5.527 10.310 ( -2.694 1.499 1.871) 3.607 10.685 ( -0.347 3.818 -1.871) 4.265 10.789 ( -9.205 3.929 -13.860) 17.096 11.049 ( -3.955 13.355 -5.137) 14.845 11.155 ( -1.976 3.284 3.224) 5.009 11.337 ( 18.234 -0.967 -5.148) 18.971 11.612 ( 4.029 1.793 0.242) 4.416 11.720 ( 2.183 -1.263 6.623) 7.087 11.774 ( 6.589 -0.126 4.634) 8.057 12.010 ( -0.951 -9.399 5.094) 10.733 12.212 ( 5.692 -2.171 2.565) 6.610 12.264 ( -2.204 1.466 -5.720) 6.303 12.579 ( 18.652 5.666 0.445) 19.499 13.000 ( 0.418 4.869 3.944) 6.280 13.675 ( 32.478 -10.056 10.112) 35.471 14.667 ( 5.997 -1.731 4.291) 7.574 14.804 ( -3.013 -0.726 -2.037) 3.709 14.909 ( -3.329 -0.706 0.650) 3.464 15.051 ( 0.821 -1.470 2.614) 3.109 15.136 ( -19.468 1.657 -7.801) 21.038 15.331 ( -2.658 -3.844 3.238) 5.686 15.540 ( 1.083 -0.946 -0.770) 1.631 15.645 ( 0.678 -11.232 -0.006) 11.252 15.848 ( 1.897 -3.362 -3.660) 5.319 16.028 ( 5.894 -1.130 7.107) 9.302 16.150 ( 5.780 2.279 -0.805) 6.265 16.572 ( -9.022 5.883 5.341) 12.022 16.647 ( -4.825 -8.454 2.062) 9.950 16.963 ( -32.683 -11.455 8.752) 35.721 17.426 ( 0.994 1.625 -5.139) 5.481 17.906 ( -14.007 5.159 -27.794) 31.549 25.457 ( -0.482 1.732 1.115) 2.115 25.519 ( -0.451 1.665 -0.022) 1.725 25.713 ( -3.199 -6.960 7.220) 10.527 25.723 ( -1.035 -1.407 3.507) 3.918 25.796 ( 0.843 1.162 0.716) 1.605 26.191 ( 1.943 3.463 -10.703) 11.415 26.439 ( -0.921 1.033 -1.323) 1.915 26.475 ( 1.482 5.865 1.414) 6.213 26.784 ( -0.047 -8.687 7.645) 11.572 27.694 ( -5.246 -6.217 -0.806) 8.174 27.992 ( 27.930 -3.627 13.047) 31.040 28.253 ( 9.597 11.461 -1.932) 15.073 28.365 ( 36.865 8.419 10.606) 39.273 28.416 ( 2.946 -0.319 -1.981) 3.565 28.995 ( -58.234 3.538 -32.700) 66.880 29.279 ( -9.407 -3.722 5.237) 11.391 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 17.954 -0.000 25.426) 31.126 1.209 ( 18.715 -0.000 29.977) 35.340 1.861 ( -0.729 0.000 9.331) 9.360 2.243 ( 26.653 -0.000 46.363) 53.478 2.448 ( -5.414 0.000 -7.258) 9.055 2.682 ( -11.617 0.000 1.632) 11.731 2.960 ( 7.217 -0.000 -2.057) 7.504 3.145 ( -12.266 0.000 2.138) 12.451 3.229 ( 8.484 -0.000 -4.662) 9.680 3.410 ( 2.794 -0.000 2.563) 3.791 3.854 ( 6.331 -0.000 5.471) 8.367 3.909 ( -4.633 0.000 -24.907) 25.334 4.116 ( -8.016 0.000 1.846) 8.226 4.278 ( 3.820 -0.000 8.088) 8.945 4.408 ( 1.623 -0.000 -3.729) 4.067 4.563 ( -4.864 0.000 -4.535) 6.650 4.719 ( -3.587 0.000 -7.550) 8.359 5.138 ( -5.116 0.000 -9.714) 10.979 5.138 ( -8.282 0.000 2.335) 8.605 5.270 ( 9.567 -0.000 2.923) 10.004 5.567 ( -6.102 0.000 -5.639) 8.309 5.655 ( -0.187 0.000 8.619) 8.621 5.794 ( 8.200 -0.000 6.057) 10.195 5.938 ( -7.565 0.000 -2.264) 7.897 6.141 ( -3.150 0.000 5.217) 6.095 6.249 ( 8.707 -0.000 1.996) 8.933 6.345 ( -4.154 0.000 -8.626) 9.574 6.376 ( -5.819 0.000 14.173) 15.321 6.393 ( 0.399 -0.000 -5.669) 5.683 6.406 ( 8.713 -0.000 -6.760) 11.028 6.647 ( 3.251 -0.000 -0.653) 3.316 7.077 ( 13.466 -0.000 6.047) 14.761 7.103 ( -7.889 0.000 -15.917) 17.765 7.146 ( -0.367 0.000 -6.623) 6.634 7.368 ( -0.902 0.000 -2.470) 2.630 7.513 ( -8.073 0.000 -1.443) 8.201 7.693 ( -1.957 0.000 0.353) 1.989 7.809 ( 9.940 -0.000 2.512) 10.252 8.054 ( -3.716 0.000 0.229) 3.723 8.238 ( -9.780 0.000 -6.072) 11.511 8.680 ( -0.360 0.000 1.631) 1.670 8.956 ( -0.620 0.000 -5.757) 5.790 8.973 ( -4.203 0.000 -0.502) 4.233 9.139 ( -1.444 0.000 1.445) 2.043 9.435 ( -3.958 0.000 3.404) 5.220 9.460 ( 3.651 -0.000 -0.455) 3.679 9.800 ( -7.059 0.000 1.392) 7.195 9.987 ( -2.387 0.000 0.739) 2.499 10.261 ( -0.313 0.000 2.001) 2.025 10.316 ( 2.962 -0.000 7.505) 8.068 10.385 ( 6.929 -0.000 3.116) 7.598 10.642 ( 4.183 -0.000 -3.828) 5.670 10.962 ( -0.961 0.000 1.192) 1.531 11.208 ( 1.658 -0.000 6.828) 7.027 11.462 ( 2.819 -0.000 -3.825) 4.751 11.572 ( -2.560 0.000 -1.503) 2.968 11.772 ( 1.547 -0.000 4.055) 4.340 11.939 ( -1.683 0.000 1.124) 2.024 12.076 ( 2.446 -0.000 -4.758) 5.350 12.078 ( -4.297 0.000 -7.140) 8.333 12.591 ( -13.074 0.000 1.796) 13.197 12.667 ( 2.663 -0.000 1.313) 2.969 12.951 ( -8.905 0.000 16.023) 18.331 13.523 ( -27.391 0.000 10.872) 29.470 14.716 ( -4.096 0.000 3.190) 5.192 14.784 ( -1.892 0.000 -1.900) 2.682 14.900 ( 4.999 -0.000 1.655) 5.266 15.101 ( 4.092 -0.000 -4.952) 6.424 15.229 ( 0.113 -0.000 1.641) 1.645 15.411 ( 14.896 -0.000 -6.076) 16.088 15.463 ( 1.892 -0.000 -6.682) 6.945 15.728 ( -3.492 0.000 0.111) 3.493 15.765 ( -10.153 0.000 -1.324) 10.239 16.128 ( 3.560 -0.000 -9.510) 10.154 16.270 ( -8.486 0.000 4.454) 9.584 16.271 ( -15.957 0.000 14.240) 21.387 16.781 ( -0.143 0.000 5.014) 5.017 17.068 ( 42.030 -0.000 -20.240) 46.649 17.409 ( 6.114 -0.000 -0.857) 6.174 17.466 ( 3.079 -0.000 -0.900) 3.208 25.477 ( 0.791 -0.000 1.670) 1.848 25.517 ( 1.096 -0.000 0.273) 1.129 25.650 ( -4.834 0.000 0.832) 4.905 25.725 ( -0.678 0.000 0.751) 1.011 25.923 ( -2.485 0.000 6.977) 7.406 26.140 ( 5.691 -0.000 3.143) 6.502 26.287 ( -4.356 0.000 -2.473) 5.009 26.400 ( 0.147 -0.000 -2.184) 2.189 27.110 ( 6.210 -0.000 6.461) 8.962 27.209 ( -23.922 0.000 8.652) 25.439 27.686 ( -11.161 0.000 4.755) 12.132 28.100 ( -2.200 0.000 -1.566) 2.700 28.200 ( 0.997 -0.000 -1.817) 2.072 28.505 ( 0.880 -0.000 1.474) 1.717 29.049 ( -8.746 0.000 -6.877) 11.126 30.218 ( 46.629 -0.000 -21.258) 51.246 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 23.748 -6.917 19.542) 31.523 1.669 ( 14.360 -16.708 22.829) 31.726 2.077 ( -3.581 -18.289 0.924) 18.659 2.394 ( -5.045 -5.512 5.819) 9.471 2.605 ( -6.891 -15.686 5.856) 18.106 2.817 ( 16.552 -6.092 8.404) 19.537 3.115 ( 0.828 -9.051 7.126) 11.550 3.220 ( -3.622 -14.682 7.847) 17.037 3.312 ( 1.030 -7.841 1.533) 8.055 3.538 ( 11.870 -7.732 0.246) 14.169 3.747 ( -2.532 0.206 -21.545) 21.695 3.998 ( 7.425 -5.359 6.856) 11.439 4.090 ( -6.227 -4.747 -0.911) 7.883 4.285 ( -0.530 6.078 -1.961) 6.408 4.355 ( 1.563 0.529 1.809) 2.448 4.459 ( -4.773 5.594 -1.230) 7.455 4.693 ( -3.181 -1.875 -4.850) 6.096 4.954 ( -7.156 8.278 -9.104) 14.235 5.096 ( -6.743 -0.920 -2.433) 7.227 5.355 ( 6.589 2.838 7.477) 10.362 5.490 ( -6.736 1.088 -6.002) 9.088 5.643 ( -3.177 3.374 -1.145) 4.774 5.823 ( 3.849 1.763 10.373) 11.204 5.937 ( -2.478 -3.422 -3.865) 5.726 6.155 ( -1.409 -0.999 3.377) 3.793 6.256 ( -5.939 1.730 -2.904) 6.834 6.266 ( -1.099 1.431 -1.762) 2.521 6.353 ( 10.329 3.881 -0.198) 11.035 6.398 ( 1.418 -1.272 1.911) 2.698 6.557 ( 3.918 -7.485 -0.229) 8.452 6.615 ( 1.940 4.106 0.693) 4.594 6.931 ( -8.052 2.485 -11.974) 14.642 7.111 ( 1.615 1.345 -7.341) 7.636 7.176 ( 3.964 3.729 7.856) 9.557 7.364 ( -5.715 -1.613 -6.255) 8.625 7.399 ( 4.749 3.585 -0.631) 5.984 7.749 ( 1.311 0.217 -6.395) 6.532 7.817 ( 6.149 8.063 4.330) 11.026 7.956 ( -6.013 -0.363 3.377) 6.906 8.185 ( -8.983 -4.661 -4.047) 10.900 8.695 ( -2.264 -1.882 0.902) 3.079 8.931 ( -0.836 -1.553 -3.939) 4.316 8.988 ( -4.628 -3.187 1.251) 5.757 9.164 ( -3.400 -4.157 1.317) 5.529 9.397 ( -4.416 2.834 3.316) 6.207 9.478 ( 0.466 -1.133 -0.375) 1.281 9.792 ( -0.937 -1.899 2.814) 3.522 9.901 ( 1.023 8.414 3.180) 9.053 10.144 ( 0.346 3.134 4.410) 5.421 10.419 ( 3.225 -2.516 2.889) 5.008 10.608 ( 1.380 -7.198 -0.676) 7.360 10.724 ( 10.064 -7.723 -4.837) 13.577 10.978 ( -1.356 -3.188 -4.535) 5.707 11.290 ( 3.460 -3.691 7.063) 8.688 11.458 ( 2.883 0.949 -2.666) 4.040 11.562 ( -3.246 -2.427 -0.823) 4.136 11.779 ( 0.547 3.240 4.030) 5.200 11.924 ( -0.781 1.224 1.457) 2.056 11.968 ( -2.601 4.236 -5.893) 7.709 12.077 ( 0.677 0.489 -2.652) 2.780 12.414 ( -6.423 5.748 7.678) 11.543 12.765 ( -4.116 -5.029 -6.538) 9.218 12.938 ( -11.850 0.592 10.981) 16.166 13.406 ( -17.586 0.522 8.748) 19.649 14.664 ( -3.658 2.888 4.869) 6.740 14.797 ( 1.185 -1.820 -1.254) 2.508 14.902 ( -2.053 2.969 -0.669) 3.671 15.082 ( 6.037 7.212 -1.341) 9.500 15.169 ( -1.455 0.711 0.964) 1.884 15.397 ( 8.079 3.724 -5.157) 10.282 15.544 ( 9.007 -3.041 -8.765) 12.930 15.596 ( -1.877 7.669 1.975) 8.139 15.741 ( -3.644 -1.403 -0.214) 3.911 16.145 ( -10.918 -4.236 -0.627) 11.728 16.153 ( -3.990 3.850 2.560) 6.107 16.347 ( -5.738 -7.218 5.387) 10.679 16.772 ( 5.973 6.748 2.049) 9.241 17.082 ( 22.080 9.229 -2.741) 24.088 17.463 ( 5.532 -0.820 -4.293) 7.050 17.614 ( 4.419 -7.521 -8.398) 12.109 25.494 ( 0.608 -0.647 0.993) 1.332 25.546 ( 1.577 -1.906 0.222) 2.484 25.639 ( -2.999 -1.384 2.169) 3.952 25.729 ( -1.073 -0.765 0.847) 1.566 25.914 ( -0.616 2.570 6.424) 6.947 26.203 ( 5.170 -0.639 -0.820) 5.274 26.283 ( -3.854 -3.391 -0.992) 5.228 26.404 ( -0.275 -1.310 -3.521) 3.767 27.023 ( -6.534 6.410 12.613) 15.584 27.202 ( 0.061 0.178 2.178) 2.186 27.765 ( -9.489 -11.091 2.086) 14.744 28.106 ( -3.324 -5.799 -3.165) 7.395 28.251 ( -1.243 -5.662 -0.900) 5.866 28.501 ( -6.072 -1.413 -0.048) 6.234 28.957 ( -0.482 1.337 -6.601) 6.752 30.235 ( 31.117 19.718 -11.669) 38.642 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 23.013 -10.189 14.625) 29.108 2.037 ( -3.897 -10.261 10.962) 15.513 2.314 ( 1.274 -18.089 0.002) 18.134 2.663 ( 3.733 -15.734 2.962) 16.440 2.866 ( -2.764 -15.426 9.614) 18.386 3.084 ( 6.259 -12.619 9.104) 16.772 3.276 ( -7.973 -12.816 -4.316) 15.698 3.377 ( 1.710 -6.857 -3.114) 7.722 3.537 ( -6.625 -6.149 1.542) 9.170 3.630 ( 0.913 -7.691 -7.354) 10.680 3.829 ( 5.146 -10.404 -5.997) 13.065 4.075 ( -5.331 2.894 -2.067) 6.408 4.184 ( 3.959 -2.835 9.976) 11.101 4.218 ( 0.268 4.066 1.462) 4.329 4.316 ( -1.701 4.965 -6.138) 8.076 4.487 ( 6.784 -13.315 -0.166) 14.945 4.668 ( -3.302 -1.034 -3.575) 4.975 4.804 ( 2.832 -2.267 7.239) 8.097 5.030 ( -5.172 2.125 -1.470) 5.782 5.325 ( -4.223 4.362 -6.695) 9.038 5.371 ( 4.003 6.761 6.456) 10.169 5.602 ( -4.420 -2.698 -5.036) 7.223 5.782 ( -1.491 7.315 4.840) 8.897 5.949 ( -0.649 1.593 0.257) 1.739 6.123 ( -2.032 5.140 3.783) 6.698 6.222 ( -1.550 -4.670 -5.092) 7.081 6.255 ( -0.021 -0.817 -1.583) 1.781 6.354 ( 9.320 5.637 1.625) 11.012 6.462 ( 3.524 -1.599 0.761) 3.944 6.612 ( 2.999 -2.317 -1.862) 4.222 6.697 ( 0.998 -5.549 -0.443) 5.656 6.810 ( -7.547 -1.640 -4.767) 9.076 7.014 ( 0.753 9.691 -0.660) 9.743 7.091 ( -6.787 0.238 -6.027) 9.080 7.309 ( -2.653 0.885 -6.194) 6.796 7.405 ( 4.699 3.579 0.933) 5.980 7.671 ( -1.526 3.548 -0.149) 3.865 7.772 ( 10.196 1.782 1.775) 10.501 8.046 ( -3.719 -6.570 4.285) 8.681 8.175 ( -6.832 -2.855 -2.038) 7.680 8.698 ( -5.268 -1.258 0.334) 5.427 8.957 ( 0.554 -2.818 -1.245) 3.130 8.982 ( -6.842 -1.002 0.497) 6.933 9.206 ( -4.825 -2.148 4.100) 6.686 9.355 ( 1.310 1.111 0.778) 1.886 9.507 ( -3.810 -4.213 -0.528) 5.705 9.749 ( -0.173 8.555 1.756) 8.735 9.888 ( 3.765 -2.728 2.886) 5.472 10.155 ( 0.688 -1.083 0.607) 1.419 10.523 ( 3.234 -4.823 4.288) 7.218 10.662 ( 0.985 -1.264 -1.232) 2.021 10.919 ( 11.074 -5.945 -0.407) 12.576 10.981 ( -3.073 -3.520 -9.508) 10.594 11.434 ( 5.792 -4.263 0.970) 7.256 11.451 ( 3.720 1.601 0.150) 4.053 11.599 ( -2.753 -4.905 -0.024) 5.625 11.722 ( -2.184 3.070 0.639) 3.821 11.791 ( -3.768 7.390 -2.542) 8.675 11.957 ( 6.327 2.928 3.671) 7.879 12.063 ( -1.321 -1.545 -2.218) 3.009 12.360 ( 0.644 3.645 5.864) 6.934 12.675 ( -0.633 7.792 -10.108) 12.778 12.867 ( -16.863 -0.624 6.707) 18.158 13.290 ( -15.934 2.996 6.551) 17.487 14.645 ( -1.729 -0.309 5.298) 5.582 14.776 ( -2.375 2.263 -1.100) 3.460 14.881 ( 0.146 0.117 1.673) 1.683 14.964 ( 5.355 4.372 -1.952) 7.183 15.208 ( -1.018 -0.019 -2.227) 2.449 15.379 ( 7.095 1.742 -1.587) 7.476 15.514 ( 1.757 4.002 4.272) 6.112 15.595 ( 6.788 -0.407 -8.513) 10.896 15.719 ( -2.380 0.656 -1.446) 2.861 16.066 ( -8.068 2.359 7.258) 11.106 16.092 ( -9.660 1.766 -2.848) 10.225 16.447 ( -4.229 -6.118 3.437) 8.193 16.727 ( 13.367 6.533 1.801) 14.987 17.125 ( 10.735 2.729 2.886) 11.446 17.492 ( 3.411 -1.031 -4.827) 6.000 17.638 ( 0.475 0.538 -7.895) 7.927 25.522 ( 0.753 -1.687 0.881) 2.047 25.592 ( 1.075 -2.108 -0.727) 2.476 25.664 ( -1.369 -1.972 3.175) 3.981 25.738 ( -1.594 -0.912 0.964) 2.074 25.891 ( -0.525 3.050 4.164) 5.188 26.238 ( 2.544 -1.798 -4.548) 5.512 26.313 ( 0.196 -1.276 1.973) 2.358 26.392 ( -1.114 -0.757 -4.228) 4.438 26.960 ( -4.516 2.541 9.319) 10.663 27.207 ( 4.165 3.743 4.680) 7.298 27.832 ( -6.045 -4.141 0.672) 7.358 28.178 ( -8.438 -8.648 -8.144) 14.571 28.345 ( -5.439 -10.028 -0.968) 11.449 28.488 ( -6.766 -5.064 -2.490) 8.810 28.961 ( 6.592 -0.754 -0.227) 6.639 30.025 ( 22.285 24.532 -4.360) 33.428 ======================= Grid point 98 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 5.207 -2.166 13.273) 14.421 2.242 ( 5.128 -12.369 7.561) 15.377 2.582 ( 0.400 -10.403 -2.456) 10.697 2.852 ( -1.747 -5.801 -1.856) 6.337 3.143 ( 1.788 -11.789 8.991) 14.934 3.300 ( -4.188 -3.992 -1.165) 5.902 3.379 ( 2.554 -8.544 0.695) 8.945 3.522 ( 1.711 -4.295 -4.510) 6.458 3.572 ( -0.310 -13.251 4.462) 13.985 3.806 ( -4.547 -11.571 -7.559) 14.550 3.851 ( -4.427 5.665 -4.209) 8.331 3.977 ( -3.222 3.844 -5.570) 7.495 4.102 ( -1.441 1.650 -1.422) 2.612 4.194 ( -3.987 -4.375 -0.354) 5.930 4.249 ( 0.603 3.928 3.038) 5.003 4.614 ( -6.661 -0.331 -4.476) 8.032 4.790 ( 4.749 -14.731 0.276) 15.480 4.946 ( -5.169 2.699 1.219) 5.957 5.100 ( 13.176 3.501 6.023) 14.905 5.246 ( 3.776 -7.006 -3.058) 8.526 5.368 ( 9.314 1.956 9.548) 13.481 5.593 ( -4.846 -1.633 -0.522) 5.140 5.684 ( 2.120 5.140 5.125) 7.561 5.881 ( -0.124 4.274 -2.204) 4.810 6.083 ( 0.125 0.950 9.830) 9.877 6.226 ( -3.045 2.250 0.354) 3.803 6.295 ( -0.425 -2.798 -2.843) 4.012 6.331 ( 5.712 0.557 -7.062) 9.099 6.452 ( -0.004 2.592 -5.444) 6.029 6.666 ( -2.871 -2.309 -5.493) 6.614 6.682 ( 0.760 4.086 0.507) 4.187 6.795 ( -0.649 -1.916 -1.404) 2.462 6.968 ( -4.315 -3.315 4.476) 7.046 7.070 ( -3.898 -7.877 -9.089) 12.643 7.229 ( -1.948 1.557 -4.562) 5.199 7.399 ( 4.186 -0.159 -0.189) 4.193 7.657 ( 1.778 1.259 6.166) 6.540 7.872 ( 6.013 -2.270 4.391) 7.783 8.098 ( -3.359 -0.519 2.159) 4.027 8.156 ( -2.887 -1.624 -1.769) 3.755 8.665 ( -7.341 -0.477 2.045) 7.636 8.935 ( -3.367 -0.680 -2.446) 4.217 9.019 ( 0.576 -3.152 0.442) 3.235 9.199 ( -3.368 0.424 2.106) 3.994 9.360 ( -1.934 0.160 2.940) 3.523 9.557 ( 0.717 -0.257 -0.980) 1.241 9.608 ( -2.902 3.577 -0.417) 4.625 9.990 ( 3.541 -4.595 1.047) 5.895 10.156 ( 0.120 2.029 -1.025) 2.276 10.646 ( 1.626 -3.001 3.019) 4.557 10.684 ( 2.104 -1.531 2.413) 3.549 10.954 ( -2.511 -1.848 -7.621) 8.234 11.096 ( 8.910 -5.363 0.366) 10.406 11.395 ( 1.969 4.903 -6.293) 8.217 11.493 ( -0.777 4.186 3.531) 5.531 11.581 ( -5.765 2.312 -0.336) 6.220 11.737 ( 1.333 -2.231 4.586) 5.271 11.745 ( 6.011 -6.074 -4.750) 9.777 11.964 ( 4.710 3.854 4.752) 7.721 12.088 ( -0.056 -3.039 -3.807) 4.872 12.311 ( 6.987 9.200 2.342) 11.788 12.498 ( 0.289 5.285 -6.160) 8.122 12.760 ( -14.715 1.276 1.796) 14.879 13.120 ( -14.868 5.287 2.935) 16.051 14.694 ( 1.392 -3.220 1.808) 3.946 14.739 ( -3.007 -0.729 -0.284) 3.107 14.867 ( 0.699 0.823 3.781) 3.932 15.025 ( 1.225 -4.743 -2.208) 5.373 15.126 ( 2.563 5.570 -1.132) 6.234 15.407 ( 5.033 2.473 0.118) 5.609 15.513 ( 2.428 0.567 2.682) 3.662 15.574 ( 2.200 2.631 -5.962) 6.878 15.692 ( -1.588 -0.282 -1.832) 2.441 15.937 ( -10.768 4.699 0.188) 11.750 16.024 ( -4.960 0.504 5.866) 7.698 16.505 ( -1.646 -2.319 1.310) 3.131 16.787 ( 12.104 1.296 4.192) 12.875 17.152 ( 4.714 3.269 3.239) 6.588 17.493 ( -0.309 -1.023 -7.964) 8.036 17.586 ( 0.185 1.027 -3.040) 3.214 25.566 ( 0.537 -1.934 1.327) 2.406 25.617 ( -0.028 -1.137 -0.758) 1.367 25.711 ( 0.434 -2.035 2.725) 3.429 25.739 ( -2.052 -0.476 0.572) 2.183 25.840 ( -0.985 4.029 1.372) 4.369 26.255 ( 1.959 -1.461 -7.489) 7.877 26.331 ( 1.079 0.437 2.161) 2.454 26.401 ( -0.295 -1.944 1.003) 2.207 26.962 ( -1.004 -1.114 5.114) 5.329 27.163 ( 2.600 7.489 4.669) 9.201 27.848 ( -4.691 -2.910 0.018) 5.521 28.187 ( -8.293 -6.831 -8.002) 13.396 28.452 ( -4.363 -6.997 -3.830) 9.092 28.562 ( -5.003 -10.584 -1.515) 11.805 29.053 ( 5.510 -2.537 3.935) 7.231 29.747 ( 15.584 24.419 -1.420) 29.003 ======================= Grid point 99 (39/140) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -8.235 7.056 11.722) 15.969 2.450 ( 5.673 -0.183 1.000) 5.764 2.664 ( -0.125 0.214 4.316) 4.324 2.860 ( -3.735 -3.973 0.216) 5.457 3.271 ( -4.328 -1.373 -9.201) 10.261 3.337 ( 4.241 3.561 2.507) 6.079 3.495 ( 0.285 -2.380 4.082) 4.734 3.580 ( -1.770 5.342 -8.331) 10.053 3.606 ( -0.345 -6.981 -3.013) 7.611 3.838 ( -0.641 -7.615 -2.147) 7.938 3.886 ( -0.695 -7.200 6.603) 9.794 3.971 ( 4.777 -2.613 -2.744) 6.097 4.123 ( 3.977 -0.469 -5.949) 7.171 4.199 ( 0.731 0.686 -0.823) 1.297 4.267 ( -8.013 -7.789 0.577) 11.190 4.572 ( -5.805 -3.508 0.557) 6.806 4.839 ( -6.628 3.823 1.420) 7.782 4.962 ( -2.426 -3.267 -0.220) 4.075 5.127 ( 11.261 3.005 5.704) 12.976 5.282 ( 5.209 3.033 1.980) 6.344 5.445 ( -2.039 -1.398 -0.326) 2.494 5.537 ( 1.967 12.282 -3.387) 12.891 5.741 ( 10.097 -2.230 7.679) 12.879 5.845 ( 1.359 1.451 2.070) 2.870 6.098 ( -6.075 9.198 -2.730) 11.356 6.166 ( 0.584 -0.596 -0.790) 1.149 6.249 ( 0.386 -2.358 4.087) 4.734 6.345 ( -2.170 2.488 2.408) 4.086 6.446 ( 4.124 -2.818 -5.216) 7.222 6.613 ( 2.528 -0.963 -1.501) 3.094 6.682 ( 0.257 -4.280 -7.884) 8.975 6.885 ( -0.958 -6.186 -1.586) 6.458 6.993 ( 0.590 -1.044 3.102) 3.325 7.100 ( -10.230 -4.952 -6.257) 12.974 7.244 ( -2.910 -6.161 -0.586) 6.839 7.474 ( 7.940 -2.475 -0.392) 8.326 7.685 ( -0.856 1.575 9.447) 9.616 7.919 ( -0.395 1.839 2.863) 3.425 8.059 ( -0.000 1.480 -1.004) 1.788 8.214 ( 2.695 -5.664 -0.352) 6.282 8.640 ( -5.471 -1.774 3.325) 6.643 8.956 ( -0.084 -4.828 -3.311) 5.854 9.055 ( 1.054 -1.034 -1.484) 2.093 9.195 ( -0.389 -1.470 0.534) 1.612 9.343 ( -3.393 1.153 3.250) 4.838 9.422 ( -2.363 7.726 0.642) 8.104 9.666 ( -1.574 -4.756 0.483) 5.033 10.067 ( -0.218 5.802 -0.461) 5.825 10.099 ( 2.933 -2.875 -0.532) 4.141 10.646 ( 1.268 3.146 -0.634) 3.451 10.755 ( -0.660 -1.182 4.721) 4.912 10.935 ( -2.401 -1.613 -4.413) 5.277 11.246 ( 7.663 -4.605 1.553) 9.073 11.281 ( 1.780 5.513 -5.857) 8.238 11.403 ( -2.821 2.041 0.259) 3.492 11.530 ( -6.213 0.338 1.810) 6.480 11.791 ( 1.488 7.359 -0.681) 7.539 11.827 ( 3.961 -3.390 0.467) 5.235 12.012 ( 3.938 -6.014 2.944) 7.768 12.100 ( -0.940 -0.699 -4.783) 4.925 12.225 ( 9.386 9.551 4.208) 14.036 12.464 ( 1.889 -2.373 -7.462) 8.055 12.646 ( -6.918 0.217 -0.629) 6.950 12.955 ( -10.402 2.860 1.796) 10.937 14.709 ( -1.979 0.549 -1.620) 2.616 14.798 ( 1.423 -4.579 1.808) 5.124 14.885 ( 1.120 2.015 1.270) 2.632 14.998 ( 1.801 0.780 -1.804) 2.666 15.196 ( 1.089 -5.948 5.018) 7.857 15.365 ( 2.403 5.148 -1.007) 5.769 15.510 ( 0.749 3.154 -3.065) 4.462 15.536 ( 4.854 0.836 -2.839) 5.685 15.630 ( -7.380 2.314 -1.316) 7.846 15.856 ( -5.363 -2.204 2.898) 6.482 16.032 ( -4.236 -2.026 6.518) 8.033 16.520 ( 0.954 0.219 -0.671) 1.186 16.857 ( 6.430 2.686 4.791) 8.456 17.122 ( 0.306 4.182 2.888) 5.092 17.468 ( -1.395 -2.566 -7.512) 8.060 17.594 ( 1.368 -2.276 -1.867) 3.246 25.581 ( -1.563 0.536 1.498) 2.230 25.644 ( 1.182 -1.685 0.002) 2.058 25.720 ( -1.484 0.900 0.877) 1.945 25.758 ( -0.623 3.212 1.187) 3.480 25.767 ( -0.041 -1.194 -0.822) 1.450 26.250 ( 2.741 -0.603 -7.897) 8.381 26.355 ( 0.834 -0.349 5.179) 5.258 26.440 ( -0.007 -1.695 1.717) 2.413 26.995 ( 0.124 -0.561 -8.849) 8.867 27.097 ( 2.348 3.949 14.414) 15.128 27.859 ( -2.766 -2.258 -1.224) 3.775 28.216 ( -5.746 -6.598 -5.022) 10.088 28.488 ( -0.837 -2.736 -4.017) 4.932 28.707 ( -4.733 -11.238 -0.446) 12.202 29.125 ( 1.453 0.894 2.659) 3.160 29.466 ( 9.322 19.340 0.403) 21.473 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -15.311 14.175 12.306) 24.224 2.292 ( -1.315 19.354 2.689) 19.584 2.636 ( 1.380 8.464 10.298) 13.402 2.975 ( 3.898 -3.567 2.107) 5.688 3.090 ( -3.528 10.529 -9.646) 14.709 3.205 ( -1.215 6.006 -8.901) 10.807 3.431 ( 2.245 7.294 -4.420) 8.819 3.570 ( -1.301 -2.628 1.992) 3.545 3.775 ( 2.130 -5.146 -0.636) 5.605 3.809 ( -2.066 1.531 -2.696) 3.725 3.972 ( 0.594 2.803 -1.190) 3.102 4.100 ( 6.191 -0.846 3.900) 7.366 4.126 ( 3.709 -4.527 -6.061) 8.425 4.271 ( 4.377 -6.141 3.226) 8.202 4.344 ( -6.691 -6.791 2.846) 9.949 4.621 ( -4.936 -4.023 2.404) 6.807 4.794 ( 0.246 -2.364 2.627) 3.543 4.969 ( -5.398 -2.880 -1.736) 6.360 5.041 ( 0.175 17.674 0.986) 17.703 5.277 ( 3.441 6.675 -1.844) 7.733 5.356 ( 4.499 -0.505 2.740) 5.292 5.474 ( -2.875 -2.693 -0.034) 3.939 5.736 ( -5.514 9.734 -2.775) 11.526 5.871 ( 2.472 -2.453 6.631) 7.490 5.952 ( 9.749 5.244 -2.877) 11.438 6.150 ( -2.188 -2.669 -5.108) 6.164 6.236 ( -0.587 4.254 3.270) 5.397 6.377 ( 0.803 2.041 8.825) 9.093 6.475 ( 7.041 -0.037 -1.989) 7.317 6.671 ( 1.103 -0.863 -2.475) 2.844 6.747 ( 4.733 -5.220 -8.186) 10.801 6.936 ( -4.851 -2.736 0.784) 5.624 7.030 ( -7.274 -2.088 -9.899) 12.461 7.065 ( -0.337 -3.821 3.549) 5.225 7.308 ( -3.906 -2.271 2.343) 5.089 7.575 ( 6.860 -2.665 -2.653) 7.823 7.639 ( -10.864 2.441 8.478) 13.995 7.931 ( 6.760 -1.527 -0.581) 6.955 8.051 ( 0.799 -0.095 -0.331) 0.870 8.329 ( 2.834 -4.528 -2.077) 5.731 8.694 ( -2.815 -6.425 3.010) 7.633 8.998 ( 1.137 -1.413 -3.486) 3.930 9.127 ( 4.190 -6.184 -2.090) 7.757 9.188 ( 1.512 5.746 0.606) 5.972 9.294 ( -3.792 -0.665 1.910) 4.298 9.390 ( -2.882 -4.239 5.797) 7.738 9.690 ( -0.881 1.631 1.231) 2.226 9.914 ( -1.736 9.735 -0.193) 9.891 10.174 ( 3.386 -1.769 0.313) 3.833 10.557 ( -0.798 7.126 0.212) 7.174 10.765 ( -2.335 -0.542 0.670) 2.489 10.905 ( -4.154 1.454 0.122) 4.403 11.212 ( 5.949 2.311 -4.953) 8.079 11.386 ( 3.431 -4.555 3.299) 6.588 11.399 ( -3.052 -1.792 -2.048) 4.089 11.504 ( -3.697 -2.627 0.182) 4.539 11.622 ( 0.715 9.613 0.936) 9.685 11.892 ( 1.654 0.572 0.792) 1.921 11.967 ( -0.229 9.408 -0.721) 9.439 12.127 ( -1.620 -1.863 -2.068) 3.221 12.268 ( 1.024 -5.697 1.872) 6.083 12.428 ( 0.368 -1.504 -12.838) 12.931 12.761 ( 9.024 -9.706 3.773) 13.780 12.913 ( -2.415 -3.018 4.021) 5.577 14.663 ( -2.951 1.821 0.172) 3.472 14.796 ( 4.254 7.236 1.887) 8.603 14.894 ( 0.688 -2.690 -1.435) 3.126 15.075 ( -0.079 -7.022 0.105) 7.023 15.272 ( -2.215 0.588 -0.191) 2.300 15.300 ( -1.284 2.164 4.431) 5.095 15.425 ( 1.783 6.068 -1.753) 6.563 15.546 ( 4.935 -2.144 -7.639) 9.344 15.605 ( -0.528 -3.762 -0.911) 3.906 15.896 ( -6.644 -4.321 6.236) 10.085 16.081 ( -4.847 -3.881 6.735) 9.160 16.509 ( 3.020 1.840 -2.342) 4.242 16.833 ( -0.366 5.095 3.767) 6.346 17.056 ( -3.040 4.027 3.052) 5.897 17.481 ( 0.720 -1.963 -4.650) 5.098 17.662 ( 1.615 -6.464 -4.678) 8.141 25.558 ( -2.045 1.260 1.872) 3.046 25.647 ( -0.675 2.425 -0.066) 2.518 25.681 ( -0.210 3.259 -0.042) 3.266 25.719 ( 0.113 -0.772 0.766) 1.094 25.807 ( 0.372 -1.755 0.220) 1.807 26.241 ( 2.321 -0.292 -7.438) 7.797 26.407 ( 2.183 -0.677 8.308) 8.617 26.468 ( -0.684 -1.208 0.582) 1.505 26.902 ( -1.211 3.590 -8.979) 9.746 27.212 ( 3.520 -4.968 10.736) 12.343 27.874 ( 0.830 -1.471 -1.075) 2.002 28.257 ( -3.098 -4.617 -1.819) 5.850 28.499 ( 2.065 -0.303 -3.511) 4.084 28.838 ( -2.178 -6.369 -1.187) 6.835 29.015 ( -1.489 10.387 0.190) 10.495 29.312 ( -0.066 5.345 1.306) 5.503 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -18.189 18.059 17.537) 31.057 1.922 ( 0.654 27.991 14.436) 31.501 2.411 ( -2.839 23.475 7.799) 24.899 2.746 ( 3.784 23.146 -2.012) 23.539 3.076 ( -1.618 2.750 -9.830) 10.334 3.110 ( 7.554 -2.133 0.720) 7.882 3.295 ( 0.762 9.383 -5.451) 10.878 3.558 ( -2.332 2.762 -4.225) 5.560 3.720 ( -1.039 -0.002 3.004) 3.178 3.816 ( 3.084 11.825 1.791) 12.351 3.880 ( 2.753 5.494 -0.791) 6.196 4.093 ( -2.051 7.042 5.455) 9.141 4.136 ( -0.201 1.935 -6.566) 6.848 4.346 ( -5.117 4.753 4.100) 8.099 4.459 ( -0.081 -3.750 1.732) 4.131 4.579 ( 1.971 2.482 5.207) 6.095 4.863 ( -0.690 -7.615 -1.976) 7.898 4.890 ( -1.918 -0.547 0.687) 2.110 4.999 ( 0.831 -9.357 -8.135) 12.427 5.224 ( 0.127 -1.045 -7.306) 7.382 5.407 ( -2.763 3.126 -5.600) 6.983 5.507 ( -0.041 -5.474 6.550) 8.537 5.596 ( 4.001 2.939 5.227) 7.209 5.910 ( 4.921 0.806 -0.633) 5.027 5.999 ( 8.013 1.248 6.713) 10.528 6.147 ( -2.837 0.528 0.890) 3.019 6.228 ( -1.720 -2.448 3.806) 4.841 6.344 ( -3.203 1.146 2.343) 4.130 6.513 ( 7.812 2.339 -0.914) 8.206 6.644 ( 2.564 3.770 -2.094) 5.017 6.779 ( 5.819 3.182 -7.954) 10.356 6.881 ( -12.498 -1.224 -1.622) 12.662 6.994 ( 1.628 -0.841 -7.488) 7.709 7.162 ( -2.580 -6.856 -0.145) 7.327 7.280 ( -2.240 2.442 4.947) 5.954 7.540 ( -6.682 0.640 -2.466) 7.151 7.668 ( 1.154 -5.031 -4.580) 6.900 8.027 ( 3.951 -1.982 0.269) 4.429 8.066 ( 0.623 -0.950 2.995) 3.203 8.358 ( 0.234 -0.826 -8.487) 8.530 8.783 ( -1.863 -2.558 1.802) 3.641 9.034 ( 1.205 -4.075 -1.755) 4.598 9.102 ( 1.648 4.363 0.882) 4.746 9.219 ( 2.466 -1.037 -1.521) 3.077 9.341 ( -2.839 -4.790 8.310) 10.003 9.527 ( 1.284 -8.270 4.142) 9.338 9.603 ( -1.255 7.422 -1.895) 7.763 9.756 ( -0.767 7.902 4.647) 9.199 10.196 ( 1.357 1.853 0.784) 2.427 10.435 ( -0.754 6.674 2.036) 7.018 10.751 ( -3.069 -1.169 -3.218) 4.598 10.831 ( -3.630 3.873 1.890) 5.635 11.249 ( 8.829 -1.911 -3.221) 9.590 11.330 ( -4.876 4.329 -3.063) 7.204 11.364 ( -1.831 7.884 -0.102) 8.094 11.561 ( 2.789 -7.746 0.664) 8.259 11.666 ( 1.983 -5.720 5.715) 8.326 11.772 ( 2.049 8.874 -1.095) 9.173 11.888 ( -5.000 2.053 0.353) 5.417 12.132 ( -0.846 -2.351 -1.538) 2.934 12.268 ( -4.105 -1.515 -9.625) 10.573 12.527 ( 7.863 -6.543 -1.129) 10.291 12.927 ( -0.072 -5.714 1.118) 5.823 13.170 ( 12.395 -16.372 9.024) 22.430 14.625 ( -4.462 -0.180 3.184) 5.485 14.738 ( 4.233 4.226 1.450) 6.155 14.895 ( -1.741 1.518 -0.270) 2.326 15.155 ( -5.447 -3.951 -3.764) 7.710 15.222 ( -0.612 2.364 -0.111) 2.445 15.282 ( 0.865 -0.288 -3.174) 3.302 15.369 ( 2.173 2.463 5.281) 6.219 15.578 ( 3.555 -1.395 -6.533) 7.568 15.720 ( 5.962 -6.954 -2.693) 9.548 15.942 ( -6.672 -3.559 8.512) 11.385 16.137 ( -6.504 -3.986 5.917) 9.654 16.490 ( 2.979 1.467 -2.927) 4.427 16.740 ( -5.145 5.254 3.740) 8.250 16.976 ( -5.216 3.898 4.001) 7.643 17.480 ( 1.469 0.664 -4.069) 4.377 17.767 ( 1.747 -7.666 -9.389) 12.246 25.530 ( -1.712 1.622 1.889) 3.022 25.591 ( -0.868 3.079 1.272) 3.442 25.642 ( -0.008 1.438 0.997) 1.750 25.737 ( 0.385 -0.094 1.547) 1.597 25.827 ( 0.145 -0.437 -0.333) 0.569 26.221 ( 1.745 0.342 -7.111) 7.330 26.468 ( -0.758 0.043 -0.801) 1.104 26.497 ( 2.728 -1.652 10.958) 11.413 26.788 ( -1.842 3.540 -8.695) 9.567 27.378 ( -2.452 -9.087 3.400) 10.008 27.919 ( 4.152 -1.553 1.668) 4.736 28.332 ( 5.805 -3.562 4.981) 8.438 28.498 ( 5.438 1.421 -3.999) 6.898 28.706 ( 2.451 14.826 -2.734) 15.274 29.001 ( -8.105 -7.185 -0.755) 10.857 29.211 ( -6.891 4.106 -1.584) 8.177 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -16.873 20.092 23.514) 35.232 1.558 ( 3.515 29.142 23.119) 37.364 1.990 ( 8.694 33.238 21.928) 40.757 2.372 ( 4.135 25.440 5.841) 26.428 2.951 ( -9.962 1.853 -10.290) 14.441 3.036 ( 1.390 16.790 -8.435) 18.841 3.170 ( 8.099 6.260 2.443) 10.523 3.416 ( 2.934 14.599 -3.538) 15.306 3.549 ( 1.310 15.518 4.307) 16.158 3.692 ( -3.337 12.450 -1.092) 12.936 3.862 ( 3.677 -4.959 -0.408) 6.187 3.910 ( -4.268 9.560 4.019) 11.214 4.050 ( 1.834 2.383 5.404) 6.184 4.274 ( -7.054 -4.930 -4.447) 9.686 4.443 ( -3.298 3.995 -0.911) 5.260 4.667 ( 1.117 -4.123 -5.206) 6.734 4.810 ( -5.125 1.554 -3.099) 6.187 5.079 ( 2.269 -11.176 -2.962) 11.782 5.128 ( 2.376 -4.404 -7.943) 9.387 5.209 ( -6.638 -5.981 -3.772) 9.699 5.371 ( 7.316 -4.473 -4.410) 9.643 5.595 ( 5.574 2.727 10.750) 12.412 5.690 ( 1.007 -3.753 3.575) 5.280 5.981 ( 7.781 -4.472 -0.793) 9.009 6.022 ( -1.761 2.572 6.058) 6.813 6.129 ( -1.511 0.942 5.719) 5.990 6.241 ( -6.309 -1.051 6.283) 8.966 6.409 ( 0.373 -7.006 -5.387) 8.846 6.499 ( 4.839 3.945 2.722) 6.811 6.614 ( 2.346 0.284 -6.973) 7.363 6.658 ( 1.597 9.429 -2.447) 9.871 6.841 ( 1.474 -2.388 -3.906) 4.810 6.960 ( -1.225 1.252 0.581) 1.845 7.222 ( -6.332 -5.362 -5.540) 9.977 7.290 ( 1.325 -0.127 4.442) 4.637 7.505 ( 2.030 -2.752 -7.350) 8.107 7.734 ( -3.836 -6.254 -4.818) 8.777 7.986 ( -4.844 1.373 -7.686) 9.188 8.099 ( -0.560 3.186 1.149) 3.433 8.318 ( -0.390 -0.312 -5.137) 5.161 8.751 ( -1.152 3.867 0.998) 4.157 9.060 ( 1.405 0.805 -6.704) 6.897 9.118 ( 0.983 0.373 4.666) 4.783 9.196 ( -2.802 1.114 1.674) 3.449 9.420 ( -5.410 0.574 -1.604) 5.672 9.522 ( 9.316 -0.577 7.086) 11.719 9.592 ( -5.324 2.381 8.547) 10.347 9.762 ( -0.492 -5.798 4.217) 7.186 10.148 ( -1.734 3.861 2.213) 4.776 10.360 ( 1.107 4.095 3.274) 5.359 10.725 ( -0.524 0.162 -6.700) 6.722 10.746 ( -0.851 4.716 -0.427) 4.812 11.172 ( -3.320 8.216 -3.270) 9.445 11.242 ( -0.381 5.967 2.361) 6.429 11.355 ( 8.534 -3.646 -3.368) 9.872 11.664 ( -0.082 3.712 -0.877) 3.815 11.748 ( 3.733 -0.916 3.063) 4.915 11.756 ( 2.871 -6.085 1.299) 6.852 11.880 ( -2.116 -6.949 3.736) 8.169 12.190 ( 0.792 -4.565 1.792) 4.967 12.212 ( -2.796 -0.416 -8.501) 8.959 12.682 ( 7.938 -4.128 2.016) 9.172 13.013 ( -1.134 -3.806 0.686) 4.030 13.599 ( 7.067 -18.247 7.384) 20.915 14.642 ( -6.216 -4.089 7.461) 10.537 14.728 ( -2.395 -1.444 -0.510) 2.842 14.843 ( -1.074 2.408 0.532) 2.690 15.073 ( -5.128 4.090 -6.116) 8.968 15.198 ( 4.067 1.465 1.007) 4.439 15.282 ( 2.330 1.270 -2.667) 3.762 15.442 ( -0.620 -7.193 3.818) 8.167 15.583 ( 2.092 -0.053 -5.903) 6.263 15.818 ( 0.730 -1.657 -1.798) 2.551 16.057 ( 7.316 -6.675 7.660) 12.520 16.166 ( -4.716 -2.543 4.415) 6.942 16.476 ( -3.591 -0.588 -1.055) 3.788 16.623 ( -8.816 4.652 4.475) 10.926 16.887 ( -4.522 4.720 4.551) 7.965 17.449 ( 2.760 2.071 -4.805) 5.915 17.807 ( 1.323 -1.598 -16.035) 16.169 25.495 ( -0.487 2.198 1.253) 2.576 25.549 ( -0.275 2.246 1.135) 2.531 25.654 ( -1.658 -1.603 5.497) 5.962 25.741 ( -0.101 0.723 1.667) 1.819 25.822 ( 0.344 0.800 0.114) 0.878 26.189 ( 1.660 1.065 -6.466) 6.760 26.438 ( -1.732 1.083 -2.260) 3.047 26.574 ( 1.218 3.409 1.468) 3.906 26.717 ( -0.357 -3.035 3.260) 4.468 27.463 ( -13.226 -8.117 -4.512) 16.161 27.978 ( -2.653 -2.475 2.135) 4.210 28.431 ( 0.094 9.707 -5.545) 11.179 28.450 ( 4.047 1.743 4.117) 6.031 28.630 ( 4.014 3.551 6.463) 8.396 28.937 ( 12.273 0.018 -7.582) 14.426 29.172 ( -0.601 -4.138 1.097) 4.323 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 27.668 -0.000 10.307) 29.526 1.744 ( 14.635 -0.000 22.215) 26.603 1.875 ( 0.394 -0.000 -1.032) 1.105 2.281 ( -3.941 0.000 -6.854) 7.907 2.398 ( -16.292 0.000 13.620) 21.235 2.938 ( 13.634 -0.000 2.379) 13.840 2.965 ( -11.512 0.000 -3.239) 11.959 3.273 ( -3.306 0.000 8.217) 8.857 3.300 ( 16.665 -0.000 24.976) 30.026 3.563 ( 11.855 -0.000 -4.021) 12.518 3.611 ( 1.230 -0.000 -20.276) 20.313 3.949 ( -0.165 0.000 -6.442) 6.444 4.107 ( 3.916 -0.000 21.738) 22.087 4.221 ( -11.085 0.000 -12.454) 16.672 4.388 ( 1.423 -0.000 0.744) 1.606 4.535 ( -3.382 0.000 3.145) 4.618 4.629 ( 1.288 -0.000 -2.796) 3.079 4.953 ( -6.677 0.000 -8.935) 11.154 4.978 ( -6.580 0.000 -6.986) 9.597 5.413 ( -9.461 0.000 -5.210) 10.801 5.475 ( 6.813 -0.000 9.179) 11.431 5.698 ( -3.576 0.000 6.174) 7.135 5.762 ( -1.953 0.000 -8.967) 9.177 5.963 ( 6.704 -0.000 3.666) 7.641 6.147 ( -1.444 0.000 3.304) 3.606 6.177 ( -7.418 0.000 -6.098) 9.603 6.310 ( -4.453 0.000 5.446) 7.035 6.350 ( 2.328 -0.000 -6.934) 7.314 6.473 ( 9.472 -0.000 3.401) 10.065 6.577 ( 8.197 -0.000 5.708) 9.989 6.684 ( 0.720 -0.000 1.007) 1.238 6.817 ( -7.708 0.000 -13.886) 15.881 7.037 ( -5.899 0.000 -5.939) 8.371 7.279 ( 1.777 -0.000 5.923) 6.184 7.333 ( 0.085 -0.000 -3.458) 3.459 7.458 ( 7.076 -0.000 -3.485) 7.888 7.729 ( 2.162 -0.000 2.461) 3.276 7.955 ( -7.826 0.000 -0.216) 7.829 7.969 ( -8.184 0.000 -7.508) 11.106 8.010 ( 3.575 -0.000 4.765) 5.957 8.666 ( -2.991 0.000 2.088) 3.647 8.864 ( -3.441 0.000 -6.608) 7.450 8.965 ( -2.067 0.000 6.458) 6.780 9.103 ( -3.332 0.000 1.020) 3.485 9.367 ( -6.877 0.000 3.545) 7.737 9.538 ( 5.549 -0.000 -0.211) 5.553 9.759 ( 0.434 -0.000 -1.496) 1.558 9.971 ( -0.760 0.000 1.442) 1.630 10.233 ( -3.411 0.000 -2.751) 4.382 10.419 ( 2.997 -0.000 5.327) 6.112 10.544 ( 6.482 -0.000 4.941) 8.150 10.697 ( 7.600 -0.000 -4.897) 9.041 10.922 ( -0.870 0.000 -5.618) 5.685 11.321 ( 3.005 -0.000 9.003) 9.491 11.476 ( 3.475 -0.000 -2.282) 4.158 11.506 ( -3.773 0.000 -1.581) 4.091 11.868 ( 4.203 -0.000 4.390) 6.078 11.875 ( -7.041 0.000 0.724) 7.078 11.942 ( -4.538 0.000 -6.205) 7.688 12.124 ( 5.823 -0.000 2.690) 6.414 12.396 ( -13.199 0.000 3.444) 13.641 12.626 ( -10.320 0.000 3.299) 10.834 12.921 ( -8.001 0.000 2.355) 8.340 13.369 ( -6.727 0.000 5.387) 8.618 14.706 ( -1.999 0.000 3.674) 4.183 14.744 ( -0.613 0.000 -1.616) 1.729 14.971 ( -11.317 0.000 0.058) 11.317 14.998 ( 4.355 -0.000 1.866) 4.738 15.312 ( 4.701 -0.000 -1.010) 4.809 15.468 ( 6.752 -0.000 -4.849) 8.313 15.540 ( 12.488 -0.000 -10.928) 16.594 15.667 ( -5.124 0.000 0.640) 5.164 15.697 ( 0.898 -0.000 1.844) 2.051 16.008 ( -9.384 0.000 -1.613) 9.521 16.218 ( -1.778 0.000 -0.894) 1.990 16.223 ( -7.021 0.000 9.447) 11.770 16.865 ( 5.853 -0.000 3.151) 6.647 17.367 ( 22.860 -0.000 -16.693) 28.306 17.494 ( 3.204 -0.000 1.851) 3.700 17.500 ( 1.641 -0.000 0.253) 1.660 25.498 ( 0.656 -0.000 0.288) 0.717 25.540 ( 1.596 -0.000 0.014) 1.596 25.617 ( -1.906 0.000 2.270) 2.964 25.717 ( -1.232 0.000 0.774) 1.454 25.957 ( -1.323 0.000 5.022) 5.194 26.189 ( -1.632 0.000 -4.564) 4.846 26.276 ( 3.819 -0.000 5.752) 6.904 26.386 ( 0.533 -0.000 -1.507) 1.598 27.027 ( -10.316 0.000 3.999) 11.064 27.296 ( 7.502 -0.000 9.695) 12.258 27.589 ( -7.029 0.000 3.902) 8.040 28.054 ( -2.410 0.000 -0.342) 2.434 28.195 ( -0.388 0.000 -1.126) 1.191 28.395 ( -12.926 0.000 -6.426) 14.436 28.959 ( 5.478 -0.000 -3.744) 6.635 30.535 ( 21.526 -0.000 -14.697) 26.065 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -3.182 -9.930 -10.224) 14.604 1.922 ( 19.596 -5.115 15.901) 25.749 2.108 ( 12.910 -12.012 12.153) 21.416 2.381 ( -0.533 -14.521 -5.715) 15.614 2.586 ( -4.407 -22.346 18.521) 29.357 2.913 ( -9.650 -6.978 -7.670) 14.165 3.065 ( 6.970 -5.614 -1.541) 9.081 3.314 ( -4.206 -3.434 7.048) 8.897 3.459 ( -2.434 -0.609 3.170) 4.043 3.537 ( 3.243 -1.999 -4.897) 6.204 3.708 ( 9.310 -4.384 -4.371) 11.180 4.032 ( -1.493 -2.034 -6.417) 6.895 4.101 ( -3.105 -9.354 -5.400) 11.238 4.270 ( 1.616 0.862 9.534) 9.708 4.327 ( -1.949 3.626 8.934) 9.837 4.545 ( -1.706 -1.753 1.874) 3.081 4.628 ( 6.723 4.990 -2.677) 8.790 4.814 ( -0.324 -0.931 2.048) 2.273 4.960 ( -4.375 -3.263 -6.360) 8.381 5.284 ( -10.800 1.887 -5.691) 12.352 5.534 ( -1.832 5.074 -4.545) 7.054 5.567 ( 7.792 3.452 9.970) 13.117 5.891 ( 0.652 -4.727 -4.585) 6.618 5.958 ( 2.012 4.395 7.441) 8.873 6.096 ( -7.166 -1.751 -6.270) 9.682 6.172 ( -1.382 -1.281 1.862) 2.649 6.251 ( 0.672 1.900 -1.334) 2.416 6.414 ( 1.690 -5.251 -2.987) 6.273 6.518 ( 3.979 4.201 -0.976) 5.868 6.613 ( 0.819 3.994 -2.976) 5.047 6.669 ( 1.354 -2.667 7.909) 8.456 6.752 ( 1.066 1.446 -1.800) 2.543 6.969 ( -6.530 -0.976 -7.258) 9.812 7.198 ( -0.462 10.530 -2.265) 10.781 7.308 ( -0.772 1.835 -1.426) 2.448 7.493 ( 2.810 1.681 -1.472) 3.590 7.696 ( -1.087 1.740 -0.085) 2.053 7.898 ( -6.417 -2.820 3.385) 7.784 7.958 ( -0.854 -0.976 2.052) 2.428 8.045 ( 3.392 -0.710 -0.718) 3.539 8.652 ( -4.503 0.141 1.860) 4.874 8.861 ( -3.488 -5.578 -3.354) 7.384 8.970 ( -3.007 0.778 5.446) 6.270 9.126 ( -3.714 -4.211 2.999) 6.366 9.357 ( -3.779 -1.783 3.877) 5.700 9.497 ( 3.020 5.675 -2.782) 7.005 9.810 ( 1.427 -2.755 0.024) 3.102 9.936 ( 0.953 4.668 0.243) 4.771 10.145 ( -1.441 0.987 -2.063) 2.703 10.503 ( 3.829 -3.013 3.253) 5.858 10.657 ( 3.950 -3.008 0.503) 4.991 10.814 ( 5.744 -8.731 -8.864) 13.704 10.908 ( 1.072 -2.669 -1.155) 3.100 11.414 ( 3.842 -2.649 4.587) 6.544 11.492 ( -1.337 -1.003 1.019) 1.957 11.507 ( 3.386 -2.640 -1.840) 4.671 11.774 ( -3.976 4.588 -1.044) 6.160 11.839 ( -5.110 4.072 -1.973) 6.825 11.963 ( 1.682 -4.002 -0.650) 4.390 12.146 ( 5.487 5.392 7.325) 10.622 12.355 ( -6.274 -2.966 3.022) 7.569 12.589 ( -13.910 -4.535 -0.264) 14.633 12.810 ( -9.690 4.480 -3.360) 11.192 13.312 ( -5.121 4.866 4.360) 8.301 14.669 ( -0.915 1.948 3.470) 4.084 14.802 ( 0.418 -3.225 -0.433) 3.281 14.814 ( -7.087 3.875 -0.364) 8.085 15.099 ( 0.125 -3.058 0.442) 3.093 15.224 ( 3.577 9.136 -0.129) 9.813 15.474 ( 8.665 3.123 -3.886) 9.997 15.588 ( 5.615 -0.485 -6.850) 8.871 15.606 ( -2.518 2.165 1.280) 3.559 15.722 ( 4.628 0.824 -1.563) 4.954 15.966 ( -11.915 -2.827 1.695) 12.363 16.119 ( -3.363 4.625 2.930) 6.426 16.325 ( -3.336 -7.200 4.375) 9.061 16.911 ( 9.945 2.817 1.581) 10.457 17.334 ( 13.204 8.788 -0.951) 15.889 17.488 ( 2.780 0.436 -4.346) 5.177 17.593 ( -0.228 -2.745 -2.899) 3.999 25.510 ( 0.800 -0.888 0.158) 1.205 25.566 ( 1.222 -1.469 -0.573) 1.995 25.633 ( -1.055 -1.845 2.397) 3.203 25.717 ( -1.563 -0.683 0.974) 1.964 25.948 ( -1.143 2.127 2.988) 3.842 26.173 ( -1.592 -2.011 -4.138) 4.869 26.340 ( 3.706 -0.953 4.441) 5.862 26.379 ( 0.664 0.813 -1.206) 1.599 26.964 ( -6.144 0.856 1.405) 6.361 27.363 ( 6.843 3.653 11.603) 13.957 27.667 ( -6.118 -9.273 3.052) 11.521 28.013 ( -5.937 0.504 -4.146) 7.259 28.194 ( -5.687 -3.764 -2.726) 7.345 28.322 ( -6.149 -5.840 -5.670) 10.201 29.007 ( 7.387 -0.420 1.003) 7.467 30.480 ( 16.442 15.101 -10.217) 24.551 ======================= Grid point 107 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -4.542 -14.151 1.906) 14.984 2.269 ( 19.041 -5.865 11.330) 22.920 2.404 ( 2.207 -9.135 4.749) 10.529 2.643 ( 1.565 -17.783 -4.833) 18.494 2.935 ( -5.827 -8.565 -10.094) 14.464 3.065 ( 0.308 -24.976 5.033) 25.480 3.250 ( 2.030 -11.999 1.291) 12.238 3.353 ( -4.384 -2.821 1.460) 5.414 3.438 ( -5.182 -6.980 -2.651) 9.089 3.646 ( 1.495 -4.567 9.705) 10.830 3.825 ( 5.032 -3.561 -6.994) 9.323 3.914 ( -6.969 -0.402 -6.668) 9.654 4.133 ( -4.422 1.799 -8.889) 10.090 4.221 ( -5.048 9.553 1.207) 10.872 4.325 ( -3.193 1.396 8.929) 9.585 4.526 ( 0.764 0.696 -1.770) 2.050 4.640 ( 3.714 -9.819 1.468) 10.600 4.933 ( -4.604 -0.905 -2.513) 5.323 5.104 ( 2.206 -7.280 -1.352) 7.726 5.218 ( 11.017 -4.778 9.211) 15.134 5.478 ( 0.199 -0.934 0.058) 0.956 5.594 ( 8.037 3.600 6.502) 10.947 5.829 ( 1.716 6.537 1.199) 6.864 5.953 ( 0.017 3.681 1.198) 3.871 6.089 ( -3.682 -5.296 -4.055) 7.619 6.183 ( 0.781 -2.112 -0.743) 2.371 6.248 ( 1.255 0.856 -1.724) 2.298 6.404 ( -1.890 6.602 -6.624) 9.541 6.471 ( 1.649 -1.112 -4.605) 5.016 6.558 ( -2.584 1.055 -4.913) 5.650 6.696 ( -6.033 -2.699 0.913) 6.672 6.820 ( 4.074 0.127 11.451) 12.155 6.902 ( -3.525 -0.067 -6.270) 7.194 7.006 ( 1.530 6.613 -1.960) 7.065 7.230 ( -3.776 3.948 -3.098) 6.280 7.450 ( 2.363 1.905 -2.721) 4.076 7.709 ( 0.389 0.262 6.909) 6.924 7.908 ( 1.084 -1.210 3.612) 3.960 8.033 ( -2.393 -4.299 3.087) 5.808 8.078 ( -0.785 -2.646 -1.810) 3.300 8.609 ( -6.247 0.439 1.182) 6.373 8.905 ( -3.876 -1.059 1.519) 4.296 8.982 ( 0.356 -3.589 1.926) 4.088 9.179 ( -4.005 -2.335 4.623) 6.548 9.376 ( -0.107 1.842 0.627) 1.949 9.447 ( -1.199 -3.340 -1.508) 3.856 9.759 ( 0.647 9.299 -0.312) 9.327 9.929 ( 1.362 -4.364 -1.812) 4.918 10.158 ( 1.082 -1.436 -2.012) 2.698 10.602 ( 1.605 -4.365 2.604) 5.330 10.729 ( 6.243 -0.195 3.272) 7.051 10.828 ( -2.406 -3.320 -12.455) 13.113 11.089 ( 7.798 -7.485 4.542) 11.725 11.454 ( 3.512 1.255 -4.778) 6.061 11.504 ( -2.139 -0.684 1.697) 2.815 11.615 ( 0.896 0.300 -0.106) 0.951 11.661 ( 1.556 -1.183 -5.171) 5.528 11.752 ( -1.620 1.396 2.917) 3.617 12.021 ( 0.686 -2.724 -2.787) 3.957 12.126 ( 4.212 6.027 8.781) 11.453 12.397 ( 0.516 -2.403 2.034) 3.191 12.521 ( -8.430 1.101 -8.266) 11.858 12.642 ( -13.927 1.008 -0.411) 13.969 13.157 ( -8.026 9.747 2.690) 12.909 14.675 ( 0.758 -0.549 1.752) 1.986 14.710 ( -3.966 0.646 -0.102) 4.020 14.889 ( -0.600 -4.340 2.025) 4.826 15.026 ( 2.808 7.532 -0.346) 8.046 15.195 ( 1.716 0.511 -1.377) 2.259 15.479 ( 7.032 2.096 -1.802) 7.556 15.565 ( -0.027 1.502 2.903) 3.269 15.582 ( -0.899 0.789 -4.762) 4.910 15.714 ( 4.997 3.253 -4.254) 7.324 15.899 ( -11.399 1.207 2.834) 11.808 16.047 ( -3.169 2.976 4.343) 6.145 16.432 ( -2.244 -5.606 3.079) 6.778 16.961 ( 13.995 3.262 2.958) 14.671 17.298 ( 7.589 6.684 3.042) 10.560 17.451 ( -2.101 1.604 -6.380) 6.906 17.581 ( -1.480 0.255 -1.618) 2.207 25.543 ( 0.984 -1.962 0.597) 2.275 25.593 ( 0.313 -1.419 -0.628) 1.583 25.677 ( -0.345 -2.697 1.268) 3.000 25.721 ( -1.834 -0.675 1.263) 2.327 25.900 ( -1.185 3.461 0.315) 3.672 26.185 ( -0.642 -2.706 -4.360) 5.171 26.362 ( -0.085 0.272 0.373) 0.469 26.405 ( 3.577 -0.246 3.938) 5.326 26.928 ( -2.869 -1.010 -2.139) 3.718 27.371 ( 3.533 8.536 11.534) 14.778 27.742 ( -5.224 -4.700 -1.687) 7.227 27.972 ( -7.227 -6.920 -4.859) 11.123 28.263 ( -3.328 -9.199 -0.694) 9.807 28.384 ( -2.377 -6.966 -3.289) 8.062 29.085 ( 5.361 -1.183 3.981) 6.782 30.235 ( 12.555 22.254 -6.422) 26.345 ======================= Grid point 108 (46/140) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -4.904 -2.333 10.612) 11.921 2.495 ( 7.293 -3.927 3.337) 8.930 2.529 ( 0.017 -9.290 0.651) 9.313 2.782 ( -5.280 -2.696 -1.501) 6.116 3.062 ( 3.611 -14.472 -12.211) 19.277 3.371 ( -2.503 -10.976 -1.141) 11.315 3.407 ( -4.379 -5.369 -15.217) 16.720 3.435 ( 2.777 -6.704 7.214) 10.232 3.622 ( -0.075 -16.229 8.945) 18.531 3.690 ( -1.254 9.775 -6.427) 11.766 3.811 ( -1.070 -4.199 6.647) 7.934 3.914 ( 1.428 -4.679 -1.484) 5.113 4.067 ( -6.469 -3.966 0.010) 7.588 4.161 ( 5.200 -0.359 -0.448) 5.231 4.255 ( -1.819 3.390 -2.256) 4.460 4.483 ( -5.886 0.321 1.555) 6.097 4.845 ( -1.323 -1.786 -1.610) 2.744 4.906 ( -0.599 -1.809 2.379) 3.048 5.157 ( 1.689 -8.675 4.345) 9.848 5.360 ( 4.184 1.914 -2.382) 5.181 5.457 ( 0.001 5.068 -1.340) 5.242 5.735 ( 6.675 4.443 7.397) 10.909 5.785 ( 1.491 2.594 -0.281) 3.005 5.926 ( 9.296 -2.181 4.752) 10.665 6.116 ( -6.087 -0.556 -3.732) 7.161 6.171 ( -0.441 3.371 -8.920) 9.546 6.268 ( 3.648 1.239 5.880) 7.030 6.320 ( 3.726 -9.249 -5.027) 11.167 6.422 ( -0.017 4.955 3.652) 6.156 6.518 ( -7.328 -5.045 -7.377) 11.557 6.689 ( 0.108 4.024 -0.943) 4.134 6.792 ( 1.290 -2.584 -2.694) 3.950 6.947 ( -3.478 -3.568 -0.867) 5.058 7.017 ( 2.687 -1.459 5.665) 6.437 7.126 ( -5.105 0.307 -2.674) 5.771 7.481 ( 4.624 -2.290 0.629) 5.198 7.743 ( -0.596 0.608 7.672) 7.719 7.943 ( -2.443 0.131 2.391) 3.421 8.052 ( -2.233 -0.558 -0.264) 2.317 8.129 ( 0.874 -4.801 -1.073) 4.997 8.570 ( -6.140 -1.121 1.760) 6.485 8.900 ( -0.084 -1.551 0.464) 1.621 9.071 ( 2.687 -2.640 2.565) 4.557 9.175 ( -2.429 0.594 2.499) 3.535 9.323 ( -4.331 1.349 0.708) 4.591 9.549 ( -0.759 -7.777 0.984) 7.875 9.586 ( 1.279 11.050 -1.696) 11.253 10.031 ( 1.898 -6.200 -0.443) 6.499 10.143 ( 0.468 3.029 -2.009) 3.665 10.678 ( 0.464 -2.012 0.471) 2.117 10.748 ( 0.011 0.496 -3.582) 3.616 10.862 ( 2.261 -4.032 -0.573) 4.658 11.252 ( 4.458 -3.277 6.998) 8.922 11.385 ( 4.236 6.639 -4.981) 9.318 11.464 ( -2.717 4.949 -0.603) 5.678 11.508 ( -3.429 2.415 1.007) 4.313 11.765 ( 0.260 -6.587 -2.852) 7.183 11.831 ( 8.441 -3.886 -3.185) 9.823 12.030 ( 0.471 -0.006 -3.404) 3.437 12.089 ( 0.939 5.051 5.632) 7.624 12.391 ( -6.116 0.765 -9.024) 10.928 12.448 ( 8.003 2.144 1.884) 8.497 12.568 ( -8.175 -1.930 0.211) 8.403 12.929 ( -11.944 7.192 1.570) 14.030 14.685 ( -0.680 -1.642 -2.273) 2.886 14.736 ( 0.489 -2.950 1.151) 3.204 14.910 ( -0.916 1.675 5.481) 5.804 15.009 ( 1.422 -2.386 -4.400) 5.203 15.190 ( 3.831 0.975 2.352) 4.599 15.454 ( 3.016 4.576 -4.198) 6.904 15.528 ( -1.264 1.284 -2.553) 3.125 15.588 ( 1.587 -0.485 3.971) 4.303 15.625 ( -4.362 5.567 -3.457) 7.872 15.825 ( -3.298 1.196 2.240) 4.163 16.019 ( -3.111 0.480 6.023) 6.796 16.499 ( -0.937 -2.799 1.106) 3.153 17.022 ( 11.553 5.317 4.168) 13.383 17.240 ( 2.621 6.728 2.657) 7.693 17.375 ( -4.398 -1.133 -5.222) 6.921 17.572 ( 0.176 -0.673 -1.638) 1.780 25.579 ( -0.409 -0.727 0.987) 1.292 25.621 ( 1.262 -2.105 -0.085) 2.455 25.709 ( -2.000 -0.837 0.119) 2.171 25.732 ( -0.320 -1.830 0.731) 1.996 25.824 ( -0.874 4.175 -1.150) 4.418 26.205 ( 0.819 -2.192 -4.922) 5.449 26.379 ( 0.240 -1.067 3.730) 3.887 26.440 ( 1.438 0.297 2.971) 3.314 26.923 ( -0.947 -2.322 -8.213) 8.588 27.266 ( -1.398 8.665 8.809) 12.435 27.782 ( -0.937 -4.329 -1.050) 4.552 28.055 ( -2.831 -7.434 1.213) 8.046 28.387 ( -0.880 -6.936 -1.483) 7.147 28.490 ( -2.248 -10.111 -1.653) 10.489 29.151 ( 1.739 -0.644 3.811) 4.239 29.897 ( 7.952 24.120 -4.683) 25.825 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -9.726 11.278 9.584) 17.710 2.530 ( 2.822 5.870 1.508) 6.686 2.715 ( -2.216 -4.921 7.485) 9.228 2.815 ( -2.611 -8.253 1.045) 8.720 3.187 ( 3.422 -1.279 -9.682) 10.349 3.274 ( 1.569 8.325 -10.650) 13.608 3.462 ( -3.416 -4.294 -5.344) 7.660 3.529 ( -2.318 1.315 -1.041) 2.861 3.629 ( 5.422 -9.076 -0.423) 10.581 3.853 ( 0.977 -1.190 1.871) 2.423 3.903 ( -1.170 -5.599 2.272) 6.155 4.036 ( 1.817 -7.698 -1.158) 7.994 4.123 ( -0.642 -4.649 0.843) 4.768 4.186 ( -1.498 -7.031 6.430) 9.645 4.268 ( 7.480 1.287 -1.270) 7.695 4.484 ( -7.031 -5.263 1.932) 8.992 4.809 ( 1.574 1.219 0.613) 2.083 4.903 ( -5.205 -0.128 -0.469) 5.228 5.266 ( 2.408 8.826 -3.920) 9.953 5.360 ( -2.588 1.109 0.881) 2.951 5.396 ( 0.391 -4.582 7.258) 8.593 5.538 ( 3.479 14.458 -4.207) 15.454 5.816 ( -2.530 4.749 -3.957) 6.679 5.858 ( -5.365 1.349 1.375) 5.701 6.061 ( -0.228 3.014 -3.506) 4.629 6.156 ( 10.737 0.927 3.245) 11.255 6.324 ( 1.221 2.250 0.981) 2.742 6.421 ( -6.761 -0.994 2.244) 7.193 6.485 ( 8.004 -6.382 2.595) 10.560 6.586 ( 1.801 -8.124 -3.019) 8.852 6.658 ( 5.268 -1.048 -2.958) 6.132 6.867 ( -0.308 -5.253 -2.029) 5.640 6.895 ( -7.712 0.704 -3.996) 8.715 7.086 ( 5.178 0.743 5.533) 7.615 7.166 ( -4.068 -8.336 -0.866) 9.316 7.562 ( 2.216 -2.975 -0.172) 3.714 7.697 ( -8.104 6.655 8.805) 13.692 7.925 ( 1.593 -1.816 -3.160) 3.978 8.045 ( -0.702 -0.393 -2.098) 2.246 8.229 ( 0.563 -6.219 -2.249) 6.637 8.580 ( -4.421 -4.268 2.169) 6.517 8.973 ( 3.579 -4.377 0.278) 5.661 9.107 ( 5.251 0.854 -0.510) 5.344 9.200 ( -1.385 -2.540 3.640) 4.649 9.298 ( -6.450 -3.280 4.362) 8.449 9.411 ( 1.444 10.709 0.349) 10.812 9.661 ( -0.873 -4.878 1.078) 5.072 10.046 ( -0.274 6.943 -1.438) 7.095 10.140 ( 1.395 -4.376 0.825) 4.667 10.665 ( 0.985 3.958 -0.130) 4.081 10.716 ( -2.842 -0.771 -5.671) 6.390 10.924 ( 1.559 0.283 3.787) 4.105 11.295 ( 5.338 4.449 -3.133) 7.622 11.345 ( -1.129 -1.540 3.995) 4.428 11.403 ( 2.645 0.508 2.780) 3.871 11.455 ( -4.643 0.967 0.633) 4.785 11.778 ( 1.076 5.956 -4.800) 7.724 11.889 ( 3.986 -1.822 -1.986) 4.812 12.032 ( -4.505 1.418 -0.684) 4.772 12.075 ( 1.658 -3.640 0.506) 4.032 12.272 ( -5.707 5.233 -8.798) 11.720 12.388 ( 5.781 5.504 -6.175) 10.092 12.671 ( 4.486 -9.418 2.860) 10.817 12.843 ( -6.717 -4.133 6.140) 9.995 14.682 ( -0.124 1.173 -0.467) 1.268 14.798 ( -1.004 -4.434 -1.746) 4.870 14.931 ( 0.273 -0.322 4.057) 4.079 15.004 ( 3.753 0.429 -5.104) 6.350 15.246 ( -3.649 -0.920 5.175) 6.399 15.366 ( 1.471 3.751 -2.953) 4.995 15.475 ( -2.344 2.534 -2.196) 4.091 15.510 ( -0.166 0.785 -3.433) 3.526 15.623 ( 4.446 0.981 2.560) 5.223 15.822 ( -3.477 -1.780 3.691) 5.374 16.035 ( -3.696 -1.530 6.617) 7.732 16.526 ( 0.479 -0.714 -0.715) 1.118 16.963 ( 0.806 8.371 1.957) 8.635 17.149 ( -0.637 6.494 2.531) 6.999 17.408 ( 2.544 -4.775 -3.171) 6.271 17.587 ( 0.750 -2.118 -2.788) 3.581 25.572 ( -1.232 0.948 1.392) 2.087 25.667 ( 1.354 -0.476 0.110) 1.439 25.701 ( -1.617 -0.953 0.762) 2.025 25.730 ( -0.813 2.620 -2.175) 3.501 25.782 ( 0.202 -0.935 0.947) 1.346 26.217 ( 1.836 -0.906 -5.255) 5.639 26.427 ( -0.715 -2.293 1.945) 3.091 26.461 ( 1.045 -0.001 6.370) 6.455 26.878 ( -1.208 0.781 -12.728) 12.809 27.208 ( -3.325 0.498 6.775) 7.563 27.853 ( 2.306 -2.935 1.995) 4.232 28.173 ( 1.566 -5.908 5.332) 8.111 28.464 ( 1.770 -3.547 -2.422) 4.645 28.650 ( -2.082 -10.943 -0.802) 11.168 29.146 ( -1.327 3.896 1.044) 4.246 29.540 ( 2.443 20.233 -3.776) 20.726 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -8.680 15.624 13.067) 22.140 2.380 ( 2.101 17.227 9.674) 19.869 2.667 ( -4.651 7.418 4.785) 9.977 2.947 ( -4.105 -1.592 -3.908) 5.887 3.112 ( 5.123 2.659 -1.994) 6.107 3.141 ( 7.406 8.262 -3.393) 11.602 3.433 ( 4.831 4.605 -4.886) 8.272 3.513 ( -4.189 -1.491 -1.850) 4.816 3.772 ( -0.318 1.100 -0.119) 1.151 3.814 ( 2.916 -3.139 -3.115) 5.298 3.988 ( -1.274 -4.170 -0.000) 4.361 4.073 ( 2.509 3.140 -2.408) 4.685 4.245 ( -0.875 4.397 6.357) 7.779 4.314 ( -0.288 -11.513 1.564) 11.622 4.355 ( 0.420 -5.256 6.188) 8.130 4.541 ( -2.492 -6.622 -2.742) 7.588 4.844 ( -6.562 0.264 -4.150) 7.769 4.870 ( 5.999 -3.898 0.499) 7.172 5.029 ( -0.947 17.548 -1.000) 17.602 5.214 ( -4.891 6.138 -7.211) 10.658 5.391 ( -2.720 0.227 2.164) 3.483 5.509 ( 3.540 3.588 5.145) 7.203 5.672 ( 2.619 0.179 -0.299) 2.642 5.944 ( 0.575 -4.988 5.887) 7.737 5.987 ( -1.376 1.000 -6.877) 7.084 6.205 ( 4.718 3.866 4.068) 7.332 6.297 ( 1.602 4.849 6.988) 8.656 6.350 ( -9.156 0.777 -1.536) 9.317 6.591 ( 3.700 0.903 2.394) 4.498 6.688 ( 8.844 -3.333 -10.772) 14.330 6.746 ( 0.514 -4.253 -3.281) 5.396 6.791 ( -4.672 1.319 2.060) 5.273 6.948 ( -0.698 -4.445 -2.541) 5.167 7.115 ( 4.749 2.688 0.520) 5.481 7.261 ( -1.119 -4.821 1.206) 5.094 7.514 ( -10.256 4.191 1.764) 11.219 7.621 ( 2.099 0.384 -2.346) 3.171 7.986 ( -0.617 -3.516 -3.426) 4.947 8.051 ( 0.725 -2.844 -0.028) 2.935 8.276 ( -2.008 -2.630 -6.881) 7.635 8.670 ( -2.790 -7.965 2.094) 8.696 9.038 ( 4.644 1.005 0.897) 4.835 9.171 ( 3.640 -3.941 -4.451) 6.970 9.233 ( -0.723 2.991 6.198) 6.920 9.287 ( -0.776 1.464 4.067) 4.392 9.394 ( -3.204 -8.429 5.970) 10.814 9.677 ( -1.738 2.407 -0.565) 3.022 9.916 ( 1.099 8.111 1.802) 8.381 10.197 ( -1.341 -1.669 0.610) 2.226 10.575 ( 0.536 7.442 2.567) 7.891 10.693 ( 0.127 -1.392 -5.373) 5.552 10.905 ( 0.007 4.275 2.762) 5.090 11.291 ( 7.140 1.079 -1.219) 7.323 11.355 ( -1.008 2.942 -0.195) 3.116 11.429 ( -0.466 -5.845 1.755) 6.121 11.454 ( -1.602 0.739 -1.993) 2.662 11.678 ( 0.614 3.023 6.197) 6.922 11.893 ( -0.476 3.164 -2.623) 4.137 11.940 ( -1.047 6.573 -2.282) 7.036 12.077 ( -2.168 1.052 -4.472) 5.080 12.149 ( -3.865 -3.342 -5.997) 7.879 12.424 ( 7.277 -7.070 -9.594) 13.964 12.838 ( -3.689 -6.380 7.726) 10.677 13.035 ( 6.394 -13.452 7.761) 16.794 14.646 ( -0.416 2.763 1.457) 3.151 14.809 ( -2.135 1.828 -1.163) 3.042 14.943 ( 4.285 1.378 2.155) 4.990 15.039 ( -1.933 -3.618 -3.566) 5.435 15.179 ( -6.098 0.227 -2.473) 6.584 15.301 ( -0.724 3.715 -0.301) 3.797 15.461 ( 1.697 1.748 0.478) 2.483 15.546 ( 3.600 -4.441 -5.523) 7.949 15.672 ( 6.606 -1.355 3.629) 7.658 15.859 ( -5.797 -4.448 6.200) 9.583 16.067 ( -4.945 -2.348 6.048) 8.158 16.526 ( 1.764 0.908 -2.097) 2.886 16.819 ( -4.794 7.481 1.387) 8.993 17.051 ( -1.597 5.559 2.898) 6.469 17.477 ( 4.117 -1.234 -3.402) 5.481 17.636 ( 1.932 -5.154 -5.985) 8.131 25.552 ( -1.211 1.304 2.269) 2.884 25.643 ( 0.151 2.677 0.145) 2.685 25.673 ( -0.508 2.085 0.071) 2.147 25.736 ( 0.366 -1.453 1.548) 2.155 25.807 ( -0.328 -1.466 -0.183) 1.513 26.212 ( 2.089 0.199 -5.156) 5.567 26.441 ( -1.611 -1.075 -1.970) 2.763 26.538 ( 1.556 -2.085 11.091) 11.392 26.775 ( -2.002 2.503 -11.763) 12.192 27.232 ( -5.825 -4.314 1.032) 7.322 27.919 ( 0.495 -1.704 3.288) 3.736 28.352 ( 8.883 -6.317 10.587) 15.195 28.516 ( 4.907 -1.562 -2.775) 5.850 28.790 ( -1.485 -7.694 -2.624) 8.264 28.989 ( -0.800 12.602 -1.011) 12.668 29.266 ( -4.239 9.798 -4.084) 11.430 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -2.762 18.696 16.709) 25.226 2.115 ( 1.826 22.521 14.067) 26.616 2.523 ( 4.272 14.502 15.418) 21.593 2.718 ( -5.268 14.482 -5.198) 16.263 3.015 ( 6.208 12.174 -0.906) 13.696 3.173 ( -3.773 2.989 -1.109) 4.940 3.345 ( 13.195 7.045 -3.601) 15.385 3.527 ( 1.367 -0.283 -1.313) 1.916 3.733 ( -2.220 3.178 3.452) 5.191 3.779 ( -2.935 2.914 -5.205) 6.649 3.994 ( 6.291 9.606 0.962) 11.523 4.064 ( -3.346 -0.337 4.662) 5.748 4.114 ( -0.747 6.666 1.187) 6.812 4.273 ( -6.086 14.308 2.261) 15.712 4.450 ( -3.045 -2.968 -3.159) 5.297 4.584 ( 0.123 -0.696 -3.089) 3.168 4.760 ( -4.332 0.266 -6.327) 7.672 4.898 ( 2.316 -4.814 -1.059) 5.446 5.016 ( 4.163 -7.852 -2.506) 9.234 5.108 ( -5.557 0.326 -1.061) 5.667 5.337 ( 2.825 -0.761 -4.811) 5.631 5.614 ( 1.681 -5.907 6.434) 8.895 5.733 ( 3.123 -0.138 7.242) 7.888 5.950 ( -0.037 -2.232 -2.530) 3.374 6.063 ( -3.047 -2.085 7.751) 8.585 6.143 ( -4.248 1.295 -1.050) 4.564 6.248 ( -1.282 1.292 4.026) 4.419 6.317 ( 2.449 1.076 0.481) 2.718 6.565 ( -1.390 2.950 -6.299) 7.093 6.659 ( -2.147 4.039 -0.630) 4.617 6.731 ( 3.143 -0.740 -3.406) 4.693 6.845 ( 8.622 2.159 -2.470) 9.225 6.985 ( 4.020 -0.642 -1.704) 4.413 7.081 ( -5.220 -0.905 -3.220) 6.200 7.317 ( -1.588 -0.317 5.503) 5.736 7.444 ( 1.148 -2.524 -3.992) 4.860 7.614 ( -1.088 -1.483 -5.660) 5.952 7.932 ( -5.953 2.270 -10.086) 11.929 8.119 ( -1.168 -1.576 1.747) 2.627 8.265 ( -1.462 -2.309 -3.471) 4.417 8.764 ( -2.561 -2.848 1.635) 4.164 9.051 ( 1.877 0.369 -0.863) 2.098 9.145 ( -0.386 2.547 -0.743) 2.681 9.217 ( -0.779 1.478 1.163) 2.036 9.354 ( -4.783 -3.505 6.621) 8.888 9.541 ( -0.810 -8.056 0.567) 8.117 9.600 ( -0.127 3.185 3.127) 4.465 9.823 ( 2.017 6.871 5.324) 8.923 10.182 ( -2.800 1.451 0.760) 3.243 10.483 ( 1.957 6.334 3.858) 7.671 10.712 ( 3.789 -1.046 -3.099) 5.005 10.826 ( 0.709 5.465 -1.041) 5.608 11.246 ( -2.514 5.775 -3.970) 7.445 11.332 ( 1.548 2.133 0.176) 2.642 11.377 ( 5.389 2.495 -0.344) 5.949 11.616 ( 4.102 -11.704 0.998) 12.442 11.709 ( -4.343 0.003 5.236) 6.803 11.805 ( -4.142 4.727 -0.743) 6.329 11.828 ( 4.707 1.324 -0.711) 4.941 12.096 ( -0.321 -5.212 -5.756) 7.772 12.156 ( 0.333 -1.903 -1.710) 2.580 12.585 ( 4.812 -10.660 -7.964) 14.150 12.935 ( -5.579 -4.630 9.922) 12.289 13.365 ( 0.025 -16.393 7.393) 17.982 14.615 ( -1.834 1.207 4.336) 4.860 14.734 ( -2.410 3.502 1.442) 4.489 14.913 ( -0.723 4.800 0.487) 4.879 15.034 ( -1.379 -0.151 -5.202) 5.384 15.194 ( -0.852 -5.620 -2.410) 6.175 15.262 ( 1.613 -0.113 -2.741) 3.182 15.446 ( 0.636 2.266 3.357) 4.100 15.577 ( 5.218 -0.032 -7.381) 9.039 15.767 ( -1.453 -3.226 1.958) 4.044 15.991 ( 2.911 -9.923 7.664) 12.872 16.092 ( -6.466 -2.611 5.628) 8.961 16.503 ( 2.880 2.366 -3.146) 4.877 16.663 ( -7.682 6.542 2.168) 10.320 16.975 ( 0.274 4.622 3.515) 5.813 17.484 ( 3.999 1.473 -3.888) 5.769 17.704 ( 2.887 -4.676 -10.797) 12.115 25.530 ( -0.650 1.814 1.856) 2.676 25.602 ( 0.844 2.883 0.905) 3.138 25.657 ( -0.885 0.194 3.205) 3.331 25.756 ( -0.314 0.144 1.993) 2.023 25.822 ( -0.125 -0.857 -0.236) 0.898 26.197 ( 2.631 0.867 -4.261) 5.083 26.423 ( -1.941 0.229 -2.758) 3.381 26.606 ( -2.094 1.375 -4.278) 4.957 26.703 ( 0.891 -1.756 6.571) 6.860 27.252 ( -8.359 -4.689 -2.123) 9.817 27.941 ( -3.258 -0.614 2.612) 4.221 28.478 ( -0.052 0.888 -1.399) 1.658 28.597 ( 4.241 4.550 5.981) 8.629 28.778 ( -0.290 7.994 0.005) 7.999 28.886 ( 2.991 -3.446 -1.954) 4.963 29.147 ( 7.970 -3.944 -4.577) 10.001 ======================= Grid point 115 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.940 -0.000 -18.842) 18.942 1.916 ( -1.913 0.000 -3.250) 3.772 2.255 ( 21.294 -0.000 9.048) 23.137 2.342 ( 6.726 -0.000 4.728) 8.222 2.357 ( -6.825 0.000 23.191) 24.175 2.747 ( -3.555 0.000 -10.037) 10.648 3.091 ( 7.912 -0.000 -3.077) 8.489 3.232 ( -8.097 0.000 -0.248) 8.101 3.443 ( -13.439 0.000 2.319) 13.637 3.523 ( 5.643 -0.000 2.459) 6.155 3.817 ( 13.637 -0.000 2.561) 13.876 3.937 ( -9.298 0.000 -7.289) 11.815 3.997 ( 7.803 -0.000 3.828) 8.691 4.273 ( -2.270 0.000 -13.565) 13.753 4.436 ( -11.011 0.000 -0.784) 11.039 4.447 ( -0.318 0.000 22.866) 22.868 4.772 ( -6.709 0.000 -5.345) 8.578 4.824 ( -1.537 0.000 -10.923) 11.031 4.855 ( 23.181 -0.000 10.923) 25.626 5.182 ( -11.826 0.000 -3.343) 12.289 5.614 ( 8.301 -0.000 -4.248) 9.325 5.701 ( -1.944 0.000 4.432) 4.839 5.789 ( 3.904 -0.000 4.030) 5.611 5.965 ( -11.090 0.000 -9.153) 14.379 6.053 ( 1.864 -0.000 0.547) 1.943 6.133 ( -5.331 0.000 3.232) 6.235 6.271 ( -1.419 0.000 -2.753) 3.097 6.342 ( 3.350 -0.000 -5.251) 6.229 6.545 ( -5.450 0.000 0.843) 5.515 6.665 ( -4.530 0.000 0.593) 4.569 6.677 ( 6.799 -0.000 2.881) 7.384 6.854 ( 14.244 -0.000 4.682) 14.994 6.897 ( -4.998 0.000 -2.147) 5.440 7.294 ( -0.981 0.000 -2.634) 2.811 7.312 ( 4.168 -0.000 -5.482) 6.886 7.516 ( -3.999 0.000 2.064) 4.500 7.667 ( -11.454 0.000 -1.718) 11.583 7.757 ( -5.767 0.000 0.555) 5.794 7.928 ( 2.976 -0.000 3.528) 4.616 8.177 ( 8.272 -0.000 2.506) 8.644 8.650 ( -3.542 0.000 5.328) 6.398 8.740 ( -4.104 0.000 -5.599) 6.942 8.974 ( -4.956 0.000 4.897) 6.968 9.075 ( -3.167 0.000 3.563) 4.767 9.332 ( -4.067 0.000 5.409) 6.767 9.608 ( 4.519 -0.000 -1.463) 4.750 9.769 ( 5.650 -0.000 -4.910) 7.486 9.985 ( 0.478 -0.000 1.000) 1.109 10.121 ( -5.100 0.000 -5.450) 7.464 10.512 ( 3.844 -0.000 1.769) 4.232 10.602 ( 0.786 -0.000 -7.168) 7.211 10.760 ( 6.565 -0.000 -5.039) 8.275 10.905 ( 1.815 -0.000 5.134) 5.445 11.436 ( -3.195 0.000 -1.192) 3.410 11.463 ( 4.203 -0.000 7.141) 8.286 11.534 ( 5.646 -0.000 -0.269) 5.653 11.762 ( -5.382 0.000 -3.573) 6.460 11.831 ( -4.000 0.000 -1.789) 4.381 11.944 ( 3.061 -0.000 -0.398) 3.086 12.255 ( -8.705 0.000 1.518) 8.836 12.300 ( 4.698 -0.000 10.343) 11.360 12.444 ( -12.218 0.000 0.226) 12.220 12.750 ( -8.591 0.000 -9.008) 12.448 13.353 ( -1.160 0.000 1.740) 2.092 14.717 ( -2.033 0.000 4.599) 5.028 14.738 ( 2.032 -0.000 -1.987) 2.842 14.814 ( -8.483 0.000 0.267) 8.487 15.061 ( 2.570 -0.000 0.924) 2.731 15.345 ( 1.212 -0.000 0.704) 1.402 15.547 ( -1.494 0.000 -0.828) 1.708 15.575 ( 0.852 -0.000 -2.736) 2.865 15.585 ( 6.737 -0.000 -9.773) 11.870 15.791 ( 7.925 -0.000 0.259) 7.929 15.873 ( -8.181 0.000 4.173) 9.184 16.196 ( -0.494 0.000 0.182) 0.526 16.215 ( -5.078 0.000 7.570) 9.115 17.012 ( 10.203 -0.000 1.076) 10.259 17.495 ( 7.452 -0.000 -7.489) 10.565 17.519 ( -4.428 0.000 4.704) 6.461 17.534 ( 6.404 -0.000 -1.625) 6.607 25.506 ( 0.665 -0.000 -0.317) 0.736 25.564 ( 1.750 -0.000 -0.652) 1.868 25.619 ( -1.232 0.000 2.328) 2.634 25.703 ( -1.625 0.000 0.915) 1.865 25.964 ( -1.479 0.000 0.292) 1.507 26.129 ( -1.090 0.000 -2.767) 2.974 26.377 ( 2.799 -0.000 3.199) 4.250 26.391 ( 0.617 -0.000 0.608) 0.866 26.927 ( -4.612 0.000 -1.782) 4.944 27.511 ( 6.685 -0.000 9.435) 11.564 27.556 ( -5.081 0.000 8.956) 10.297 28.022 ( -1.856 0.000 0.595) 1.949 28.027 ( -12.905 0.000 -11.219) 17.100 28.222 ( 0.329 -0.000 -2.789) 2.808 29.069 ( 6.306 -0.000 3.726) 7.324 30.661 ( 12.208 -0.000 -11.406) 16.707 ======================= Grid point 116 (51/140) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.915 -12.684 -13.123) 18.274 2.141 ( 0.388 -22.881 0.722) 22.895 2.299 ( -4.300 -6.941 1.717) 8.344 2.520 ( 11.091 -5.598 -2.791) 12.733 2.625 ( 7.395 -12.437 4.313) 15.098 2.812 ( 1.924 -10.503 4.210) 11.478 3.134 ( 3.352 -3.313 -2.516) 5.342 3.252 ( -5.403 -5.630 -7.571) 10.873 3.276 ( -14.890 -0.374 2.409) 15.089 3.649 ( 1.651 -4.946 12.548) 13.588 3.819 ( -5.942 -0.610 -2.283) 6.394 3.897 ( 12.718 5.037 2.365) 13.882 4.066 ( -1.111 1.110 -16.511) 16.586 4.212 ( -6.628 -0.060 3.777) 7.629 4.422 ( -4.075 -6.355 2.355) 7.908 4.505 ( -0.933 0.367 13.010) 13.049 4.623 ( 1.747 7.292 -6.980) 10.244 4.824 ( -2.275 -4.672 -2.881) 5.942 5.063 ( -1.435 0.369 -0.097) 1.485 5.222 ( 15.603 -10.093 7.186) 19.924 5.528 ( 3.273 6.284 -0.245) 7.089 5.726 ( 0.585 2.816 -1.305) 3.158 5.823 ( -7.121 -2.048 -7.779) 10.743 5.905 ( 0.062 -6.577 -4.456) 7.944 6.066 ( -4.174 3.448 8.946) 10.457 6.102 ( -1.176 -4.151 -2.942) 5.222 6.266 ( 2.041 0.522 -2.480) 3.255 6.365 ( 1.609 -2.930 -7.362) 8.085 6.482 ( -3.507 3.666 0.470) 5.096 6.614 ( -6.458 1.246 0.911) 6.640 6.669 ( 4.492 7.412 2.206) 8.943 6.872 ( -0.641 -0.303 -1.360) 1.534 6.969 ( 10.021 2.733 10.577) 14.824 7.159 ( 0.188 11.242 -4.593) 12.146 7.278 ( 0.044 4.961 -0.738) 5.015 7.419 ( -4.208 -1.804 -4.104) 6.149 7.739 ( -1.332 -2.350 8.430) 8.853 7.768 ( -7.738 -9.744 -1.526) 12.536 7.985 ( 1.419 -1.754 3.004) 3.757 8.167 ( 5.752 7.086 1.990) 9.341 8.603 ( -4.200 2.522 2.556) 5.526 8.801 ( -2.030 -8.696 1.077) 8.994 8.945 ( -5.038 0.416 1.954) 5.419 9.112 ( -3.257 -4.220 4.682) 7.095 9.348 ( -3.672 -2.658 4.158) 6.151 9.523 ( 4.183 8.555 -2.604) 9.872 9.851 ( 5.026 -3.428 -2.314) 6.509 9.909 ( -2.014 7.214 -3.384) 8.219 10.106 ( 0.196 -4.063 -2.412) 4.729 10.578 ( 2.238 -0.966 0.723) 2.542 10.630 ( -0.075 -9.278 -13.632) 16.490 10.806 ( 6.031 -0.947 -3.177) 6.883 11.012 ( 2.985 -7.382 10.014) 12.794 11.428 ( -2.043 -1.816 -0.917) 2.883 11.509 ( 2.915 0.240 1.453) 3.266 11.606 ( 5.463 -1.703 -0.131) 5.724 11.676 ( -3.595 3.190 -4.171) 6.364 11.782 ( -1.907 1.892 2.307) 3.541 11.984 ( 3.069 -2.246 -2.709) 4.669 12.204 ( -7.298 -0.100 3.040) 7.907 12.316 ( -14.375 -4.369 0.974) 15.056 12.432 ( 4.974 0.676 2.019) 5.410 12.608 ( -5.581 4.385 -7.942) 10.651 13.287 ( -1.855 7.524 -0.102) 7.750 14.696 ( -1.865 0.894 3.334) 3.923 14.713 ( -2.867 3.705 -0.329) 4.696 14.814 ( 0.985 -4.673 0.628) 4.816 15.119 ( 2.377 -2.195 -0.167) 3.240 15.253 ( -0.493 8.915 1.142) 9.001 15.515 ( -5.651 -2.059 -1.366) 6.168 15.561 ( 5.833 1.967 -7.176) 9.455 15.604 ( 3.769 0.945 -1.726) 4.252 15.799 ( 1.434 3.934 0.151) 4.190 15.866 ( -1.940 -0.131 3.759) 4.232 16.111 ( -2.295 4.653 4.314) 6.747 16.322 ( -2.466 -7.192 3.766) 8.485 17.098 ( 11.893 0.212 1.283) 11.964 17.444 ( -5.505 3.528 2.005) 6.839 17.496 ( 7.628 4.843 -2.181) 9.295 17.562 ( -0.150 0.787 -0.234) 0.835 25.523 ( 0.880 -1.432 0.062) 1.682 25.577 ( 0.897 -0.606 -0.463) 1.177 25.638 ( -0.874 -2.007 1.108) 2.454 25.700 ( -1.793 -0.675 0.981) 2.153 25.931 ( -1.527 1.889 -2.121) 3.225 26.127 ( -0.095 -1.736 -2.560) 3.094 26.376 ( 0.103 1.145 1.496) 1.886 26.432 ( 1.606 -1.432 2.381) 3.209 26.881 ( -2.873 0.121 -4.167) 5.063 27.558 ( -0.769 3.251 12.468) 12.907 27.616 ( -3.174 -4.130 -2.734) 5.883 27.851 ( -2.908 0.823 -1.135) 3.228 28.106 ( -1.883 -7.362 -0.002) 7.599 28.260 ( 0.222 -4.771 -2.507) 5.394 29.133 ( 3.528 -0.123 5.847) 6.830 30.579 ( 9.712 13.053 -9.806) 18.996 ======================= Grid point 117 (52/140) ======================= q-point: (-0.44 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -0.469 -20.391 0.334) 20.399 2.311 ( -7.840 -7.613 -0.098) 10.929 2.548 ( 6.129 -9.593 -1.477) 11.479 2.677 ( -1.007 -6.902 -7.362) 10.142 2.848 ( 10.876 -9.499 -3.796) 14.931 3.025 ( -3.873 -15.510 -1.452) 16.052 3.170 ( -9.755 -9.605 -5.497) 14.752 3.289 ( -1.860 -11.638 -0.654) 11.804 3.434 ( -0.916 -13.185 5.039) 14.145 3.774 ( 2.624 -2.017 0.293) 3.323 3.840 ( -0.231 0.096 8.243) 8.247 3.896 ( 5.272 3.984 4.166) 7.812 3.946 ( -3.080 0.086 -12.232) 12.614 4.142 ( -3.704 -3.699 -0.371) 5.248 4.372 ( 2.048 10.874 6.195) 12.681 4.525 ( -1.436 4.484 1.632) 4.983 4.712 ( -0.306 -12.500 0.296) 12.507 4.874 ( -0.450 -2.790 -1.007) 3.000 5.078 ( 1.939 -3.952 7.464) 8.666 5.390 ( 2.889 0.354 -1.250) 3.168 5.506 ( -1.054 2.314 -6.331) 6.822 5.750 ( -8.605 -6.304 -5.168) 11.853 5.812 ( 6.578 -4.857 3.079) 8.737 5.925 ( -1.158 -1.304 -7.001) 7.215 6.042 ( -3.150 0.535 0.386) 3.218 6.187 ( 7.512 0.468 -1.849) 7.751 6.228 ( -0.513 -1.832 -2.318) 2.999 6.334 ( -2.263 3.181 -1.649) 4.238 6.428 ( 2.606 0.699 -4.507) 5.253 6.534 ( -0.535 3.989 5.941) 7.176 6.626 ( 0.500 -0.164 0.155) 0.548 6.846 ( -2.171 2.268 1.576) 3.512 6.971 ( 3.009 7.266 1.107) 7.942 7.051 ( 2.388 1.206 4.553) 5.281 7.178 ( 0.499 6.035 2.229) 6.453 7.465 ( 2.474 -3.703 -0.026) 4.454 7.768 ( -1.363 -0.647 6.057) 6.242 7.875 ( -5.129 -5.955 0.816) 7.901 8.018 ( -2.497 -0.921 0.998) 2.843 8.113 ( 2.173 2.502 1.044) 3.475 8.553 ( -2.666 1.620 2.440) 3.961 8.889 ( -1.567 -0.152 2.546) 2.993 8.977 ( -2.373 -8.826 2.213) 9.403 9.170 ( -2.968 -1.911 4.151) 5.449 9.375 ( -0.298 2.229 0.700) 2.356 9.449 ( 1.019 -1.274 0.766) 1.803 9.749 ( -0.275 8.431 -3.242) 9.037 9.940 ( 2.581 -5.273 -0.535) 5.895 10.153 ( 1.086 -1.187 -3.124) 3.514 10.610 ( -1.241 -3.820 -2.022) 4.497 10.683 ( -0.005 -3.447 -11.398) 11.907 10.872 ( 6.278 -1.585 3.655) 7.435 11.235 ( 1.969 -7.704 9.056) 12.052 11.439 ( -1.168 -1.112 -1.280) 2.059 11.520 ( 3.943 5.178 -2.663) 7.033 11.569 ( -0.430 0.435 -1.325) 1.459 11.629 ( -1.060 -0.991 -5.336) 5.530 11.823 ( 4.646 -3.500 2.192) 6.216 12.012 ( 1.645 -0.134 -4.228) 4.539 12.151 ( -9.351 0.833 2.792) 9.795 12.294 ( -7.445 -3.855 -7.808) 11.457 12.450 ( -3.590 -3.535 -3.456) 6.109 12.515 ( 5.738 3.744 4.852) 8.395 13.075 ( -3.765 14.228 -1.648) 14.810 14.644 ( -2.556 0.081 -0.924) 2.719 14.721 ( 1.271 -0.898 2.163) 2.665 14.907 ( 0.264 -4.661 2.563) 5.326 15.050 ( 1.113 8.790 -0.501) 8.874 15.215 ( 1.218 -1.984 -0.855) 2.480 15.500 ( -3.115 -0.246 -2.611) 4.072 15.520 ( 3.233 2.696 -6.234) 7.522 15.617 ( 3.100 0.792 2.981) 4.373 15.693 ( -4.776 6.657 0.621) 8.216 15.860 ( 1.887 2.248 1.583) 3.334 16.058 ( -2.197 2.815 6.249) 7.197 16.426 ( -1.972 -5.411 1.948) 6.080 17.195 ( 10.949 1.385 2.816) 11.390 17.322 ( -8.030 4.147 -2.603) 9.405 17.430 ( 5.994 8.954 4.550) 11.696 17.551 ( -0.954 -0.664 -1.175) 1.653 25.561 ( 0.466 -1.797 0.694) 1.982 25.597 ( 0.446 -1.563 0.093) 1.628 25.670 ( -0.776 -2.161 -0.587) 2.370 25.705 ( -1.778 -1.018 0.819) 2.206 25.866 ( -1.124 2.887 -3.053) 4.349 26.154 ( 1.263 -2.393 -3.109) 4.122 26.376 ( -0.287 -0.331 2.025) 2.072 26.468 ( 0.098 -0.501 3.102) 3.144 26.842 ( -1.818 -0.922 -7.581) 7.850 27.408 ( -6.841 8.221 -2.380) 10.957 27.714 ( 2.610 -4.810 5.939) 8.076 27.944 ( 1.428 -7.030 6.876) 9.937 28.240 ( -0.144 -9.189 1.506) 9.313 28.341 ( 0.568 -6.158 -3.089) 6.913 29.176 ( 0.053 0.215 5.696) 5.700 30.305 ( 6.363 21.498 -8.385) 23.937 ======================= Grid point 118 (53/140) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -10.339 -0.260 5.447) 11.689 2.505 ( 4.321 -12.939 2.568) 13.881 2.547 ( -8.594 -4.078 -4.442) 10.498 2.784 ( 5.443 -3.891 6.626) 9.416 3.036 ( -0.456 -9.545 -16.531) 19.094 3.238 ( -1.389 -12.641 -7.012) 14.523 3.266 ( -0.417 -8.183 2.213) 8.487 3.459 ( -3.385 -11.381 -4.768) 12.795 3.622 ( 4.567 7.311 -9.133) 12.558 3.726 ( 0.844 -11.984 8.167) 14.527 3.849 ( 0.598 -2.970 -3.193) 4.402 3.953 ( 2.621 -3.550 2.554) 5.099 4.077 ( 0.452 -8.182 12.386) 14.851 4.177 ( 0.719 5.667 -3.213) 6.554 4.306 ( 7.506 -2.591 4.470) 9.112 4.435 ( -4.303 4.101 0.641) 5.978 4.812 ( 0.359 -3.104 -1.201) 3.347 4.872 ( -2.732 0.642 -1.527) 3.196 5.320 ( 3.359 -8.433 11.859) 14.934 5.371 ( -1.237 1.745 -2.102) 2.999 5.377 ( -1.208 4.427 -2.766) 5.358 5.703 ( -3.595 8.598 -8.804) 12.820 5.774 ( -8.506 -7.502 -3.706) 11.932 5.889 ( -5.817 7.143 -7.007) 11.575 6.016 ( -6.953 -3.030 -1.279) 7.692 6.218 ( 5.023 2.473 1.620) 5.828 6.299 ( 4.351 -2.042 -0.406) 4.823 6.357 ( 4.455 -9.782 -3.606) 11.338 6.441 ( 5.137 0.076 -5.282) 7.368 6.577 ( 3.819 0.390 14.413) 14.916 6.666 ( 0.596 -3.876 -0.850) 4.012 6.788 ( 0.944 2.733 -2.220) 3.646 6.905 ( -2.228 0.717 -0.138) 2.345 7.054 ( 1.784 0.603 0.333) 1.912 7.190 ( 6.415 0.219 10.087) 11.956 7.531 ( 0.283 -1.908 1.501) 2.444 7.773 ( -5.643 3.415 8.126) 10.467 7.876 ( -3.602 -0.897 -3.834) 5.336 8.002 ( -2.179 -1.475 -3.019) 4.005 8.145 ( 1.224 -3.444 -0.775) 3.736 8.535 ( -0.888 0.179 2.331) 2.500 8.925 ( 2.185 -3.927 0.237) 4.500 9.107 ( -3.574 -5.418 5.963) 8.814 9.176 ( -0.476 -0.629 3.251) 3.345 9.309 ( 0.960 4.984 2.754) 5.774 9.545 ( -0.981 -5.994 0.244) 6.079 9.600 ( 1.523 7.881 -0.507) 8.043 10.051 ( 0.060 -5.823 0.565) 5.850 10.126 ( 0.308 2.592 -3.619) 4.462 10.646 ( -0.808 -2.480 -6.530) 7.032 10.675 ( -0.563 -1.580 -2.244) 2.802 10.961 ( 4.068 -1.080 3.784) 5.660 11.335 ( -3.077 -1.587 6.547) 7.406 11.407 ( -1.016 4.214 -1.353) 4.541 11.432 ( 3.180 3.241 -0.251) 4.548 11.514 ( 0.939 6.099 1.709) 6.403 11.710 ( 1.091 -7.808 -8.047) 11.266 11.906 ( 3.362 0.174 -2.818) 4.390 11.993 ( -2.432 -1.890 -3.178) 4.425 12.079 ( -3.799 1.056 -0.116) 3.945 12.234 ( -0.077 1.566 -8.287) 8.434 12.499 ( -0.579 -0.732 -1.207) 1.526 12.588 ( 4.557 -4.479 3.347) 7.213 12.814 ( -2.968 8.088 0.095) 8.616 14.653 ( -1.069 -3.313 -2.189) 4.112 14.748 ( 0.191 -0.285 0.805) 0.875 14.936 ( -1.694 2.154 3.234) 4.239 15.006 ( 3.222 -2.533 -2.415) 4.757 15.242 ( -1.202 -0.193 1.539) 1.962 15.420 ( 0.910 3.971 -4.993) 6.444 15.503 ( 1.169 0.478 -2.121) 2.468 15.528 ( -4.219 6.199 -2.039) 7.771 15.668 ( 2.371 -0.434 5.733) 6.219 15.840 ( 1.969 2.671 1.156) 3.514 16.040 ( -3.063 1.075 7.462) 8.137 16.488 ( -1.279 -3.159 -0.203) 3.415 17.105 ( -6.195 8.906 0.829) 10.880 17.252 ( -1.327 4.490 1.177) 4.827 17.408 ( 9.692 1.572 3.489) 10.420 17.555 ( 0.393 -1.084 -2.475) 2.731 25.579 ( -0.802 -0.066 1.229) 1.469 25.645 ( 0.764 -3.071 0.661) 3.232 25.683 ( -0.803 -0.410 -0.413) 0.992 25.713 ( -1.542 -1.242 -1.252) 2.343 25.803 ( -0.131 2.240 -1.227) 2.558 26.187 ( 2.521 -1.793 -4.408) 5.385 26.392 ( -0.937 -1.249 -0.108) 1.565 26.495 ( -0.485 -0.666 6.924) 6.972 26.800 ( -2.037 -0.773 -10.628) 10.849 27.242 ( -4.887 4.666 -1.056) 6.839 27.835 ( 2.205 -3.398 6.446) 7.613 28.125 ( 4.652 -7.258 8.760) 12.290 28.395 ( 2.805 -6.353 0.050) 6.945 28.458 ( 0.314 -9.979 -1.925) 10.168 29.175 ( -3.068 1.481 3.241) 4.703 29.909 ( 1.530 24.465 -7.549) 25.648 ======================= Grid point 119 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -6.990 8.231 9.623) 14.464 2.545 ( -2.086 -4.720 -1.124) 5.282 2.658 ( -5.738 2.916 -1.037) 6.519 2.890 ( 2.214 -6.074 7.264) 9.724 3.101 ( 0.263 -3.102 -5.043) 5.927 3.352 ( 7.277 3.843 2.874) 8.717 3.377 ( 1.872 -8.116 -6.271) 10.425 3.476 ( -0.506 0.125 -3.828) 3.864 3.633 ( 1.673 -9.308 -7.211) 11.892 3.889 ( -0.894 -4.262 -3.711) 5.721 3.916 ( 4.858 6.009 1.969) 7.974 4.033 ( -1.947 -9.010 0.647) 9.241 4.126 ( 0.535 -4.658 2.008) 5.100 4.278 ( -2.039 -6.100 7.452) 9.844 4.360 ( 3.714 0.891 1.838) 4.239 4.445 ( 3.495 -4.354 1.077) 5.686 4.805 ( -3.601 2.979 -3.874) 6.070 4.878 ( 5.313 -2.384 0.895) 5.892 5.195 ( -7.370 7.468 -0.520) 10.506 5.235 ( -3.426 6.879 -6.094) 9.808 5.463 ( -2.107 6.371 -1.524) 6.881 5.636 ( 5.564 -4.071 9.970) 12.122 5.689 ( -2.600 6.783 -5.973) 9.404 5.829 ( -4.762 -6.377 -4.274) 9.034 6.003 ( -3.158 -0.740 0.366) 3.264 6.168 ( -10.111 -0.969 0.363) 10.164 6.342 ( 1.790 2.547 4.758) 5.686 6.430 ( 4.957 3.268 -0.123) 5.939 6.564 ( 6.051 -8.554 -2.564) 10.787 6.617 ( -1.104 -0.111 -3.361) 3.540 6.677 ( -1.442 -0.152 -1.460) 2.058 6.837 ( -1.555 -5.104 -0.595) 5.368 6.895 ( 8.190 2.042 4.092) 9.381 7.126 ( 1.548 -5.531 1.078) 5.844 7.289 ( 9.899 1.892 7.147) 12.355 7.522 ( -5.157 3.111 -0.778) 6.072 7.657 ( -5.774 4.155 3.707) 8.022 7.878 ( -2.303 -3.815 -4.996) 6.695 8.006 ( -0.106 -1.981 -2.650) 3.310 8.195 ( -0.474 -2.717 -3.988) 4.849 8.564 ( -0.331 -3.329 1.957) 3.876 9.034 ( 4.478 -5.555 -2.691) 7.626 9.143 ( -2.266 -1.033 4.781) 5.391 9.262 ( 1.923 0.344 6.852) 7.125 9.277 ( -3.830 -4.067 7.244) 9.148 9.435 ( 0.576 9.273 -1.394) 9.395 9.655 ( -0.143 -3.394 0.534) 3.439 10.039 ( 1.354 5.284 -1.779) 5.738 10.130 ( -3.778 -4.143 -0.294) 5.614 10.655 ( 2.965 -1.709 -4.152) 5.380 10.669 ( -1.079 1.979 1.075) 2.497 10.981 ( 0.784 2.867 1.307) 3.247 11.330 ( 0.558 -1.315 -1.051) 1.774 11.401 ( 3.020 2.147 3.197) 4.894 11.416 ( -2.293 0.145 -0.586) 2.371 11.423 ( 0.317 3.238 2.401) 4.044 11.751 ( -2.052 -0.313 -1.080) 2.340 11.876 ( -0.720 -1.045 -6.533) 6.655 11.944 ( -3.144 3.366 -0.895) 4.692 12.095 ( 3.040 -1.148 -1.209) 3.467 12.143 ( -1.503 6.776 -6.209) 9.313 12.393 ( 5.178 4.027 -8.371) 10.635 12.728 ( -2.124 -7.764 6.231) 10.179 12.896 ( 3.915 -10.772 3.436) 11.966 14.690 ( 1.114 -0.468 -0.481) 1.300 14.757 ( -1.384 -2.636 -1.100) 3.174 14.935 ( -2.429 -2.124 0.066) 3.227 15.035 ( 4.078 1.704 -1.893) 4.808 15.178 ( -6.074 4.019 2.288) 7.634 15.361 ( -0.741 4.585 -1.838) 4.995 15.456 ( 2.624 -2.762 -3.468) 5.152 15.497 ( 1.332 0.360 -1.622) 2.130 15.738 ( 3.413 -2.539 5.483) 6.939 15.813 ( -0.227 2.511 2.037) 3.241 16.042 ( -4.203 -0.220 7.202) 8.342 16.516 ( -0.378 -1.653 -1.488) 2.256 16.914 ( -7.232 8.119 1.398) 10.962 17.146 ( -2.663 5.995 2.517) 7.026 17.492 ( 8.747 -0.662 -0.979) 8.826 17.569 ( 1.145 -1.827 -3.676) 4.262 25.573 ( -0.984 0.730 2.275) 2.584 25.671 ( -0.900 0.691 0.002) 1.135 25.694 ( -0.527 0.349 -0.045) 0.634 25.711 ( 0.697 -2.183 -0.232) 2.303 25.787 ( -0.190 -0.263 0.150) 0.357 26.203 ( 3.098 -0.548 -5.594) 6.418 26.401 ( -1.150 -1.191 -1.113) 1.995 26.553 ( -0.872 -2.126 7.307) 7.660 26.733 ( -2.000 0.875 -8.110) 8.399 27.168 ( -3.612 0.301 -0.854) 3.724 27.912 ( -0.589 -1.526 5.301) 5.548 28.340 ( 5.699 -7.553 9.340) 13.295 28.503 ( 6.935 -4.115 -1.967) 8.301 28.636 ( 2.358 -10.008 -0.289) 10.286 29.103 ( -4.529 4.568 -0.396) 6.445 29.479 ( -3.381 21.428 -6.211) 22.565 ======================= Grid point 120 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.632 11.610 12.612) 17.154 2.425 ( -4.081 12.836 2.643) 13.726 2.669 ( -0.099 -5.076 -0.360) 5.090 2.907 ( -1.669 12.761 9.022) 15.718 3.118 ( -0.077 -3.699 -1.368) 3.944 3.305 ( 8.647 10.455 3.655) 14.051 3.462 ( 1.004 -3.580 -2.006) 4.224 3.494 ( 8.718 -0.395 -4.962) 10.039 3.746 ( -3.594 -1.033 -2.710) 4.619 3.821 ( 0.291 6.379 1.950) 6.676 3.905 ( -3.306 -6.839 -3.761) 8.476 4.129 ( -0.594 -4.503 0.865) 4.624 4.212 ( -2.172 -4.525 -4.403) 6.677 4.295 ( -1.552 5.838 -1.389) 6.198 4.404 ( -5.062 3.013 8.018) 9.949 4.582 ( 9.947 -6.805 -1.032) 12.096 4.709 ( -1.123 0.602 -5.452) 5.599 4.962 ( 3.895 -1.613 0.228) 4.222 5.014 ( 1.263 11.224 -3.780) 11.911 5.092 ( -3.695 1.270 2.609) 4.698 5.375 ( -2.093 4.528 -0.519) 5.015 5.567 ( 0.635 -1.051 0.284) 1.261 5.779 ( 1.317 0.219 6.038) 6.183 5.853 ( -5.557 -4.808 -3.559) 8.165 6.018 ( 0.305 -2.199 3.544) 4.182 6.105 ( -7.591 -0.171 0.452) 7.606 6.316 ( 1.082 3.413 2.991) 4.665 6.410 ( 4.307 3.824 0.410) 5.774 6.547 ( -5.852 0.835 -6.750) 8.973 6.620 ( -4.205 -0.620 4.052) 5.873 6.737 ( 4.843 -3.019 -6.548) 8.687 6.870 ( -0.597 -2.663 -1.714) 3.223 6.991 ( 9.337 -0.925 2.289) 9.658 7.159 ( 2.085 6.119 1.147) 6.566 7.323 ( -1.877 2.881 0.057) 3.439 7.420 ( 4.311 0.130 -0.546) 4.348 7.602 ( -3.079 1.262 -0.777) 3.417 7.867 ( -4.320 0.035 -7.080) 8.294 8.060 ( 0.484 -4.421 0.281) 4.456 8.200 ( -1.136 -2.087 -3.105) 3.911 8.656 ( -1.837 -6.718 2.589) 7.430 9.104 ( 1.712 1.503 0.368) 2.308 9.139 ( -2.552 0.339 -3.065) 4.003 9.269 ( -1.596 4.283 1.343) 4.764 9.314 ( -2.935 -1.736 7.759) 8.475 9.412 ( -0.638 -6.540 3.691) 7.537 9.658 ( 0.383 2.360 0.794) 2.519 9.965 ( 2.710 5.418 1.261) 6.188 10.151 ( -3.550 -2.523 -0.521) 4.386 10.611 ( 0.760 4.977 3.511) 6.138 10.706 ( 3.107 -1.700 -1.074) 3.701 10.914 ( 1.566 4.373 -2.025) 5.067 11.296 ( -2.461 5.431 -5.196) 7.909 11.380 ( 2.102 1.390 1.292) 2.832 11.402 ( -0.740 -3.413 -3.069) 4.650 11.513 ( 5.676 -4.815 5.129) 9.040 11.704 ( -3.783 2.787 5.112) 6.943 11.861 ( -0.339 3.876 -1.515) 4.176 11.886 ( -1.546 0.001 -4.582) 4.835 11.988 ( 0.595 -0.191 -3.120) 3.182 12.141 ( 3.445 -1.061 -1.690) 3.981 12.425 ( 5.687 -5.798 -9.308) 12.353 12.853 ( -5.258 -5.990 8.110) 11.371 13.138 ( -1.466 -13.546 4.182) 14.253 14.673 ( 1.369 3.291 2.390) 4.291 14.780 ( 0.058 0.558 -0.539) 0.778 14.932 ( -4.988 0.947 -0.371) 5.090 15.027 ( -0.573 -3.340 -0.778) 3.477 15.104 ( 1.381 3.468 -1.571) 4.050 15.286 ( 0.740 1.661 -1.431) 2.314 15.481 ( 1.502 0.921 -0.795) 1.933 15.544 ( 2.215 -4.443 -4.332) 6.589 15.770 ( -1.536 2.812 2.728) 4.208 15.877 ( 2.052 -8.303 5.228) 10.024 16.047 ( -5.062 -0.754 6.034) 7.912 16.524 ( 0.501 -0.183 -1.698) 1.779 16.744 ( -5.259 7.490 1.723) 9.312 17.062 ( -0.657 3.854 2.990) 4.922 17.527 ( 5.451 1.677 -2.841) 6.372 17.606 ( 2.296 -3.862 -7.182) 8.472 25.564 ( -0.559 1.311 2.701) 3.054 25.648 ( 0.118 1.465 -0.429) 1.532 25.676 ( -0.256 1.099 2.395) 2.647 25.755 ( -0.123 -1.389 1.706) 2.203 25.795 ( -0.592 -1.345 -0.510) 1.556 26.208 ( 3.876 -0.121 -5.020) 6.343 26.398 ( -1.276 -0.088 -1.335) 1.848 26.560 ( -4.361 0.226 -7.344) 8.544 26.728 ( 1.523 -1.492 10.009) 10.233 27.150 ( -3.257 -1.743 -1.959) 4.181 27.931 ( -2.786 0.144 3.845) 4.751 28.456 ( -2.551 -1.564 0.359) 3.014 28.635 ( 4.100 -3.967 -3.819) 6.865 28.824 ( 5.783 -2.073 7.137) 9.417 28.990 ( 4.686 3.154 -2.196) 6.060 29.136 ( -3.684 8.622 -4.938) 10.597 ======================= Grid point 125 (56/140) ======================= q-point: (-0.56 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 7.516 -0.000 -18.182) 19.674 1.834 ( 1.071 -0.000 -10.114) 10.171 2.288 ( -0.701 0.000 -12.560) 12.580 2.288 ( -12.793 0.000 13.642) 18.701 2.763 ( 0.217 -0.000 2.471) 2.480 2.809 ( 22.996 -0.000 10.029) 25.088 3.101 ( -14.561 0.000 -0.553) 14.571 3.115 ( -2.352 0.000 -3.007) 3.818 3.159 ( -5.239 0.000 -7.748) 9.353 3.670 ( 3.362 -0.000 5.520) 6.463 3.798 ( -1.749 0.000 9.466) 9.626 3.998 ( -0.144 0.000 -19.334) 19.335 4.102 ( 13.257 -0.000 2.271) 13.450 4.209 ( -12.837 0.000 -2.821) 13.143 4.222 ( -1.841 0.000 9.029) 9.215 4.553 ( -3.555 0.000 7.302) 8.122 4.734 ( 2.375 -0.000 9.208) 9.509 4.765 ( 6.236 -0.000 -8.388) 10.452 5.044 ( -3.672 0.000 2.300) 4.333 5.272 ( 15.343 -0.000 -1.568) 15.423 5.552 ( -21.199 0.000 -7.438) 22.466 5.669 ( 2.497 -0.000 -5.314) 5.871 5.768 ( -1.371 0.000 -8.893) 8.999 5.824 ( 3.326 -0.000 4.698) 5.756 6.048 ( -0.108 0.000 -3.299) 3.301 6.075 ( -4.603 0.000 1.712) 4.912 6.322 ( 3.866 -0.000 -7.637) 8.559 6.329 ( 7.003 -0.000 5.831) 9.113 6.475 ( -6.122 0.000 1.870) 6.401 6.619 ( -2.767 0.000 3.995) 4.860 6.795 ( 3.208 -0.000 2.754) 4.228 6.863 ( -0.586 0.000 2.954) 3.011 7.108 ( 10.165 -0.000 1.807) 10.324 7.286 ( -0.885 0.000 3.434) 3.547 7.292 ( 3.822 -0.000 -12.510) 13.081 7.460 ( -1.619 0.000 3.803) 4.133 7.487 ( -6.395 0.000 3.691) 7.384 7.758 ( -3.197 0.000 7.424) 8.083 8.003 ( 0.745 -0.000 2.792) 2.890 8.285 ( 2.325 -0.000 1.543) 2.790 8.659 ( -4.061 0.000 8.266) 9.210 8.666 ( 1.021 -0.000 -2.658) 2.847 8.917 ( -4.637 0.000 0.061) 4.637 9.067 ( -3.456 0.000 4.880) 5.980 9.306 ( -5.098 0.000 3.816) 6.368 9.648 ( 2.495 -0.000 -1.777) 3.063 9.827 ( 6.063 -0.000 -7.225) 9.432 9.991 ( -0.438 0.000 -0.217) 0.489 10.015 ( 0.457 -0.000 -3.530) 3.559 10.441 ( -0.573 0.000 -17.402) 17.412 10.599 ( 1.845 -0.000 1.201) 2.201 10.800 ( 4.355 -0.000 -4.063) 5.956 11.042 ( 2.097 -0.000 13.579) 13.740 11.393 ( -1.041 0.000 -0.744) 1.279 11.534 ( -2.418 0.000 0.479) 2.465 11.632 ( 2.311 -0.000 1.710) 2.875 11.664 ( 2.434 -0.000 -5.070) 5.624 11.794 ( -1.610 0.000 2.433) 2.917 11.968 ( 2.964 -0.000 -3.478) 4.570 12.145 ( -5.653 0.000 -1.444) 5.835 12.167 ( -13.611 0.000 -0.415) 13.618 12.425 ( -4.938 0.000 -9.092) 10.346 12.658 ( 8.219 -0.000 4.284) 9.268 13.336 ( -1.265 0.000 -2.434) 2.743 14.698 ( -5.443 0.000 3.018) 6.223 14.763 ( 0.193 -0.000 3.228) 3.233 14.765 ( 3.462 -0.000 -1.312) 3.703 15.104 ( 1.665 -0.000 0.240) 1.682 15.387 ( 1.013 -0.000 4.343) 4.460 15.398 ( -7.080 0.000 -3.572) 7.931 15.571 ( 3.810 -0.000 -9.226) 9.982 15.641 ( 4.310 -0.000 -1.239) 4.484 15.831 ( -5.483 0.000 6.442) 8.460 15.903 ( 6.504 -0.000 -1.100) 6.597 16.205 ( -1.475 0.000 3.389) 3.697 16.206 ( -3.271 0.000 4.866) 5.863 17.188 ( 11.215 -0.000 0.496) 11.226 17.449 ( -11.359 0.000 6.403) 13.039 17.487 ( -0.127 0.000 -2.896) 2.899 17.660 ( 9.628 -0.000 0.494) 9.641 25.517 ( 0.912 -0.000 0.154) 0.925 25.579 ( 1.304 -0.000 -1.114) 1.715 25.614 ( -1.927 0.000 1.427) 2.398 25.685 ( -1.594 0.000 0.562) 1.690 25.918 ( -1.676 0.000 -4.142) 4.468 26.104 ( 0.632 -0.000 -1.880) 1.984 26.410 ( -0.747 0.000 0.255) 0.789 26.411 ( 0.105 -0.000 1.909) 1.912 26.845 ( -2.157 0.000 -4.267) 4.782 27.514 ( -6.702 0.000 -11.815) 13.583 27.605 ( -3.208 0.000 13.544) 13.918 27.931 ( 6.065 -0.000 7.001) 9.263 28.011 ( -0.722 0.000 1.314) 1.499 28.216 ( 1.237 -0.000 -1.827) 2.206 29.185 ( 0.680 -0.000 8.214) 8.242 30.709 ( 8.331 -0.000 -10.673) 13.539 ======================= Grid point 126 (57/140) ======================= q-point: (-0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 4.345 -14.741 -11.307) 19.079 2.093 ( -2.324 -21.316 -6.483) 22.401 2.245 ( 1.833 -10.995 -3.603) 11.714 2.435 ( -1.933 -14.516 -3.471) 15.050 2.766 ( -12.778 -0.084 1.147) 12.829 2.871 ( -16.561 -4.859 -5.130) 18.005 3.077 ( 15.554 -1.474 5.736) 16.643 3.137 ( 2.847 -3.023 -3.274) 5.288 3.219 ( -2.537 -10.773 1.696) 11.197 3.744 ( 5.792 -2.388 -4.231) 7.560 3.840 ( 0.050 0.966 -1.674) 1.933 3.896 ( 0.004 -2.102 4.828) 5.266 4.054 ( -8.341 3.498 -4.213) 9.977 4.151 ( 10.863 6.947 6.485) 14.434 4.379 ( -7.708 -13.319 -0.060) 15.389 4.580 ( -0.592 -0.640 2.197) 2.363 4.671 ( 6.628 8.671 3.596) 11.491 4.832 ( 0.457 -0.809 2.369) 2.544 5.098 ( 6.399 -2.951 8.765) 11.246 5.330 ( -16.779 -6.433 -6.316) 19.047 5.416 ( -2.145 -1.553 -7.756) 8.195 5.582 ( -4.911 2.092 -7.171) 8.940 5.765 ( 5.736 -4.001 -3.573) 7.853 5.925 ( 2.377 1.756 0.064) 2.956 6.002 ( -1.282 -1.512 -1.961) 2.788 6.104 ( -1.564 -5.237 -5.412) 7.692 6.313 ( 6.750 2.552 -5.795) 9.255 6.372 ( -1.569 1.815 5.462) 5.966 6.452 ( 4.819 0.825 -0.755) 4.947 6.594 ( -0.867 2.640 4.385) 5.191 6.753 ( 0.386 6.576 6.302) 9.116 6.869 ( -1.263 1.540 2.104) 2.897 7.123 ( 2.169 7.949 -3.261) 8.862 7.141 ( 4.656 4.000 -0.498) 6.158 7.289 ( -4.742 3.564 4.777) 7.616 7.438 ( 8.560 -1.937 4.103) 9.688 7.693 ( 0.876 -9.634 1.120) 9.738 7.781 ( -4.014 -1.884 8.291) 9.403 8.007 ( -2.374 0.195 1.971) 3.092 8.216 ( -1.940 7.322 0.819) 7.618 8.597 ( -0.081 3.154 3.906) 5.021 8.815 ( -0.430 -9.747 3.874) 10.497 8.885 ( -2.384 -0.032 0.643) 2.470 9.107 ( -3.236 -4.356 4.293) 6.919 9.319 ( -3.493 -3.599 2.355) 5.541 9.560 ( 2.213 7.843 -0.969) 8.207 9.800 ( -1.512 2.415 -7.474) 7.998 9.935 ( 3.055 1.784 0.048) 3.538 10.095 ( 1.445 -4.105 -3.736) 5.736 10.473 ( 1.665 -9.753 -15.083) 18.039 10.606 ( 0.376 -0.551 -1.084) 1.273 10.864 ( 3.856 -5.056 -2.466) 6.820 11.163 ( 0.647 -5.542 14.025) 15.094 11.399 ( -0.464 -1.385 -1.459) 2.064 11.483 ( -5.933 -0.882 -4.443) 7.465 11.610 ( -0.806 1.668 -2.314) 2.964 11.683 ( 6.261 3.255 0.349) 7.065 11.804 ( -1.806 -1.330 4.512) 5.038 11.999 ( 3.141 -1.690 -5.617) 6.654 12.084 ( -7.290 -0.527 -2.216) 7.637 12.119 ( -4.812 -3.768 -4.839) 7.795 12.346 ( -3.579 -1.585 -7.931) 8.844 12.710 ( 9.322 5.606 6.720) 12.786 13.236 ( -2.036 8.448 -4.370) 9.727 14.645 ( -3.668 2.503 1.070) 4.568 14.751 ( 2.340 1.483 2.224) 3.552 14.852 ( 1.689 -4.334 3.241) 5.669 15.145 ( -0.634 -4.025 -1.147) 4.233 15.228 ( -0.365 10.370 -1.195) 10.445 15.456 ( -0.503 -2.235 0.306) 2.311 15.542 ( 2.522 1.569 -7.824) 8.369 15.666 ( 3.723 0.156 0.686) 3.789 15.767 ( -5.797 5.499 3.925) 8.902 15.926 ( 4.412 1.704 -0.103) 4.731 16.127 ( -2.702 3.818 6.271) 7.823 16.317 ( -2.056 -6.684 2.406) 7.396 17.277 ( 9.041 -0.295 0.626) 9.067 17.333 ( -11.535 4.901 3.720) 13.074 17.501 ( -1.327 -2.312 -1.370) 2.997 17.673 ( 8.608 7.935 4.488) 12.538 25.540 ( 0.880 -1.529 0.604) 1.865 25.581 ( -0.279 -0.367 -0.005) 0.461 25.624 ( -1.379 -2.014 -0.533) 2.499 25.681 ( -1.261 -0.627 0.291) 1.438 25.872 ( -1.390 1.302 -4.553) 4.935 26.118 ( 1.803 -1.731 -2.450) 3.500 26.382 ( -1.239 0.759 0.375) 1.501 26.447 ( -1.204 -2.222 1.564) 2.972 26.801 ( -1.499 0.881 -5.065) 5.355 27.383 ( -7.454 1.674 -12.400) 14.565 27.701 ( -0.530 -5.027 12.748) 13.713 27.956 ( 4.851 1.209 7.801) 9.266 28.126 ( 2.338 -6.612 3.500) 7.838 28.255 ( 2.347 -3.940 -2.136) 5.059 29.214 ( -2.353 0.949 9.014) 9.364 30.603 ( 6.354 13.346 -10.473) 18.115 ======================= Grid point 127 (58/140) ======================= q-point: (-0.33 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -4.586 -17.952 -2.224) 18.661 2.235 ( -2.870 -12.115 -1.816) 12.582 2.542 ( -12.061 4.477 1.912) 13.006 2.635 ( -1.211 -23.367 -10.959) 25.837 2.687 ( 0.253 -15.363 -2.289) 15.535 2.933 ( -9.745 -13.241 -5.847) 17.449 3.202 ( -1.537 -7.592 -4.557) 8.987 3.275 ( 13.433 -5.516 5.280) 15.451 3.464 ( 0.494 -17.027 4.379) 17.588 3.718 ( 0.710 -0.663 -15.265) 15.296 3.849 ( -0.521 6.412 -0.506) 6.453 3.957 ( 10.204 -1.660 0.042) 10.338 4.068 ( 2.309 -6.899 13.774) 15.577 4.160 ( 3.401 1.067 1.463) 3.853 4.440 ( -7.148 0.357 0.061) 7.158 4.518 ( 7.535 9.566 -0.687) 12.197 4.699 ( -2.196 -6.974 4.417) 8.542 4.843 ( -1.621 -1.760 -1.457) 2.802 5.241 ( -14.601 -9.950 -1.411) 17.725 5.333 ( 3.495 -3.866 11.638) 12.751 5.389 ( -1.220 0.126 -4.662) 4.821 5.497 ( -6.643 -1.165 -4.344) 8.022 5.767 ( -4.843 7.397 -8.201) 12.059 5.913 ( -1.704 -0.188 -2.642) 3.150 5.956 ( 4.638 0.524 -7.474) 8.812 6.183 ( -2.905 -5.750 -4.464) 7.838 6.265 ( 0.716 -2.171 -2.912) 3.702 6.417 ( 13.203 2.867 2.740) 13.786 6.460 ( 5.257 1.707 -3.850) 6.736 6.610 ( -0.684 -2.711 2.870) 4.006 6.706 ( 1.329 3.661 9.286) 10.069 6.826 ( -3.392 2.293 4.996) 6.460 6.968 ( 1.660 8.673 -6.714) 11.093 7.144 ( 6.765 2.847 2.542) 7.767 7.278 ( 0.553 -0.156 11.515) 11.529 7.523 ( 2.835 -0.674 1.277) 3.181 7.798 ( -0.416 -1.181 5.361) 5.506 7.821 ( -4.228 -1.116 3.159) 5.395 7.962 ( -4.551 1.723 -1.335) 5.046 8.123 ( -0.295 0.418 -0.640) 0.820 8.580 ( 1.815 2.333 3.772) 4.792 8.882 ( 1.216 -2.643 -1.844) 3.444 9.005 ( -1.819 -7.576 9.464) 12.259 9.167 ( -1.802 -2.667 3.457) 4.723 9.370 ( -1.715 -2.148 1.423) 3.095 9.485 ( 1.467 1.687 1.893) 2.930 9.700 ( -0.429 4.603 -4.727) 6.612 9.959 ( -1.669 -3.566 -0.598) 3.983 10.115 ( 0.194 -1.147 -6.806) 6.905 10.564 ( 2.334 -4.844 -3.726) 6.542 10.621 ( -0.088 -2.210 -4.084) 4.644 10.967 ( 3.679 -3.781 -0.060) 5.276 11.296 ( -6.355 -3.190 9.472) 11.844 11.388 ( -2.302 0.110 -5.430) 5.898 11.514 ( 1.063 -6.983 -7.967) 10.647 11.569 ( 3.129 1.485 1.823) 3.914 11.646 ( 3.873 6.078 2.031) 7.487 11.846 ( -4.196 -5.266 0.469) 6.749 11.959 ( -1.702 3.112 -4.646) 5.845 12.060 ( 0.010 -1.457 -0.932) 1.730 12.147 ( -1.170 -5.103 -9.340) 10.707 12.399 ( 2.191 -7.833 -1.964) 8.367 12.690 ( 7.178 7.338 5.153) 11.485 13.002 ( -1.235 13.929 -5.261) 14.941 14.595 ( -2.964 -0.075 -0.850) 3.085 14.765 ( 1.724 0.437 2.255) 2.872 14.953 ( 0.762 -3.480 5.082) 6.206 15.050 ( 0.283 8.550 -1.795) 8.741 15.199 ( -0.739 -3.463 -2.328) 4.238 15.461 ( 0.779 2.684 -2.622) 3.832 15.499 ( 2.032 -0.133 -5.029) 5.426 15.606 ( -4.588 7.498 -0.398) 8.799 15.714 ( 2.242 0.384 4.128) 4.713 15.924 ( 4.675 2.861 1.399) 5.657 16.086 ( -3.646 2.635 7.896) 9.088 16.406 ( -1.730 -4.960 -0.052) 5.253 17.160 ( -12.203 6.410 2.956) 14.098 17.308 ( 0.522 2.461 1.156) 2.769 17.526 ( 0.680 -1.701 -2.392) 3.013 17.616 ( 10.290 9.016 6.435) 15.118 25.571 ( -0.788 -0.888 1.648) 2.032 25.600 ( -0.430 -2.463 -0.001) 2.500 25.647 ( -0.977 -2.443 -1.552) 3.054 25.686 ( -0.619 -0.599 -0.067) 0.864 25.822 ( -0.501 1.363 -2.804) 3.158 26.157 ( 3.561 -2.143 -4.293) 5.975 26.369 ( -1.644 -0.431 -0.100) 1.702 26.485 ( -1.507 -2.353 2.882) 4.014 26.749 ( -1.343 0.912 -4.938) 5.198 27.244 ( -5.266 2.610 -8.030) 9.951 27.836 ( 0.756 -3.345 9.195) 9.814 28.090 ( 5.929 -6.957 9.174) 12.951 28.274 ( 1.039 -8.781 2.093) 9.087 28.350 ( 4.698 -5.072 -2.297) 7.285 29.200 ( -4.801 2.366 7.467) 9.187 30.275 ( 1.502 23.009 -10.311) 25.258 ======================= Grid point 128 (59/140) ======================= q-point: (-0.22 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -6.250 -2.684 7.461) 10.096 2.323 ( -15.264 -9.663 -1.500) 18.128 2.600 ( 2.285 -10.264 -2.423) 10.791 2.741 ( -11.534 -9.935 -11.986) 19.375 2.973 ( 4.333 -12.340 8.934) 15.839 3.145 ( 4.973 -15.751 -6.087) 17.603 3.325 ( -4.472 -10.531 -1.717) 11.569 3.474 ( 9.234 -3.142 6.073) 11.490 3.604 ( 6.341 6.710 -12.541) 15.573 3.784 ( 1.833 -12.199 -5.949) 13.695 3.833 ( 2.779 -8.374 3.239) 9.398 4.067 ( 6.944 0.718 3.132) 7.651 4.102 ( -3.022 1.991 0.372) 3.638 4.265 ( 2.376 0.347 2.955) 3.808 4.349 ( -3.664 -1.340 1.927) 4.351 4.467 ( 7.853 2.447 1.010) 8.287 4.828 ( 1.927 -1.762 2.789) 3.821 4.855 ( 1.146 -3.878 -0.250) 4.051 5.223 ( -10.986 0.568 1.150) 11.060 5.297 ( -3.890 3.716 -5.709) 7.844 5.417 ( -16.990 -5.796 -5.237) 18.700 5.558 ( -4.123 2.633 -8.841) 10.104 5.611 ( 7.042 -7.308 12.553) 16.143 5.784 ( -0.624 6.281 -4.997) 8.051 5.991 ( 1.605 -0.674 0.759) 1.899 6.170 ( -5.669 0.837 -1.576) 5.944 6.334 ( -1.435 -3.403 -1.254) 3.900 6.459 ( 3.519 0.626 -3.853) 5.255 6.516 ( 10.552 -2.778 -2.155) 11.122 6.660 ( 1.132 -2.288 0.547) 2.611 6.692 ( -0.754 5.734 3.380) 6.699 6.764 ( -1.493 0.234 -1.904) 2.431 6.933 ( 3.888 -2.889 5.595) 7.401 7.170 ( 8.725 2.442 3.268) 9.631 7.379 ( 1.966 -2.060 9.244) 9.672 7.529 ( 0.795 0.817 -0.009) 1.140 7.693 ( -11.206 6.295 2.483) 13.091 7.830 ( -0.156 0.514 2.342) 2.402 7.956 ( 0.828 -2.787 -3.218) 4.337 8.146 ( 1.878 -1.685 -2.420) 3.496 8.579 ( 3.029 1.831 2.823) 4.527 8.961 ( 4.658 -4.866 -3.519) 7.600 9.115 ( -4.380 -3.482 10.505) 11.902 9.228 ( 0.055 -2.992 6.031) 6.733 9.345 ( -2.309 3.320 3.300) 5.219 9.517 ( -1.061 0.800 -2.942) 3.228 9.621 ( 1.128 0.441 0.722) 1.410 10.001 ( -5.832 -5.567 -2.413) 8.416 10.089 ( 1.608 1.199 -5.349) 5.713 10.639 ( 1.462 -1.914 -3.147) 3.963 10.641 ( 0.564 -3.186 2.045) 3.827 11.018 ( 0.482 0.459 -0.219) 0.701 11.314 ( -2.259 1.448 -4.994) 5.669 11.337 ( -4.839 -4.128 4.549) 7.820 11.506 ( 2.716 3.635 0.127) 4.539 11.559 ( 3.588 8.101 2.368) 9.171 11.634 ( -3.785 -4.859 -4.094) 7.396 11.867 ( -2.990 2.690 -3.705) 5.468 11.943 ( 2.719 -5.025 -0.076) 5.714 12.107 ( 4.731 -0.990 -0.045) 4.834 12.150 ( -2.176 -0.661 -7.667) 7.997 12.517 ( 5.849 3.333 -3.074) 7.400 12.632 ( -1.329 -0.239 2.312) 2.677 12.838 ( 5.664 0.921 -2.703) 6.343 14.603 ( -2.098 -4.444 -2.176) 5.374 14.774 ( 1.530 1.233 1.935) 2.757 14.914 ( -3.134 3.014 0.018) 4.348 15.064 ( 4.283 -2.271 1.767) 5.160 15.201 ( -3.666 1.626 0.743) 4.079 15.409 ( 1.756 1.090 -3.462) 4.032 15.438 ( -4.685 4.531 -2.029) 6.826 15.521 ( 4.287 1.042 -3.427) 5.586 15.735 ( -0.038 0.034 2.144) 2.145 15.920 ( 5.806 4.136 3.154) 7.795 16.060 ( -4.522 1.492 8.714) 9.930 16.458 ( -0.822 -3.436 -2.063) 4.091 16.976 ( -11.497 6.425 4.034) 13.775 17.224 ( -4.970 5.350 2.373) 7.678 17.534 ( 1.407 -0.548 -2.952) 3.316 17.615 ( 10.718 4.772 1.981) 11.898 25.578 ( -1.732 -0.268 2.483) 3.039 25.640 ( -1.216 -2.755 -0.011) 3.012 25.671 ( -1.484 -1.852 -0.605) 2.449 25.693 ( 1.212 -0.621 -0.697) 1.529 25.796 ( 0.394 0.852 -0.685) 1.162 26.190 ( 4.829 -1.010 -6.641) 8.273 26.375 ( -0.973 -1.142 1.112) 1.868 26.519 ( -2.185 -2.047 -0.972) 3.148 26.717 ( -0.546 0.256 1.840) 1.936 27.148 ( -2.856 1.322 -4.906) 5.829 27.909 ( -1.172 -1.503 6.142) 6.431 28.302 ( 5.265 -6.561 7.411) 11.211 28.456 ( 4.456 -6.248 -4.765) 9.033 28.488 ( 6.254 -11.670 3.474) 13.689 29.132 ( -6.425 4.078 4.334) 8.757 29.805 ( -4.434 25.127 -8.970) 27.046 ======================= Grid point 129 (60/140) ======================= q-point: (-0.11 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -5.169 2.442 11.562) 12.898 2.466 ( -5.426 -14.788 1.023) 15.785 2.545 ( -4.385 4.632 -7.801) 10.077 2.906 ( -2.146 -10.861 -0.139) 11.071 3.151 ( 0.299 0.247 10.278) 10.285 3.382 ( 5.249 -10.684 -7.783) 14.223 3.434 ( -1.806 -2.806 5.418) 6.363 3.512 ( 6.830 1.912 -5.597) 9.035 3.630 ( 5.386 -7.430 0.439) 9.188 3.809 ( -2.678 1.816 -4.727) 5.729 3.984 ( 4.290 3.615 -2.261) 6.049 4.037 ( 0.741 3.027 2.039) 3.724 4.128 ( 1.197 -4.953 -5.259) 7.323 4.245 ( -2.803 -4.651 -2.131) 5.833 4.441 ( -2.978 -2.322 9.872) 10.570 4.535 ( 8.393 -4.071 -6.694) 11.481 4.794 ( 4.695 6.345 3.947) 8.825 4.980 ( 5.728 -1.661 1.104) 6.066 5.095 ( -9.414 3.028 6.197) 11.671 5.153 ( -0.389 6.863 -5.660) 8.904 5.342 ( -7.265 -2.391 -3.017) 8.222 5.537 ( -7.517 -6.515 -8.401) 13.020 5.686 ( -0.946 1.239 -3.125) 3.492 5.819 ( 2.654 -3.862 9.724) 10.795 6.038 ( 0.458 -2.124 2.251) 3.128 6.089 ( -2.604 2.969 3.833) 5.503 6.346 ( -1.806 -1.240 -2.627) 3.421 6.433 ( -1.111 0.845 -4.590) 4.798 6.522 ( -5.103 3.458 -4.002) 7.350 6.603 ( -0.028 -0.201 2.752) 2.760 6.743 ( 4.399 0.791 1.210) 4.631 6.806 ( 4.473 -2.740 -1.230) 5.388 7.057 ( 4.967 -2.663 3.947) 6.880 7.225 ( 4.980 0.290 3.143) 5.897 7.374 ( -1.219 4.289 -2.262) 5.000 7.529 ( -8.220 4.060 -1.810) 9.345 7.546 ( 4.495 0.658 1.225) 4.705 7.835 ( -1.024 -0.192 4.530) 4.648 8.005 ( 1.941 -3.221 -1.416) 4.019 8.166 ( 2.371 -0.402 -2.569) 3.519 8.602 ( 1.977 -0.798 2.862) 3.569 9.052 ( 3.739 -4.276 -5.623) 7.993 9.169 ( -2.428 1.153 5.660) 6.266 9.279 ( -5.173 -0.960 6.869) 8.652 9.306 ( -4.028 -0.191 2.309) 4.647 9.407 ( -0.524 4.444 -1.459) 4.706 9.680 ( 0.921 -1.774 2.279) 3.031 10.040 ( -4.697 -5.405 -2.142) 7.474 10.054 ( 3.282 2.364 -2.598) 4.807 10.653 ( -2.716 -1.070 1.107) 3.122 10.707 ( 3.340 -1.004 1.331) 3.733 10.969 ( -0.054 2.897 -1.833) 3.429 11.289 ( -2.733 -3.429 -3.893) 5.864 11.341 ( -0.518 4.159 -4.766) 6.347 11.470 ( 1.442 5.889 1.053) 6.154 11.516 ( 2.361 -2.452 7.378) 8.125 11.682 ( -3.882 -6.920 -1.165) 8.020 11.804 ( 0.100 1.050 -2.944) 3.128 11.975 ( 3.908 5.585 3.648) 7.731 12.043 ( -3.788 4.778 -4.338) 7.483 12.147 ( 4.005 -0.203 -1.973) 4.469 12.428 ( 8.309 4.352 -5.279) 10.763 12.735 ( -2.693 -7.287 1.185) 7.859 12.951 ( 0.891 -8.861 -0.148) 8.907 14.689 ( 0.528 -6.760 -1.054) 6.862 14.767 ( 1.939 2.035 0.611) 2.877 14.872 ( -3.973 -1.233 -1.097) 4.302 15.060 ( -0.107 6.231 0.920) 6.299 15.174 ( 0.981 0.115 4.229) 4.343 15.315 ( -1.890 3.824 -1.960) 4.694 15.455 ( 2.164 -4.437 -4.501) 6.681 15.516 ( 2.971 1.315 -2.205) 3.927 15.741 ( -3.613 -1.887 0.194) 4.081 15.905 ( 3.686 3.683 3.857) 6.483 16.048 ( -4.228 1.022 8.173) 9.259 16.493 ( 0.300 -2.410 -2.427) 3.434 16.823 ( -7.254 5.472 4.484) 10.132 17.120 ( -3.870 3.646 2.675) 5.952 17.547 ( 1.908 -1.665 -4.964) 5.573 17.610 ( 6.844 4.282 -1.669) 8.244 25.581 ( -1.667 -0.069 3.111) 3.530 25.657 ( -0.725 0.297 0.283) 0.833 25.684 ( -0.821 -1.600 0.511) 1.870 25.724 ( 0.527 -2.197 -0.085) 2.261 25.785 ( 0.212 0.646 -0.034) 0.681 26.207 ( 5.551 -0.522 -6.746) 8.752 26.391 ( -0.632 -0.231 1.296) 1.460 26.494 ( -3.432 -0.157 -6.066) 6.971 26.769 ( 1.940 -1.617 11.428) 11.704 27.102 ( -1.573 -0.298 -4.461) 4.740 27.932 ( -2.826 -0.094 4.179) 5.046 28.417 ( -0.534 -1.736 1.784) 2.546 28.560 ( 4.068 -5.295 -7.443) 9.999 28.800 ( 12.413 -14.134 5.083) 19.486 29.009 ( -6.889 5.783 0.293) 8.999 29.348 ( -5.952 19.460 -3.607) 20.667 ======================= Grid point 135 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 10.214 -0.000 -13.033) 16.558 1.716 ( -3.316 0.000 -13.351) 13.757 2.205 ( -9.459 0.000 6.355) 11.396 2.270 ( 9.072 -0.000 -2.857) 9.512 2.610 ( -31.964 0.000 -5.092) 32.367 2.664 ( -6.631 0.000 -5.472) 8.597 3.097 ( -0.272 0.000 -0.340) 0.436 3.128 ( -0.410 0.000 1.611) 1.663 3.260 ( 16.512 -0.000 6.001) 17.569 3.757 ( -8.150 0.000 -20.070) 21.661 3.801 ( 11.424 -0.000 -1.595) 11.535 3.931 ( -2.255 0.000 5.477) 5.923 4.002 ( -2.659 0.000 8.606) 9.008 4.186 ( -5.556 0.000 1.891) 5.869 4.335 ( 9.900 -0.000 2.457) 10.200 4.552 ( -5.791 0.000 1.078) 5.891 4.764 ( 1.386 -0.000 -6.022) 6.179 4.925 ( 5.888 -0.000 9.457) 11.141 5.062 ( -21.966 0.000 -0.464) 21.971 5.185 ( 12.966 -0.000 8.430) 15.465 5.382 ( 3.943 -0.000 -7.195) 8.205 5.514 ( -6.841 0.000 -7.078) 9.844 5.785 ( 4.791 -0.000 0.354) 4.804 5.964 ( 5.209 -0.000 0.258) 5.215 5.995 ( -1.677 0.000 -8.543) 8.706 6.005 ( 1.814 -0.000 -5.078) 5.392 6.332 ( -9.419 0.000 0.075) 9.419 6.364 ( 9.042 -0.000 -5.422) 10.543 6.544 ( 6.952 -0.000 5.264) 8.720 6.619 ( -2.818 0.000 3.232) 4.288 6.806 ( -5.688 0.000 3.983) 6.944 6.914 ( 1.782 -0.000 4.888) 5.202 7.198 ( 0.191 -0.000 -12.621) 12.622 7.201 ( 2.836 -0.000 -4.343) 5.187 7.245 ( -3.669 0.000 9.745) 10.413 7.573 ( 9.746 -0.000 3.839) 10.475 7.663 ( 10.832 -0.000 10.980) 15.424 7.769 ( -4.248 0.000 7.894) 8.964 7.990 ( -5.277 0.000 3.762) 6.481 8.259 ( -6.435 0.000 -0.546) 6.458 8.668 ( -4.890 0.000 6.332) 8.001 8.737 ( 8.439 -0.000 1.306) 8.540 8.870 ( -1.118 0.000 1.965) 2.260 9.057 ( -3.331 0.000 3.649) 4.941 9.271 ( -2.720 0.000 2.387) 3.619 9.643 ( -1.085 0.000 -1.994) 2.270 9.773 ( -0.518 0.000 -6.940) 6.959 9.964 ( -1.665 0.000 -1.980) 2.587 10.093 ( 9.238 -0.000 -2.349) 9.532 10.261 ( 0.973 -0.000 -18.900) 18.925 10.604 ( -2.502 0.000 0.401) 2.534 10.813 ( 1.704 -0.000 -3.220) 3.643 11.200 ( -0.268 0.000 14.374) 14.377 11.378 ( -11.586 0.000 -5.762) 12.940 11.386 ( 1.074 -0.000 -1.312) 1.696 11.592 ( -1.703 0.000 0.036) 1.704 11.764 ( 1.462 -0.000 0.145) 1.469 11.830 ( 5.299 -0.000 5.090) 7.347 11.917 ( -5.335 0.000 -8.307) 9.873 12.044 ( 1.655 -0.000 -4.153) 4.471 12.063 ( -0.047 0.000 -5.385) 5.386 12.283 ( 0.918 -0.000 -6.635) 6.699 12.857 ( 7.211 -0.000 6.546) 9.739 13.265 ( -1.947 0.000 -6.094) 6.397 14.656 ( -2.577 0.000 0.864) 2.718 14.809 ( 1.540 -0.000 1.419) 2.094 14.835 ( 2.836 -0.000 6.520) 7.110 15.078 ( -4.326 0.000 -1.196) 4.489 15.336 ( 5.703 -0.000 -6.443) 8.604 15.429 ( -0.996 0.000 0.884) 1.332 15.549 ( 2.704 -0.000 -2.858) 3.934 15.688 ( 2.963 -0.000 -0.023) 2.963 15.796 ( -6.239 0.000 4.892) 7.928 15.967 ( 3.859 -0.000 -1.897) 4.300 16.175 ( -7.017 0.000 6.374) 9.479 16.246 ( 1.855 -0.000 3.066) 3.583 17.299 ( -13.765 0.000 6.606) 15.268 17.356 ( 7.096 -0.000 0.532) 7.116 17.449 ( -0.350 0.000 -3.827) 3.842 17.842 ( 9.079 -0.000 7.270) 11.631 25.537 ( 1.121 -0.000 0.504) 1.229 25.577 ( -0.302 0.000 -1.115) 1.155 25.585 ( -3.132 0.000 0.744) 3.219 25.670 ( -0.254 0.000 -0.216) 0.333 25.847 ( -1.333 0.000 -4.895) 5.073 26.102 ( 1.881 -0.000 -3.202) 3.713 26.372 ( -3.176 0.000 -0.448) 3.208 26.425 ( -0.322 0.000 1.281) 1.321 26.779 ( -1.366 0.000 -3.681) 3.926 27.281 ( -5.085 0.000 -13.224) 14.168 27.698 ( -2.675 0.000 13.785) 14.042 28.029 ( 0.861 -0.000 2.443) 2.590 28.125 ( 5.792 -0.000 5.681) 8.113 28.239 ( 4.817 -0.000 -0.175) 4.820 29.249 ( -4.646 0.000 11.812) 12.693 30.719 ( 7.112 -0.000 -11.285) 13.339 ======================= Grid point 136 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -0.568 -12.937 -8.357) 15.412 1.946 ( -3.787 -22.196 -14.376) 26.715 2.249 ( -2.645 -10.135 2.341) 10.733 2.330 ( -30.682 -3.447 -5.112) 31.295 2.491 ( 4.545 -13.787 5.090) 15.383 2.699 ( 1.173 -8.964 -3.027) 9.533 3.106 ( -6.429 0.439 -2.898) 7.065 3.140 ( 0.315 -8.556 -4.237) 9.552 3.402 ( 2.584 -4.985 7.748) 9.569 3.620 ( 0.491 -2.134 -11.233) 11.444 3.857 ( -1.420 -4.591 -7.277) 8.721 4.026 ( 11.875 -1.143 3.842) 12.533 4.072 ( 5.717 0.471 8.743) 10.457 4.235 ( -3.683 -8.609 -3.817) 10.111 4.337 ( 4.340 6.858 8.040) 11.424 4.499 ( -10.036 -2.929 -5.826) 11.969 4.711 ( -1.203 2.004 -2.153) 3.178 4.913 ( 2.948 8.096 7.131) 11.184 5.006 ( -11.288 -5.055 5.722) 13.627 5.320 ( 1.305 -0.900 -8.206) 8.357 5.415 ( 9.697 -2.856 9.577) 13.925 5.483 ( 0.216 -0.267 -0.067) 0.350 5.777 ( -0.013 3.571 -4.376) 5.648 5.910 ( -0.121 2.078 -8.053) 8.318 5.992 ( 3.703 1.047 -5.662) 6.846 6.052 ( 3.820 -5.322 -3.973) 7.662 6.235 ( -5.656 1.241 -1.699) 6.034 6.447 ( 6.216 -2.772 -3.582) 7.691 6.580 ( 4.625 1.784 3.596) 6.124 6.593 ( -2.752 1.643 0.137) 3.209 6.757 ( -6.773 1.845 4.533) 8.356 6.914 ( 1.917 4.111 7.087) 8.414 7.066 ( 0.685 6.090 -10.862) 12.471 7.241 ( 5.399 -1.593 1.732) 5.890 7.287 ( -2.413 -0.566 9.354) 9.677 7.599 ( 7.833 4.174 1.139) 8.949 7.786 ( -3.141 -1.350 5.015) 6.069 7.834 ( 7.455 -1.840 5.894) 9.680 7.970 ( -6.130 2.332 6.792) 9.442 8.138 ( -5.349 3.818 -0.647) 6.603 8.644 ( -0.761 1.051 3.913) 4.123 8.842 ( 4.956 -2.480 -0.996) 5.631 8.942 ( 1.337 -5.463 9.927) 11.410 9.094 ( -2.451 -4.802 2.342) 5.879 9.302 ( -1.513 -3.669 2.391) 4.634 9.560 ( -1.793 4.836 -0.581) 5.190 9.720 ( -0.221 2.158 -6.304) 6.667 9.924 ( -2.394 2.183 -2.793) 4.277 10.049 ( 0.731 -0.466 -9.139) 9.180 10.442 ( 8.747 -14.210 -7.555) 18.318 10.574 ( -3.589 -0.276 -0.513) 3.636 10.872 ( 1.383 -7.434 -3.852) 8.486 11.247 ( -9.946 -0.861 6.997) 12.191 11.304 ( -2.249 -3.678 -3.211) 5.375 11.404 ( 1.402 -2.123 -1.911) 3.182 11.597 ( -0.876 -0.834 1.859) 2.218 11.750 ( -3.306 -0.138 0.924) 3.435 11.788 ( -0.498 3.286 -2.710) 4.288 11.960 ( 1.820 -4.476 0.043) 4.832 11.991 ( 0.192 3.438 -5.741) 6.694 12.088 ( 5.532 -1.934 -5.632) 8.128 12.311 ( 5.593 -4.165 -4.681) 8.399 12.884 ( 4.794 5.468 5.530) 9.136 13.151 ( -0.939 8.249 -7.079) 10.911 14.602 ( -2.810 3.350 0.278) 4.381 14.813 ( 2.156 1.461 2.407) 3.546 14.928 ( 1.339 -3.607 7.623) 8.539 15.072 ( -3.567 -3.201 -2.815) 5.558 15.249 ( 3.644 9.536 -4.152) 11.020 15.459 ( 2.957 -3.163 -5.181) 6.752 15.522 ( 1.083 4.153 -0.652) 4.341 15.687 ( -3.488 5.406 0.262) 6.439 15.748 ( 1.125 0.399 2.660) 2.916 15.990 ( 3.923 -0.154 0.286) 3.937 16.130 ( -6.313 1.845 7.674) 10.107 16.320 ( 0.617 -4.066 1.688) 4.445 17.173 ( -14.770 4.490 5.426) 16.363 17.357 ( 0.622 3.224 -0.194) 3.289 17.484 ( 2.377 -3.124 -2.766) 4.802 17.880 ( 9.040 8.118 9.474) 15.407 25.557 ( -0.020 -1.609 -1.453) 2.168 25.562 ( -2.096 -0.179 2.374) 3.172 25.591 ( -1.561 -2.081 -0.475) 2.644 25.675 ( 0.518 -0.519 -0.437) 0.854 25.814 ( -0.736 0.246 -3.344) 3.433 26.123 ( 3.117 -2.588 -5.108) 6.520 26.350 ( -2.502 -0.200 1.204) 2.784 26.444 ( -0.600 -1.858 0.269) 1.971 26.743 ( -1.418 0.996 -2.010) 2.654 27.184 ( -3.919 0.448 -10.189) 10.926 27.799 ( -1.912 -5.722 10.270) 11.910 28.075 ( 3.313 -3.530 5.244) 7.137 28.194 ( 1.853 -3.217 0.725) 3.783 28.321 ( 6.805 -2.932 0.404) 7.421 29.248 ( -6.068 2.341 12.318) 13.929 30.575 ( 4.155 16.294 -12.187) 20.767 ======================= Grid point 137 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -6.183 -21.167 -1.332) 22.092 2.079 ( -19.654 -3.701 0.279) 20.001 2.284 ( -8.996 -20.843 -6.763) 23.688 2.351 ( -15.062 -12.166 -8.981) 21.344 2.850 ( 8.357 -14.664 8.679) 18.979 2.931 ( 9.840 -15.319 -2.957) 18.446 3.102 ( -6.965 -8.148 -0.537) 10.732 3.376 ( 1.890 -19.388 -6.714) 20.604 3.553 ( -1.649 -10.247 4.819) 11.443 3.667 ( 10.231 -0.340 -6.715) 12.242 3.849 ( 3.043 3.145 -2.881) 5.239 4.113 ( 6.462 3.316 -1.293) 7.377 4.170 ( -2.073 -10.494 2.058) 10.893 4.209 ( 1.614 4.279 -1.679) 4.872 4.346 ( 0.147 3.622 2.870) 4.624 4.547 ( -2.157 -11.345 -2.911) 11.910 4.690 ( -3.467 -1.608 2.576) 4.609 4.855 ( 1.302 3.062 11.000) 11.492 5.046 ( -5.316 -2.860 6.834) 9.118 5.269 ( -2.779 1.128 -5.995) 6.703 5.432 ( 0.842 6.152 -4.546) 7.696 5.577 ( 2.697 1.164 1.467) 3.283 5.638 ( 0.387 1.686 -2.069) 2.696 5.841 ( 0.030 2.920 -5.214) 5.976 6.006 ( 3.586 0.469 -1.000) 3.753 6.082 ( -0.610 -2.029 -6.300) 6.647 6.269 ( 0.519 -3.910 -0.153) 3.947 6.467 ( 1.169 -0.390 -1.417) 1.878 6.524 ( -4.788 1.700 -2.993) 5.897 6.652 ( 4.388 -2.930 0.355) 5.288 6.715 ( -0.149 0.217 3.148) 3.159 6.856 ( -0.084 7.537 -2.539) 7.954 6.970 ( 3.199 0.879 3.081) 4.528 7.284 ( 2.695 3.032 6.175) 7.388 7.377 ( 3.407 -4.081 6.156) 8.134 7.593 ( 5.505 3.918 0.442) 6.771 7.710 ( -13.322 5.453 3.014) 14.707 7.858 ( 0.111 -1.012 -2.945) 3.116 7.938 ( 1.792 1.704 8.356) 8.715 8.143 ( 4.253 -1.173 0.726) 4.471 8.656 ( 2.745 1.079 3.667) 4.706 8.923 ( 6.202 -3.034 -1.379) 7.041 9.075 ( -2.229 -4.268 10.632) 11.672 9.187 ( -0.619 -5.208 4.158) 6.692 9.355 ( -1.784 -1.074 1.092) 2.352 9.490 ( -3.486 0.476 0.030) 3.518 9.650 ( 0.217 2.474 -4.687) 5.304 9.865 ( -5.454 -2.029 -4.194) 7.173 10.052 ( 1.044 -2.855 -6.823) 7.469 10.564 ( -5.021 -2.619 1.460) 5.849 10.637 ( 7.052 -3.996 -0.653) 8.132 10.988 ( 0.500 -4.351 -1.991) 4.811 11.231 ( -4.664 -3.897 -3.155) 6.848 11.305 ( -2.549 -0.063 -0.049) 2.550 11.480 ( 0.281 -5.078 -3.692) 6.284 11.599 ( -0.661 1.379 1.162) 1.921 11.722 ( 2.404 4.307 0.756) 4.990 11.797 ( -4.169 -4.704 0.014) 6.286 11.914 ( 4.123 0.003 -3.052) 5.130 12.042 ( -1.038 -4.092 -2.043) 4.690 12.129 ( 5.178 -0.848 -2.092) 5.649 12.446 ( 7.444 -7.766 -5.905) 12.272 12.819 ( 4.497 10.133 3.824) 11.727 12.948 ( 2.005 9.678 -6.441) 11.797 14.543 ( -2.395 0.366 -0.414) 2.458 14.816 ( 1.512 1.355 2.323) 3.085 14.985 ( -2.294 5.988 1.200) 6.524 15.063 ( 0.950 -1.998 4.941) 5.414 15.159 ( -0.415 -1.880 -4.234) 4.651 15.440 ( -0.688 4.508 -1.738) 4.880 15.488 ( 0.196 3.094 -2.947) 4.277 15.557 ( 1.643 3.071 -2.829) 4.487 15.757 ( 1.282 1.380 -0.848) 2.066 16.028 ( 3.501 1.396 3.363) 5.052 16.099 ( -4.009 1.374 8.869) 9.830 16.388 ( 1.019 -3.219 -1.212) 3.588 16.999 ( -13.882 5.655 5.136) 15.845 17.271 ( -6.651 4.701 2.079) 8.406 17.518 ( 1.229 -0.946 -2.529) 2.967 17.836 ( 9.499 9.522 5.363) 14.480 25.562 ( -3.036 -1.239 1.967) 3.824 25.584 ( -0.856 -2.118 -0.122) 2.288 25.620 ( -1.074 -2.547 -0.092) 2.766 25.688 ( 1.023 -0.591 -0.651) 1.349 25.801 ( 0.458 -0.118 -1.253) 1.340 26.175 ( 5.986 -2.374 -6.598) 9.220 26.357 ( -1.026 -1.100 2.862) 3.234 26.464 ( -0.848 -1.492 -3.303) 3.722 26.731 ( -0.871 -0.618 5.061) 5.173 27.113 ( -1.865 0.329 -7.057) 7.307 27.895 ( -1.939 -2.581 5.451) 6.335 28.271 ( 6.261 -7.138 5.483) 10.964 28.300 ( 2.698 -11.192 -0.268) 11.516 28.418 ( 4.929 -4.125 -1.929) 6.711 29.194 ( -6.601 4.953 10.544) 13.389 30.145 ( -4.582 26.281 -12.456) 29.442 ======================= Grid point 138 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -20.441 -3.912 9.919) 23.054 2.135 ( -6.538 -21.047 1.595) 22.097 2.353 ( -8.372 -10.959 -11.862) 18.191 2.657 ( 1.446 -20.616 0.071) 20.667 3.139 ( 2.968 -10.803 2.473) 11.473 3.187 ( -0.939 -7.838 1.156) 7.979 3.247 ( 1.821 -13.161 -2.053) 13.444 3.581 ( 6.572 -1.522 -5.031) 8.415 3.652 ( 4.287 1.008 0.110) 4.406 3.772 ( 2.441 -7.617 -3.426) 8.701 3.911 ( 3.782 -10.745 -0.370) 11.397 4.016 ( -3.467 3.618 0.270) 5.018 4.196 ( 2.656 2.748 -10.585) 11.253 4.252 ( 6.634 4.935 5.231) 9.784 4.390 ( -0.806 -7.786 3.673) 8.646 4.575 ( 4.154 4.494 1.351) 6.267 4.768 ( -11.623 -11.424 2.285) 16.457 4.995 ( 7.131 -6.775 9.213) 13.477 5.070 ( -4.835 0.271 6.947) 8.468 5.141 ( -6.646 5.274 -6.324) 10.582 5.324 ( 3.960 6.429 -1.206) 7.647 5.432 ( 0.809 3.306 -10.947) 11.464 5.756 ( 1.826 2.262 -3.235) 4.349 5.777 ( -1.444 -4.702 7.181) 8.704 5.990 ( -3.161 -0.628 -4.693) 5.694 6.106 ( 1.910 -1.006 1.899) 2.876 6.279 ( -1.340 -1.541 -3.698) 4.225 6.421 ( -7.339 2.123 -0.593) 7.663 6.496 ( -2.761 -0.183 -1.390) 3.097 6.653 ( 0.833 4.038 -2.788) 4.977 6.738 ( 3.885 -2.691 -3.877) 6.113 6.884 ( 11.960 -1.841 5.516) 13.299 7.030 ( 1.318 -3.319 2.506) 4.362 7.269 ( -4.210 1.337 5.565) 7.105 7.433 ( -0.452 5.089 -1.261) 5.262 7.478 ( -4.323 1.966 1.291) 4.921 7.660 ( 3.534 2.518 3.753) 5.737 7.855 ( -0.360 -0.061 0.381) 0.527 7.978 ( 2.919 -0.946 2.398) 3.894 8.197 ( 6.416 0.104 0.821) 6.469 8.672 ( 4.432 2.752 3.681) 6.385 9.006 ( 5.732 -2.606 -3.823) 7.367 9.177 ( -1.035 -3.073 8.309) 8.919 9.257 ( -3.372 -1.686 5.395) 6.582 9.283 ( -6.734 3.004 -0.605) 7.398 9.457 ( -1.444 2.942 -3.955) 5.136 9.640 ( -0.385 -3.101 1.506) 3.468 9.879 ( -5.177 -6.558 -3.253) 8.966 10.080 ( 3.490 -1.277 -3.955) 5.427 10.580 ( -5.338 -3.454 0.259) 6.363 10.720 ( 2.763 -1.344 2.352) 3.869 10.989 ( -2.374 0.884 -0.028) 2.534 11.213 ( -1.189 -0.872 -6.465) 6.631 11.355 ( 0.860 -2.799 2.256) 3.696 11.516 ( -1.221 -2.966 -2.187) 3.882 11.564 ( -0.900 1.409 1.838) 2.484 11.620 ( 1.180 9.159 -1.869) 9.421 11.788 ( -3.317 -3.071 -1.455) 4.749 11.996 ( -4.726 0.942 1.516) 5.052 12.083 ( 8.738 -4.112 -4.032) 10.465 12.179 ( 2.761 0.785 2.946) 4.113 12.585 ( 2.365 -7.294 -6.035) 9.758 12.645 ( 8.027 13.844 -0.976) 16.033 12.893 ( 4.880 -0.329 -2.711) 5.592 14.573 ( 0.392 -5.503 -0.186) 5.520 14.791 ( -3.068 2.134 -1.188) 3.921 14.882 ( 0.099 2.761 3.302) 4.305 15.151 ( 3.371 0.604 -0.180) 3.429 15.166 ( -2.004 -1.858 3.948) 4.802 15.358 ( -3.292 4.066 -0.858) 5.301 15.393 ( -0.597 0.135 -2.015) 2.106 15.557 ( 5.965 1.464 -5.922) 8.532 15.721 ( -0.357 1.851 -2.832) 3.403 16.004 ( -2.850 3.551 5.497) 7.138 16.105 ( 0.468 2.863 8.228) 8.725 16.438 ( 1.948 -2.986 -3.068) 4.703 16.849 ( -10.985 3.251 6.130) 12.993 17.149 ( -7.974 3.644 3.118) 9.305 17.524 ( 1.174 -0.532 -3.125) 3.380 17.764 ( 7.218 8.360 -0.976) 11.088 25.568 ( -3.007 -0.901 2.782) 4.194 25.622 ( -1.418 -3.447 0.399) 3.748 25.649 ( -1.042 -1.624 0.191) 1.939 25.703 ( 1.122 -0.744 -0.881) 1.609 25.804 ( 1.066 0.470 -0.047) 1.166 26.218 ( 7.281 -0.410 -6.301) 9.638 26.380 ( -1.211 -0.771 0.191) 1.448 26.453 ( -0.623 -0.423 -1.973) 2.112 26.807 ( 1.635 -2.751 11.534) 11.970 27.073 ( 0.679 0.523 -5.354) 5.422 27.922 ( -2.741 -0.639 3.203) 4.264 28.403 ( 3.043 -3.304 1.680) 4.795 28.453 ( 2.291 -5.261 -7.727) 9.625 28.639 ( 8.102 -15.334 0.479) 17.350 29.088 ( -6.458 7.031 8.039) 12.481 29.608 ( -10.035 22.488 -7.669) 25.791 ======================= Grid point 145 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -16.255 0.000 -15.831) 22.690 1.577 ( 6.566 -0.000 -9.376) 11.446 1.961 ( -33.006 0.000 -11.868) 35.075 2.232 ( -3.796 0.000 7.559) 8.458 2.437 ( 3.541 -0.000 8.577) 9.279 2.601 ( 9.751 -0.000 -5.219) 11.060 2.975 ( -29.840 0.000 -11.997) 32.161 3.095 ( 2.264 -0.000 -1.557) 2.748 3.266 ( -10.239 0.000 8.028) 13.011 3.623 ( 9.722 -0.000 -2.528) 10.046 3.736 ( -5.605 0.000 -5.621) 7.937 4.124 ( 15.114 -0.000 3.529) 15.521 4.181 ( 11.251 -0.000 3.937) 11.920 4.225 ( 5.702 -0.000 5.288) 7.777 4.340 ( -13.350 0.000 -7.116) 15.128 4.477 ( 3.703 -0.000 6.899) 7.830 4.726 ( 0.181 -0.000 -2.934) 2.940 4.906 ( -8.336 0.000 9.655) 12.756 5.024 ( 5.889 -0.000 -4.966) 7.703 5.311 ( -0.393 0.000 -5.019) 5.034 5.437 ( 4.326 -0.000 1.994) 4.763 5.551 ( 7.493 -0.000 9.121) 11.805 5.855 ( 1.106 -0.000 -8.212) 8.286 5.883 ( -4.058 0.000 -9.018) 9.889 5.904 ( 4.869 -0.000 -0.438) 4.889 6.086 ( 9.729 -0.000 -3.532) 10.350 6.189 ( -7.241 0.000 -0.067) 7.241 6.451 ( 5.371 -0.000 -0.772) 5.426 6.585 ( -1.627 0.000 -3.018) 3.429 6.602 ( -4.593 0.000 0.105) 4.594 6.748 ( -5.007 0.000 5.475) 7.419 7.013 ( 3.957 -0.000 3.007) 4.970 7.062 ( -1.198 0.000 -10.534) 10.602 7.203 ( -1.774 0.000 6.402) 6.643 7.357 ( 5.278 -0.000 4.225) 6.761 7.684 ( -1.362 0.000 2.286) 2.661 7.820 ( 2.883 -0.000 -3.438) 4.487 7.855 ( 4.817 -0.000 3.121) 5.740 8.032 ( -1.309 0.000 18.823) 18.869 8.126 ( -4.772 0.000 -0.229) 4.778 8.630 ( -2.993 0.000 -0.020) 2.993 8.917 ( 10.441 -0.000 3.577) 11.037 8.935 ( 1.024 -0.000 10.145) 10.197 9.035 ( -2.218 0.000 0.789) 2.354 9.278 ( -0.074 0.000 3.666) 3.667 9.562 ( -5.178 0.000 -4.670) 6.973 9.726 ( 0.850 -0.000 -3.222) 3.332 9.911 ( -1.084 0.000 -3.598) 3.758 10.128 ( 4.054 -0.000 -15.412) 15.936 10.188 ( 6.494 -0.000 -4.275) 7.775 10.533 ( -6.406 0.000 -0.248) 6.411 10.787 ( -0.803 0.000 -3.444) 3.536 11.151 ( -11.064 0.000 -1.351) 11.146 11.279 ( -4.288 0.000 5.901) 7.295 11.397 ( 2.372 -0.000 -1.713) 2.925 11.588 ( -1.440 0.000 2.216) 2.643 11.695 ( -6.210 0.000 -2.656) 6.754 11.754 ( -2.971 0.000 -6.433) 7.086 11.999 ( 4.728 -0.000 3.628) 5.960 12.060 ( 4.702 -0.000 -3.071) 5.616 12.061 ( 8.563 -0.000 -4.169) 9.524 12.296 ( 6.235 -0.000 -6.071) 8.702 12.974 ( 0.089 -0.000 5.543) 5.544 13.186 ( 1.479 -0.000 -7.485) 7.630 14.629 ( -1.064 0.000 -0.418) 1.143 14.826 ( -2.754 0.000 4.069) 4.913 14.970 ( 5.104 -0.000 7.692) 9.231 14.997 ( -2.948 0.000 -2.567) 3.909 15.359 ( -3.955 0.000 -5.092) 6.447 15.401 ( 11.145 -0.000 -8.754) 14.172 15.595 ( 1.310 -0.000 2.619) 2.928 15.718 ( -1.001 0.000 0.827) 1.298 15.771 ( 0.886 -0.000 1.889) 2.086 15.996 ( 2.425 -0.000 -1.393) 2.797 16.108 ( -10.164 0.000 7.221) 12.468 16.324 ( 3.736 -0.000 4.101) 5.548 17.114 ( -17.168 0.000 6.294) 18.285 17.410 ( 1.164 -0.000 -5.114) 5.245 17.451 ( 3.732 -0.000 -0.317) 3.746 18.083 ( 9.096 -0.000 13.501) 16.279 25.523 ( -2.204 0.000 -2.075) 3.027 25.552 ( -1.429 0.000 -0.977) 1.731 25.577 ( -0.684 0.000 4.921) 4.969 25.674 ( 1.059 -0.000 -0.556) 1.196 25.794 ( -0.745 0.000 -2.292) 2.411 26.080 ( 1.067 -0.000 -6.580) 6.666 26.342 ( -1.612 0.000 3.155) 3.543 26.427 ( -0.084 0.000 -0.136) 0.160 26.728 ( -1.875 0.000 -1.848) 2.633 27.111 ( -2.956 0.000 -9.475) 9.926 27.769 ( -3.340 0.000 9.878) 10.427 28.083 ( 2.011 -0.000 3.611) 4.133 28.180 ( 1.483 -0.000 -0.860) 1.714 28.356 ( 6.845 -0.000 -0.398) 6.857 29.289 ( -6.572 0.000 15.002) 16.378 30.710 ( 7.416 -0.000 -14.330) 16.135 ======================= Grid point 146 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -16.842 -19.098 -8.273) 26.773 1.701 ( -28.741 -10.053 -14.525) 33.735 1.800 ( -5.049 -22.028 -7.212) 23.723 2.214 ( -13.388 2.463 5.220) 14.579 2.629 ( 2.005 -15.901 3.827) 16.478 2.760 ( -14.711 -11.660 -3.935) 19.180 2.843 ( 9.035 -17.136 1.588) 19.437 3.151 ( 3.201 -4.513 -0.777) 5.587 3.351 ( -5.837 -9.827 6.163) 12.985 3.696 ( 7.620 -1.904 -2.307) 8.186 3.740 ( -4.858 -8.351 -3.889) 10.414 4.151 ( -0.770 9.047 -8.157) 12.206 4.205 ( -3.304 1.924 -4.614) 5.992 4.259 ( 6.337 1.690 8.999) 11.135 4.337 ( 8.418 -6.442 -3.106) 11.046 4.519 ( 5.209 4.097 13.681) 15.202 4.701 ( -0.624 1.028 4.573) 4.729 4.981 ( -1.155 -6.835 3.088) 7.588 5.019 ( 6.862 3.758 1.813) 8.031 5.260 ( 1.957 2.519 -4.512) 5.526 5.480 ( 1.496 0.186 -3.322) 3.648 5.618 ( 2.215 0.147 1.576) 2.723 5.679 ( -3.821 8.680 -6.533) 11.516 5.829 ( 1.914 -0.821 -7.145) 7.442 5.999 ( -1.485 -0.382 -1.327) 2.028 6.123 ( 8.348 1.965 -0.698) 8.605 6.205 ( 2.642 -5.064 0.466) 5.731 6.468 ( -0.904 1.278 0.764) 1.742 6.513 ( -4.636 3.822 -3.885) 7.155 6.588 ( -3.598 -3.798 -0.800) 5.293 6.748 ( 0.821 -0.369 4.179) 4.275 6.922 ( -3.173 4.686 -7.929) 9.741 7.038 ( 3.003 3.366 2.285) 5.057 7.318 ( 0.515 -7.077 6.643) 9.720 7.396 ( 5.553 1.275 2.346) 6.161 7.675 ( -6.075 -0.160 2.388) 6.530 7.740 ( 0.492 8.204 -2.913) 8.720 7.831 ( -2.711 2.150 -1.753) 3.878 8.067 ( 1.954 3.789 12.899) 13.585 8.175 ( 6.162 -1.631 4.917) 8.050 8.648 ( -0.398 -3.772 0.637) 3.846 8.958 ( 6.350 0.644 4.224) 7.653 9.041 ( -1.235 -3.102 4.581) 5.668 9.110 ( 1.967 -6.404 5.434) 8.626 9.324 ( 0.381 -2.407 4.113) 4.781 9.471 ( -5.287 2.557 -5.393) 7.973 9.674 ( 0.545 3.735 -3.373) 5.062 9.845 ( -2.683 5.130 -3.722) 6.883 9.981 ( 1.208 -1.256 -6.412) 6.645 10.488 ( -7.132 -1.491 0.780) 7.328 10.557 ( 11.266 -16.729 -2.492) 20.322 10.845 ( 1.777 -10.912 -5.454) 12.328 11.094 ( -7.541 -3.674 -2.109) 8.650 11.265 ( -5.659 -1.134 1.180) 5.891 11.420 ( 2.083 -1.561 -0.251) 2.615 11.590 ( -3.725 -2.506 0.138) 4.492 11.648 ( -5.263 -1.022 -3.793) 6.568 11.749 ( 1.178 -3.467 -2.498) 4.433 11.968 ( 3.147 5.028 -4.583) 7.496 12.075 ( 5.623 2.464 5.421) 8.190 12.137 ( 4.556 -1.279 -1.464) 4.954 12.365 ( 8.430 -5.591 -8.329) 13.103 12.960 ( -1.911 3.083 5.824) 6.862 13.105 ( 5.237 8.342 -6.568) 11.839 14.571 ( -1.246 4.111 0.424) 4.317 14.848 ( -0.637 -0.749 2.599) 2.778 14.994 ( -2.092 -4.466 -0.125) 4.933 15.045 ( 2.765 0.888 3.480) 4.533 15.218 ( -2.395 8.168 -1.974) 8.737 15.482 ( 8.418 -2.525 -8.103) 11.954 15.533 ( -1.544 6.712 1.733) 7.102 15.638 ( -1.860 6.910 -0.502) 7.173 15.789 ( 3.386 1.248 -2.086) 4.168 16.048 ( 0.899 -1.949 2.121) 3.017 16.080 ( -7.698 -2.852 6.541) 10.497 16.385 ( 4.801 -0.735 3.127) 5.776 16.986 ( -15.923 2.981 4.965) 16.943 17.322 ( -3.536 6.558 -0.717) 7.485 17.494 ( 1.093 -1.687 -2.287) 3.045 18.115 ( 7.726 11.135 10.705) 17.270 25.510 ( -2.507 -1.647 -1.171) 3.220 25.554 ( -1.542 -1.735 0.235) 2.333 25.597 ( -0.867 0.146 4.988) 5.064 25.685 ( 1.201 -0.452 -0.442) 1.358 25.789 ( 0.051 -0.728 -0.893) 1.154 26.121 ( 4.837 -6.062 -5.880) 9.732 26.355 ( -0.392 -0.299 3.529) 3.564 26.431 ( 0.056 -0.623 -1.545) 1.666 26.719 ( -2.181 -1.678 2.965) 4.045 27.064 ( -0.515 -1.326 -6.736) 6.884 27.837 ( -2.863 -4.937 5.562) 7.969 28.164 ( 2.298 -6.502 2.706) 7.408 28.223 ( 2.830 -4.436 -0.285) 5.269 28.402 ( 4.445 -1.117 -3.009) 5.483 29.281 ( -6.473 3.658 14.458) 16.258 30.472 ( -0.316 23.293 -17.883) 29.368 ======================= Grid point 147 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -17.722 -26.767 -6.076) 32.672 1.669 ( -29.295 -15.227 4.745) 33.355 2.095 ( -11.338 -14.570 2.050) 18.575 2.255 ( 2.189 -25.062 -4.296) 25.522 2.862 ( -4.628 -13.948 0.637) 14.710 3.031 ( 5.996 -16.450 -2.213) 17.648 3.185 ( 6.612 -4.939 9.482) 12.571 3.351 ( 4.067 -22.254 -5.871) 23.372 3.526 ( -2.304 -13.592 -1.394) 13.856 3.764 ( 6.275 0.977 -2.982) 7.016 3.839 ( -2.541 -2.209 -0.500) 3.404 4.027 ( -6.349 -10.824 -6.177) 13.986 4.089 ( -4.829 3.554 -2.869) 6.647 4.304 ( 5.456 3.805 10.349) 12.302 4.421 ( 0.191 -0.903 -2.224) 2.408 4.546 ( 3.565 3.524 5.484) 7.430 4.763 ( 4.543 -0.707 6.251) 7.759 5.007 ( 4.642 1.218 5.822) 7.545 5.119 ( 3.632 -0.910 6.265) 7.298 5.195 ( 1.190 5.664 -4.536) 7.354 5.409 ( 4.277 2.235 -7.225) 8.688 5.513 ( 1.599 8.121 -6.746) 10.678 5.627 ( -3.579 -4.467 -6.499) 8.660 5.837 ( -0.257 1.471 4.543) 4.782 5.934 ( -2.149 1.714 -6.693) 7.235 6.155 ( 2.927 1.042 3.922) 5.003 6.256 ( 2.190 0.599 -2.598) 3.450 6.396 ( -6.615 2.389 -1.071) 7.115 6.466 ( -1.988 -1.070 1.337) 2.624 6.646 ( 1.279 -5.464 -4.277) 7.055 6.727 ( -1.184 4.336 -4.387) 6.281 6.912 ( 6.729 -6.277 3.126) 9.718 7.023 ( 1.075 1.054 -0.242) 1.524 7.327 ( -3.463 5.630 6.465) 9.246 7.421 ( -16.105 3.133 1.326) 16.460 7.568 ( 10.986 0.857 -0.448) 11.029 7.718 ( 1.029 1.240 1.225) 2.024 7.831 ( 4.097 -1.349 -1.838) 4.688 8.061 ( 0.804 4.074 8.817) 9.746 8.261 ( 8.274 -0.333 1.634) 8.441 8.725 ( 2.210 -2.690 2.279) 4.161 9.016 ( 4.263 -0.365 0.762) 4.346 9.129 ( 0.592 -5.136 3.117) 6.037 9.227 ( -2.209 -3.662 8.218) 9.265 9.303 ( -3.765 5.861 -5.098) 8.633 9.426 ( -0.399 -3.677 0.886) 3.803 9.625 ( 0.177 1.006 -1.718) 1.999 9.756 ( -5.056 -0.315 -1.580) 5.307 10.035 ( 3.535 -4.550 -3.008) 6.500 10.476 ( -7.091 -3.163 0.348) 7.773 10.723 ( 2.108 -2.170 1.798) 3.519 10.964 ( -4.226 -1.268 3.195) 5.448 11.162 ( 5.238 -4.004 -9.473) 11.542 11.278 ( -3.496 -5.279 1.881) 6.605 11.476 ( 2.681 -1.850 0.648) 3.321 11.590 ( -6.098 0.078 -7.029) 9.305 11.636 ( -2.687 -5.296 0.225) 5.943 11.762 ( 1.352 5.606 -3.426) 6.708 11.975 ( 0.639 -4.440 -2.656) 5.213 12.062 ( 4.525 1.101 4.478) 6.461 12.221 ( 5.976 -2.359 4.506) 7.847 12.477 ( 6.870 -4.763 -11.559) 14.265 12.940 ( 2.732 1.502 1.531) 3.474 12.959 ( 11.190 13.359 -0.726) 17.442 14.534 ( 1.019 -0.264 1.657) 1.963 14.827 ( -2.838 4.921 0.051) 5.681 14.951 ( -3.225 5.159 2.436) 6.553 15.086 ( 0.195 -6.993 -2.732) 7.511 15.167 ( 1.919 0.143 5.211) 5.555 15.402 ( -3.456 5.238 -1.081) 6.368 15.453 ( -1.949 6.953 -0.308) 7.228 15.584 ( 6.416 -0.310 -6.433) 9.091 15.756 ( 3.086 3.141 -4.947) 6.624 16.032 ( -7.583 1.117 7.726) 10.883 16.158 ( 1.558 -2.618 2.561) 3.980 16.438 ( 5.874 0.871 0.511) 5.960 16.833 ( -13.882 3.308 5.188) 15.184 17.158 ( -11.675 5.359 4.233) 13.525 17.505 ( 0.200 -0.914 -2.687) 2.846 17.981 ( 4.684 12.326 0.114) 13.186 25.526 ( -2.445 -2.561 0.237) 3.548 25.573 ( -2.578 -1.453 2.654) 3.975 25.612 ( -0.638 -1.272 1.131) 1.818 25.701 ( 1.174 -0.538 -0.045) 1.292 25.807 ( 0.955 -0.980 -0.190) 1.381 26.234 ( 9.170 -2.326 -5.797) 11.095 26.361 ( -1.216 0.110 0.015) 1.221 26.443 ( 0.636 -1.016 1.542) 1.953 26.794 ( -0.995 -4.577 7.014) 8.434 27.094 ( 7.692 -0.687 0.280) 7.728 27.896 ( -2.215 -2.043 1.758) 3.489 28.305 ( 2.854 -8.038 -3.921) 9.387 28.404 ( 3.642 -5.214 -0.354) 6.370 28.450 ( 3.750 -9.808 -2.810) 10.870 29.207 ( -6.235 6.911 11.723) 14.969 29.862 ( -15.708 26.943 -15.677) 34.906 ======================= Grid point 155 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -26.446 0.000 -11.694) 28.916 1.238 ( -38.658 0.000 -20.096) 43.569 1.587 ( 2.043 -0.000 -3.726) 4.249 2.034 ( -46.032 0.000 4.326) 46.235 2.500 ( 3.014 -0.000 -0.829) 3.126 2.525 ( -0.730 0.000 8.545) 8.576 2.816 ( 12.819 -0.000 2.883) 13.140 3.165 ( 7.221 -0.000 1.843) 7.453 3.289 ( -3.367 0.000 9.220) 9.816 3.608 ( -5.160 0.000 -4.008) 6.534 3.711 ( 3.269 -0.000 -1.186) 3.477 4.086 ( -9.753 0.000 -6.510) 11.726 4.274 ( 5.100 -0.000 -2.894) 5.864 4.362 ( 0.635 -0.000 7.435) 7.462 4.378 ( 11.980 -0.000 -7.097) 13.924 4.640 ( 6.124 -0.000 10.711) 12.339 4.731 ( 0.192 -0.000 4.741) 4.745 4.902 ( -1.912 0.000 6.052) 6.347 5.118 ( 13.228 -0.000 -4.418) 13.946 5.290 ( 4.384 -0.000 -5.111) 6.734 5.467 ( -0.824 0.000 -1.704) 1.892 5.626 ( 1.874 -0.000 -4.826) 5.177 5.712 ( -6.485 0.000 -7.208) 9.696 5.817 ( 2.719 -0.000 -0.881) 2.859 5.978 ( -0.570 0.000 2.433) 2.499 6.144 ( -1.720 0.000 1.367) 2.197 6.234 ( 11.969 -0.000 -1.195) 12.028 6.483 ( -9.672 0.000 3.357) 10.238 6.514 ( 2.221 -0.000 -5.388) 5.828 6.521 ( 0.480 -0.000 -1.440) 1.517 6.745 ( -3.148 0.000 3.683) 4.845 6.885 ( -5.258 0.000 -9.018) 10.439 7.134 ( 4.332 -0.000 0.514) 4.362 7.241 ( -1.243 0.000 5.654) 5.789 7.438 ( 2.654 -0.000 -0.669) 2.737 7.604 ( -12.564 0.000 -0.551) 12.576 7.830 ( 2.630 -0.000 -3.159) 4.110 7.854 ( 5.500 -0.000 0.595) 5.532 8.164 ( -5.668 0.000 14.060) 15.159 8.240 ( 10.126 -0.000 3.190) 10.617 8.602 ( 0.369 -0.000 -1.058) 1.120 9.004 ( -1.485 0.000 -0.202) 1.499 9.069 ( 1.343 -0.000 12.447) 12.519 9.070 ( 3.700 -0.000 0.975) 3.826 9.336 ( 1.105 -0.000 5.830) 5.934 9.448 ( -0.075 0.000 -5.248) 5.249 9.737 ( 2.387 -0.000 1.604) 2.876 9.882 ( 2.543 -0.000 -3.623) 4.426 10.088 ( 5.138 -0.000 -8.106) 9.597 10.210 ( 2.142 -0.000 -3.007) 3.692 10.422 ( -7.030 0.000 -0.277) 7.036 10.725 ( -2.251 0.000 -3.820) 4.434 11.010 ( -7.995 0.000 2.310) 8.322 11.208 ( -6.450 0.000 0.258) 6.455 11.424 ( -1.598 0.000 0.216) 1.613 11.470 ( -5.846 0.000 -10.247) 11.797 11.642 ( -1.332 0.000 3.668) 3.903 11.716 ( 0.720 -0.000 -0.545) 0.903 12.021 ( 2.479 -0.000 -3.947) 4.661 12.139 ( 6.735 -0.000 1.115) 6.827 12.205 ( 4.658 -0.000 4.409) 6.414 12.309 ( 5.829 -0.000 -11.087) 12.526 12.979 ( -7.328 0.000 8.351) 11.110 13.204 ( 9.448 -0.000 -4.467) 10.451 14.620 ( 0.623 -0.000 -0.459) 0.774 14.815 ( -2.522 0.000 2.486) 3.541 14.936 ( -2.786 0.000 -1.013) 2.964 15.111 ( 3.351 -0.000 3.431) 4.796 15.255 ( -3.157 0.000 0.058) 3.157 15.486 ( 9.028 -0.000 -7.060) 11.460 15.592 ( -2.120 0.000 -4.131) 4.643 15.719 ( 1.569 -0.000 0.438) 1.629 15.833 ( 6.882 -0.000 -3.040) 7.524 16.003 ( -9.248 0.000 7.537) 11.930 16.031 ( -0.975 0.000 2.093) 2.309 16.438 ( 5.050 -0.000 4.786) 6.958 16.901 ( -17.037 0.000 4.689) 17.671 17.391 ( 3.118 -0.000 -5.565) 6.379 17.461 ( -1.493 0.000 -0.733) 1.663 18.374 ( 11.060 -0.000 12.070) 16.371 25.472 ( -2.260 0.000 -0.841) 2.411 25.522 ( -1.150 0.000 -0.693) 1.343 25.651 ( 0.737 -0.000 12.981) 13.002 25.689 ( 1.230 -0.000 -0.126) 1.237 25.783 ( -0.385 0.000 2.094) 2.129 26.025 ( 0.512 -0.000 -5.796) 5.819 26.374 ( 0.254 -0.000 4.109) 4.117 26.424 ( 0.413 -0.000 -0.750) 0.856 26.691 ( -3.059 0.000 3.701) 4.802 27.000 ( -1.726 0.000 -6.065) 6.306 27.788 ( -3.681 0.000 5.228) 6.394 28.144 ( 1.596 -0.000 2.365) 2.853 28.192 ( 1.835 -0.000 -1.667) 2.479 28.407 ( 3.441 -0.000 -4.343) 5.541 29.336 ( -6.581 0.000 14.587) 16.003 30.628 ( 5.989 -0.000 -29.775) 30.371 ======================= Grid point 156 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -23.049 -26.045 -4.598) 35.082 1.132 ( -26.402 -26.909 0.515) 37.701 1.646 ( -38.548 -15.763 8.886) 42.584 1.862 ( -5.265 -15.245 -2.220) 16.280 2.689 ( 5.557 -13.902 3.716) 15.426 2.752 ( 3.781 -17.294 6.463) 18.845 3.020 ( 10.007 -14.237 -4.788) 18.049 3.245 ( 2.808 0.578 6.178) 6.811 3.333 ( -1.900 -6.269 1.350) 6.688 3.632 ( -6.137 -9.285 -1.207) 11.195 3.755 ( 1.037 -4.270 0.679) 4.446 3.990 ( -4.584 2.184 -4.557) 6.823 4.125 ( -1.991 11.531 -4.388) 12.497 4.383 ( 1.459 -0.865 0.452) 1.755 4.440 ( 4.904 -0.138 -0.615) 4.944 4.709 ( 4.033 4.049 6.307) 8.511 4.780 ( 0.084 -0.613 10.064) 10.083 5.007 ( 3.659 -8.773 -1.631) 9.644 5.189 ( 11.519 1.317 1.680) 11.715 5.285 ( 6.218 3.808 -6.450) 9.735 5.454 ( 3.060 0.472 -6.953) 7.611 5.530 ( -5.892 7.074 -3.496) 9.848 5.625 ( 6.021 2.561 -6.907) 9.514 5.870 ( 3.567 -1.521 5.675) 6.873 5.959 ( -0.497 3.262 -1.174) 3.502 6.157 ( -5.284 -1.673 1.765) 5.816 6.311 ( 9.672 0.675 0.428) 9.705 6.390 ( -6.580 3.812 -2.115) 7.893 6.451 ( -3.808 0.213 1.355) 4.047 6.550 ( 0.698 -2.382 -2.222) 3.331 6.755 ( -3.509 2.696 -4.080) 6.019 6.821 ( -3.305 -6.616 1.549) 7.557 7.074 ( 0.072 4.053 -0.646) 4.105 7.351 ( -7.516 -0.905 2.828) 8.082 7.400 ( -3.359 2.901 0.499) 4.466 7.553 ( 3.780 -5.575 -8.265) 10.662 7.814 ( 4.336 5.423 5.043) 8.581 7.890 ( 8.793 1.196 1.199) 8.954 8.140 ( -6.525 1.903 6.782) 9.602 8.320 ( 7.845 -0.237 -1.388) 7.971 8.661 ( 1.038 -5.607 0.859) 5.767 9.025 ( -0.792 -2.137 0.862) 2.437 9.078 ( 1.623 -1.844 0.860) 2.602 9.185 ( 0.058 -4.543 8.318) 9.478 9.364 ( 0.477 7.304 -6.684) 9.912 9.391 ( 0.521 -2.470 5.567) 6.112 9.671 ( -2.733 7.392 4.993) 9.329 9.783 ( -0.481 5.422 -1.098) 5.553 9.985 ( 3.831 -3.159 0.082) 4.966 10.381 ( -6.857 -1.717 0.361) 7.078 10.689 ( 2.408 -4.726 1.255) 5.450 10.911 ( 12.686 -17.389 1.799) 21.599 10.987 ( 3.150 -12.671 -9.460) 16.123 11.184 ( -4.740 -2.521 0.807) 5.429 11.359 ( -12.781 -6.212 -12.938) 19.218 11.481 ( 3.428 -1.877 4.450) 5.923 11.644 ( -0.586 0.496 4.435) 4.501 11.750 ( 0.518 -3.124 -0.878) 3.286 11.984 ( 1.837 3.764 -0.792) 4.263 12.157 ( 1.228 4.683 0.937) 4.931 12.243 ( 7.049 -3.219 4.448) 8.935 12.394 ( 9.251 -6.559 -11.951) 16.475 12.965 ( -4.244 -0.638 7.647) 8.769 13.228 ( 14.694 6.518 2.003) 16.199 14.583 ( 1.616 3.210 1.896) 4.063 14.847 ( -1.582 -1.630 0.515) 2.329 14.952 ( -2.111 -4.889 -1.158) 5.450 15.050 ( -2.294 6.980 -1.530) 7.505 15.245 ( 2.139 2.812 6.584) 7.472 15.460 ( -6.509 6.808 -5.694) 11.006 15.527 ( 2.318 1.011 -2.005) 3.227 15.630 ( 2.580 7.436 -2.403) 8.229 15.822 ( 5.747 3.684 -5.219) 8.593 15.997 ( -8.558 -1.916 7.986) 11.861 16.102 ( 2.601 -4.956 -0.272) 5.604 16.512 ( 5.931 -0.624 4.429) 7.428 16.786 ( -14.681 1.544 3.230) 15.111 17.233 ( -10.634 13.012 2.877) 17.049 17.468 ( -0.647 -1.540 -3.221) 3.629 18.247 ( -0.616 18.807 -3.372) 19.117 25.470 ( -1.801 -1.869 -0.048) 2.596 25.533 ( -1.035 -2.046 -0.254) 2.307 25.653 ( -1.930 5.173 10.734) 12.070 25.702 ( 1.038 -0.456 0.401) 1.203 25.791 ( 0.298 -1.154 0.056) 1.193 26.196 ( 10.662 -9.050 -6.126) 15.267 26.380 ( 0.487 0.937 4.678) 4.796 26.439 ( 0.555 -1.073 1.576) 1.986 26.738 ( -2.233 -2.806 7.432) 8.252 27.121 ( 15.703 -11.858 7.647) 21.111 27.824 ( -2.871 -4.651 0.752) 5.517 28.193 ( 1.658 -4.887 -1.645) 5.416 28.272 ( 2.673 -8.157 -0.244) 8.587 28.411 ( 2.445 -0.276 -4.585) 5.204 29.312 ( -6.981 4.357 11.871) 14.444 30.094 ( -21.613 32.011 -36.308) 53.010 ======================= Grid point 165 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -23.735 0.000 10.995) 26.158 0.562 ( -25.696 0.000 17.325) 30.991 1.212 ( -56.042 0.000 26.952) 62.186 1.744 ( 2.289 -0.000 0.283) 2.307 2.538 ( 2.678 -0.000 -0.840) 2.806 2.695 ( 3.477 -0.000 10.995) 11.531 2.982 ( 13.552 -0.000 -8.887) 16.206 3.266 ( -6.038 0.000 -1.696) 6.272 3.322 ( 3.711 -0.000 8.708) 9.465 3.484 ( -7.206 0.000 -2.865) 7.755 3.715 ( -2.651 0.000 3.718) 4.566 3.974 ( 0.510 -0.000 0.332) 0.608 4.274 ( 1.974 -0.000 -6.562) 6.853 4.367 ( -3.015 0.000 -1.985) 3.609 4.402 ( 1.892 -0.000 -7.733) 7.961 4.748 ( 2.647 -0.000 -2.894) 3.922 4.856 ( 2.014 -0.000 14.022) 14.166 4.949 ( -0.068 0.000 2.829) 2.830 5.282 ( 8.524 -0.000 -3.070) 9.060 5.295 ( 6.192 -0.000 -12.018) 13.520 5.440 ( 3.328 -0.000 -1.777) 3.773 5.589 ( -2.407 0.000 -1.826) 3.021 5.692 ( 10.741 -0.000 -2.122) 10.949 5.870 ( 0.803 -0.000 5.975) 6.028 5.992 ( 1.399 -0.000 1.279) 1.895 6.093 ( -4.711 0.000 2.161) 5.183 6.366 ( -2.764 0.000 -6.357) 6.932 6.374 ( -10.959 0.000 5.048) 12.065 6.444 ( 6.439 -0.000 4.009) 7.585 6.581 ( 3.375 -0.000 2.079) 3.964 6.680 ( -10.025 0.000 3.177) 10.516 6.744 ( -3.284 0.000 -2.665) 4.229 7.173 ( 3.430 -0.000 3.160) 4.664 7.297 ( 4.162 -0.000 1.588) 4.455 7.382 ( -10.635 0.000 -2.256) 10.871 7.438 ( 1.065 -0.000 -5.711) 5.810 7.926 ( 7.055 -0.000 -0.992) 7.124 7.970 ( 6.215 -0.000 2.231) 6.603 8.084 ( -14.072 0.000 1.496) 14.151 8.356 ( 5.392 -0.000 -5.253) 7.528 8.617 ( 1.510 -0.000 0.423) 1.568 9.004 ( 0.430 -0.000 2.539) 2.575 9.060 ( -1.220 0.000 -1.860) 2.225 9.176 ( -0.004 0.000 2.415) 2.415 9.385 ( -1.823 0.000 4.018) 4.412 9.463 ( 3.614 -0.000 -2.722) 4.525 9.849 ( 4.780 -0.000 2.926) 5.604 9.927 ( 6.681 -0.000 -2.325) 7.074 10.117 ( 3.979 -0.000 -0.902) 4.080 10.325 ( -5.153 0.000 0.638) 5.192 10.401 ( 19.765 -0.000 15.930) 25.385 10.665 ( -0.265 0.000 -1.009) 1.044 10.945 ( -5.090 0.000 5.074) 7.186 11.137 ( -3.680 0.000 2.166) 4.270 11.171 ( -6.287 0.000 4.107) 7.509 11.517 ( 3.077 -0.000 8.562) 9.098 11.666 ( -1.365 0.000 7.587) 7.709 11.729 ( 0.519 -0.000 0.669) 0.847 12.059 ( 5.084 -0.000 5.877) 7.771 12.210 ( 0.927 -0.000 -6.912) 6.974 12.257 ( -0.821 0.000 1.009) 1.301 12.335 ( 12.214 -0.000 -3.833) 12.802 12.942 ( -11.029 0.000 14.522) 18.235 13.443 ( 23.432 -0.000 8.965) 25.089 14.645 ( 2.442 -0.000 1.176) 2.710 14.802 ( -0.149 0.000 -0.531) 0.551 14.893 ( -2.842 0.000 0.666) 2.919 15.082 ( -2.382 0.000 -2.219) 3.255 15.321 ( 0.593 -0.000 4.632) 4.670 15.410 ( -12.235 0.000 -10.234) 15.951 15.525 ( 3.589 -0.000 -4.895) 6.070 15.761 ( 2.215 -0.000 0.058) 2.216 15.930 ( 13.026 -0.000 -7.846) 15.206 15.970 ( -1.419 0.000 9.223) 9.331 16.056 ( 0.176 -0.000 2.912) 2.918 16.532 ( -4.159 0.000 7.046) 8.182 16.717 ( -7.047 0.000 1.541) 7.214 17.398 ( 4.240 -0.000 -4.714) 6.340 17.406 ( -3.736 0.000 -1.002) 3.868 18.365 ( -19.592 0.000 -45.848) 49.858 25.443 ( -1.107 0.000 0.579) 1.250 25.505 ( -0.415 0.000 -0.300) 0.512 25.707 ( 0.777 -0.000 0.638) 1.006 25.774 ( 1.167 -0.000 0.484) 1.264 25.951 ( 7.626 -0.000 14.002) 15.944 26.001 ( 1.854 -0.000 -2.384) 3.020 26.403 ( -0.835 0.000 1.690) 1.885 26.436 ( 0.421 -0.000 0.492) 0.647 26.948 ( 0.620 -0.000 -2.104) 2.194 27.003 ( 36.764 -0.000 65.294) 74.933 27.760 ( -3.536 0.000 0.630) 3.592 28.169 ( 0.266 -0.000 -0.266) 0.376 28.202 ( 1.826 -0.000 -2.276) 2.918 28.410 ( 3.058 -0.000 -3.825) 4.897 29.343 ( -8.346 0.000 9.345) 12.529 29.953 ( -45.288 0.000 -84.086) 95.506 ======================= Grid point 166 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 9.725 -0.000 31.504) 32.971 1.448 ( -21.865 0.000 33.784) 40.242 1.959 ( -2.157 0.000 8.634) 8.900 2.293 ( 20.046 -0.000 42.604) 47.084 2.414 ( 3.157 -0.000 -11.412) 11.841 2.707 ( 0.114 -0.000 -10.995) 10.995 2.814 ( 10.214 -0.000 -18.899) 21.483 3.075 ( -10.553 0.000 16.108) 19.257 3.320 ( 3.769 -0.000 -0.058) 3.770 3.552 ( -10.904 0.000 9.213) 14.275 3.815 ( -11.485 0.000 -20.594) 23.580 3.850 ( -0.316 0.000 2.953) 2.969 4.152 ( 7.556 -0.000 1.367) 7.679 4.351 ( -2.812 0.000 10.212) 10.592 4.352 ( 1.401 -0.000 -2.700) 3.042 4.521 ( 4.190 -0.000 -6.408) 7.656 4.730 ( -6.106 0.000 -7.832) 9.931 4.965 ( 6.630 -0.000 -15.087) 16.479 5.138 ( -4.346 0.000 -4.507) 6.261 5.319 ( 4.111 -0.000 4.068) 5.784 5.578 ( -3.451 0.000 -2.600) 4.321 5.674 ( 6.382 -0.000 5.351) 8.328 5.735 ( 7.436 -0.000 6.642) 9.970 6.056 ( -3.830 0.000 -0.084) 3.831 6.151 ( 9.545 -0.000 2.230) 9.802 6.174 ( -3.342 0.000 -2.010) 3.900 6.276 ( 4.135 -0.000 -4.178) 5.878 6.346 ( -5.175 0.000 6.850) 8.585 6.353 ( -5.186 0.000 -7.792) 9.359 6.560 ( 4.337 -0.000 -2.742) 5.131 6.663 ( -10.204 0.000 12.943) 16.481 6.858 ( 11.795 -0.000 0.139) 11.796 7.036 ( -6.833 0.000 -12.442) 14.195 7.130 ( -1.807 0.000 -7.791) 7.998 7.429 ( -0.507 0.000 3.474) 3.511 7.630 ( 8.240 -0.000 8.836) 12.082 7.671 ( -4.118 0.000 -9.089) 9.979 7.784 ( -10.135 0.000 -1.304) 10.218 8.081 ( 1.529 -0.000 1.649) 2.248 8.247 ( 0.715 -0.000 -6.570) 6.609 8.690 ( 0.748 -0.000 2.399) 2.513 8.889 ( 0.790 -0.000 -7.266) 7.309 9.035 ( -3.850 0.000 0.495) 3.881 9.161 ( -1.175 0.000 -0.202) 1.193 9.412 ( 2.209 -0.000 -0.017) 2.209 9.458 ( 0.680 -0.000 0.791) 1.043 9.925 ( -3.864 0.000 1.839) 4.280 9.980 ( 4.592 -0.000 -1.147) 4.733 10.269 ( 6.985 -0.000 4.185) 8.142 10.337 ( -7.900 0.000 0.400) 7.910 10.384 ( -0.008 0.000 5.277) 5.277 10.583 ( -0.843 0.000 -4.276) 4.358 11.055 ( -6.921 0.000 4.872) 8.464 11.275 ( -0.432 0.000 9.198) 9.208 11.290 ( 12.758 -0.000 -8.172) 15.151 11.564 ( -0.054 0.000 -3.820) 3.820 11.797 ( 0.505 -0.000 4.291) 4.321 11.907 ( 3.119 -0.000 -0.119) 3.121 11.980 ( 3.359 -0.000 -4.855) 5.904 12.073 ( -5.280 0.000 -7.156) 8.893 12.575 ( 9.089 -0.000 3.015) 9.576 12.607 ( 3.707 -0.000 1.914) 4.172 13.298 ( -10.370 0.000 18.636) 21.327 13.844 ( 2.640 -0.000 -9.552) 9.911 14.762 ( 0.679 -0.000 -2.416) 2.509 14.766 ( 7.174 -0.000 -3.302) 7.898 14.872 ( -5.571 0.000 0.732) 5.619 14.878 ( -0.314 0.000 0.902) 0.955 15.209 ( 4.269 -0.000 3.702) 5.651 15.387 ( 0.331 -0.000 -6.291) 6.299 15.494 ( -11.277 0.000 7.875) 13.754 15.753 ( 2.586 -0.000 -1.701) 3.095 15.861 ( -4.563 0.000 -5.081) 6.829 15.876 ( 10.119 -0.000 -8.879) 13.462 16.464 ( 23.791 -0.000 2.895) 23.967 16.499 ( -14.384 0.000 2.531) 14.605 16.815 ( 6.327 -0.000 4.149) 7.566 16.840 ( -38.114 0.000 3.677) 38.291 17.328 ( -0.317 0.000 -1.641) 1.671 17.364 ( 6.525 -0.000 -3.505) 7.407 25.486 ( 0.157 -0.000 1.739) 1.746 25.506 ( 0.609 -0.000 0.147) 0.626 25.714 ( -3.365 0.000 -0.877) 3.478 25.730 ( 0.398 -0.000 -0.246) 0.468 26.011 ( -2.065 0.000 4.019) 4.518 26.073 ( 5.136 -0.000 1.606) 5.382 26.336 ( -3.855 0.000 -1.500) 4.136 26.381 ( -0.596 0.000 -2.565) 2.633 27.066 ( 6.798 -0.000 6.121) 9.148 27.426 ( -10.804 0.000 -11.245) 15.594 28.100 ( -7.561 0.000 -0.953) 7.621 28.148 ( 2.750 -0.000 -2.900) 3.997 28.216 ( -29.560 0.000 6.860) 30.346 28.411 ( 9.998 -0.000 -2.888) 10.407 29.242 ( 58.655 -0.000 2.912) 58.727 29.272 ( -22.820 0.000 1.129) 22.848 ======================= Grid point 167 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -8.906 -7.234 29.546) 31.696 1.717 ( 8.008 -17.633 25.497) 32.018 2.132 ( -5.046 -17.781 -2.414) 18.641 2.451 ( -2.036 -8.734 -7.933) 11.974 2.622 ( 11.822 -7.914 -1.169) 14.274 2.809 ( 5.818 -8.817 26.919) 28.918 2.878 ( 11.197 -7.896 -19.545) 23.869 3.267 ( 3.966 -17.647 18.439) 25.829 3.449 ( 4.823 -8.735 -0.324) 9.983 3.527 ( -14.635 -5.181 0.574) 15.536 3.665 ( -7.788 -2.775 -9.063) 12.267 3.925 ( 2.116 -6.851 -1.297) 7.287 4.171 ( 4.020 3.307 4.244) 6.716 4.294 ( -5.781 2.890 -6.756) 9.349 4.366 ( 0.194 0.833 7.428) 7.477 4.477 ( -0.000 5.657 -1.891) 5.965 4.680 ( -0.621 -1.029 -4.531) 4.688 4.904 ( 1.861 2.998 -15.407) 15.806 5.098 ( -4.388 -1.702 -1.589) 4.968 5.376 ( 4.368 0.660 4.696) 6.448 5.476 ( -1.583 5.501 -5.368) 7.848 5.631 ( 1.959 9.224 -2.266) 9.698 5.876 ( 4.850 -4.163 10.674) 12.442 6.003 ( -11.431 -4.015 -6.891) 13.938 6.154 ( 3.005 1.247 0.726) 3.333 6.200 ( 6.126 2.838 0.220) 6.755 6.256 ( -4.219 0.795 -4.628) 6.312 6.334 ( -3.909 -0.616 4.893) 6.293 6.375 ( 4.254 -1.580 -2.801) 5.333 6.534 ( 3.609 2.240 -1.885) 4.647 6.688 ( -5.620 -2.425 13.033) 14.399 6.882 ( 0.723 2.989 -5.969) 6.715 6.954 ( 5.570 2.561 -6.428) 8.883 7.119 ( 4.921 -2.544 -3.033) 6.316 7.431 ( -1.404 3.213 5.478) 6.504 7.475 ( -12.110 2.186 -5.422) 13.447 7.672 ( 3.673 8.417 0.658) 9.207 7.753 ( 2.545 3.583 -3.815) 5.820 8.071 ( -3.569 -2.244 4.532) 6.190 8.235 ( -2.462 -3.053 -5.245) 6.549 8.727 ( -0.792 -2.296 2.206) 3.281 8.875 ( 1.400 -1.627 -6.040) 6.410 9.070 ( -2.930 -4.962 3.354) 6.668 9.196 ( -1.211 -5.724 -2.151) 6.233 9.419 ( 1.252 2.599 2.424) 3.768 9.500 ( -0.052 -3.878 -1.315) 4.095 9.875 ( -5.595 0.770 1.382) 5.814 9.916 ( 1.502 7.813 2.636) 8.381 10.222 ( -5.205 2.281 5.751) 8.085 10.429 ( 0.767 -2.315 5.603) 6.111 10.493 ( 10.282 -8.434 -4.437) 14.019 10.589 ( 0.195 -3.216 -4.831) 5.807 11.036 ( -8.105 -2.481 1.274) 8.572 11.313 ( 5.784 0.361 0.544) 5.821 11.355 ( 3.525 -1.553 1.949) 4.317 11.562 ( 0.742 -2.183 -4.597) 5.143 11.811 ( -0.353 1.303 4.499) 4.697 11.899 ( 3.258 3.093 -0.211) 4.497 11.949 ( -1.755 4.332 -4.287) 6.342 12.012 ( 1.467 -0.566 -5.424) 5.647 12.511 ( 0.327 7.883 5.039) 9.362 12.668 ( 3.867 1.223 -6.043) 7.278 13.282 ( -13.007 1.446 16.053) 20.712 13.727 ( -10.491 3.381 -5.767) 12.440 14.749 ( 1.961 0.635 0.308) 2.084 14.781 ( -1.377 -1.664 -1.007) 2.383 14.887 ( 3.407 2.343 2.004) 4.595 14.930 ( 2.025 -2.264 -0.269) 3.049 15.192 ( 2.515 5.006 -1.419) 5.779 15.269 ( 2.187 6.456 -3.436) 7.633 15.484 ( -6.807 -1.962 0.942) 7.147 15.630 ( 0.667 9.676 0.097) 9.700 15.802 ( -2.713 -1.695 1.292) 3.450 16.018 ( 5.824 -6.686 -8.785) 12.482 16.401 ( -11.498 1.426 2.218) 11.797 16.585 ( 18.134 8.029 0.944) 19.855 16.636 ( -20.736 -1.679 9.824) 23.007 16.911 ( 3.187 -3.634 5.894) 7.622 17.322 ( 5.876 -0.230 -3.162) 6.676 17.465 ( 6.170 -4.549 -7.009) 10.387 25.501 ( -0.105 -0.888 1.168) 1.471 25.527 ( 0.996 -1.586 -0.047) 1.873 25.703 ( -3.129 -1.744 0.720) 3.654 25.742 ( 0.101 -1.146 0.057) 1.152 25.985 ( -0.906 3.328 6.045) 6.960 26.118 ( 4.256 -0.237 -1.169) 4.420 26.322 ( -2.711 -1.746 -1.272) 3.466 26.376 ( -0.457 -0.871 -3.537) 3.671 27.113 ( 6.929 4.429 11.009) 13.742 27.274 ( -10.801 1.832 -8.829) 14.070 28.025 ( -12.873 -0.235 4.846) 13.757 28.127 ( -2.941 -6.503 -2.759) 7.652 28.285 ( -7.237 -11.675 0.944) 13.768 28.505 ( 8.183 -3.273 0.859) 8.855 29.053 ( -20.485 3.907 -4.359) 21.305 29.540 ( 44.418 11.439 -3.826) 46.026 ======================= Grid point 168 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 1.205 -11.370 21.533) 24.380 2.167 ( 6.258 -14.879 16.475) 23.064 2.308 ( -7.123 -15.035 -9.395) 19.107 2.637 ( 1.991 -15.197 -1.336) 15.385 2.868 ( 6.668 -10.361 -2.849) 12.646 3.045 ( 13.239 -12.800 -13.350) 22.745 3.149 ( 1.459 -12.792 18.891) 22.861 3.446 ( -6.503 -3.621 -14.844) 16.605 3.625 ( -8.583 -10.932 3.067) 14.233 3.704 ( -6.142 -9.307 4.112) 11.884 3.771 ( 3.562 -18.020 10.825) 21.321 4.053 ( 0.838 -4.764 -6.652) 8.225 4.161 ( 2.097 3.429 0.300) 4.030 4.216 ( 2.601 -1.434 1.174) 3.194 4.345 ( -2.757 4.791 -0.450) 5.546 4.430 ( 4.113 -3.552 5.732) 7.899 4.659 ( -1.270 0.167 -4.293) 4.480 4.790 ( 1.469 3.013 -5.812) 6.709 5.104 ( -2.830 -0.870 5.220) 6.001 5.306 ( -0.513 9.887 -5.263) 11.212 5.374 ( 3.043 5.409 6.329) 8.864 5.555 ( -0.313 -4.410 -12.135) 12.916 5.894 ( -5.429 4.182 2.765) 7.390 5.961 ( -2.087 2.551 -2.368) 4.058 6.154 ( 0.326 1.310 -1.442) 1.975 6.171 ( -2.198 2.335 -3.578) 4.805 6.216 ( 1.418 -1.876 -0.328) 2.375 6.327 ( 2.981 4.269 6.964) 8.695 6.435 ( 1.634 -4.966 1.102) 5.343 6.541 ( 2.259 -0.713 -3.645) 4.347 6.775 ( -7.389 -4.451 8.284) 11.960 6.815 ( -1.107 -2.184 -6.401) 6.854 6.916 ( 7.874 5.454 -1.908) 9.767 7.187 ( 2.546 3.588 5.775) 7.260 7.270 ( -9.656 0.941 -10.860) 14.562 7.456 ( -2.273 1.401 1.758) 3.196 7.570 ( 6.571 0.109 -3.756) 7.570 7.678 ( 6.340 7.035 3.888) 10.238 8.138 ( -3.869 -3.867 3.084) 6.280 8.242 ( -3.124 -2.093 -2.459) 4.492 8.763 ( -3.042 -2.849 1.219) 4.342 8.914 ( 2.390 -3.661 -3.092) 5.355 9.116 ( -7.191 -1.592 3.061) 7.976 9.299 ( -0.065 -7.534 -0.122) 7.535 9.348 ( -1.756 6.211 3.832) 7.506 9.531 ( -0.800 -1.457 -5.280) 5.535 9.807 ( -3.366 5.857 4.680) 8.218 9.884 ( 0.517 -2.270 2.626) 3.509 10.186 ( -4.876 -0.062 2.487) 5.474 10.534 ( 1.915 -5.495 6.605) 8.803 10.619 ( 1.880 -2.837 -5.685) 6.626 10.689 ( 13.974 -5.800 -3.718) 15.580 11.010 ( -9.265 -2.926 -3.270) 10.252 11.360 ( 6.277 -0.147 -2.848) 6.895 11.412 ( 0.948 -1.909 5.010) 5.444 11.605 ( 2.154 -4.109 -4.786) 6.665 11.772 ( -3.801 3.940 -0.651) 5.513 11.810 ( -2.388 5.257 0.613) 5.806 11.896 ( 5.188 2.972 3.242) 6.801 12.019 ( 3.253 -0.181 -3.483) 4.769 12.399 ( -0.479 8.491 3.919) 9.365 12.559 ( 2.431 8.915 -9.157) 13.009 13.193 ( -15.402 3.748 9.726) 18.598 13.544 ( -10.173 6.477 -3.820) 12.650 14.764 ( -0.251 1.347 2.732) 3.056 14.803 ( -7.470 -2.049 4.479) 8.948 14.829 ( 7.200 5.265 -0.092) 8.920 14.945 ( -2.966 -2.390 2.324) 4.463 15.145 ( 3.570 3.244 -6.330) 7.958 15.251 ( 9.156 -0.525 -2.566) 9.523 15.456 ( -1.499 0.190 -3.476) 3.790 15.533 ( 1.634 4.392 2.555) 5.337 15.802 ( -6.457 -1.019 2.389) 6.960 16.077 ( 1.457 -0.663 -6.069) 6.277 16.297 ( -9.440 2.149 3.471) 10.285 16.537 ( 5.917 6.507 0.826) 8.833 16.639 ( -5.781 -3.249 9.640) 11.701 17.038 ( 5.917 -2.873 6.044) 8.933 17.366 ( 5.698 -1.165 -4.667) 7.457 17.511 ( 5.923 -0.129 -7.841) 9.828 25.527 ( -0.145 -1.851 1.010) 2.113 25.567 ( 1.251 -2.214 -0.678) 2.632 25.722 ( -2.495 -2.056 1.903) 3.751 25.764 ( -0.581 -1.240 0.648) 1.515 25.946 ( -1.551 3.676 4.645) 6.123 26.135 ( 4.599 0.789 -4.326) 6.363 26.333 ( -1.312 -1.607 0.041) 2.075 26.373 ( -0.054 -1.557 -2.062) 2.584 27.091 ( -5.601 3.832 1.014) 6.862 27.187 ( 4.846 3.773 5.632) 8.333 27.981 ( -8.471 -1.289 5.141) 9.993 28.201 ( -3.264 -6.610 -7.414) 10.455 28.438 ( -8.238 -13.449 -1.019) 15.804 28.611 ( -6.952 -4.167 2.164) 8.390 28.875 ( -1.099 -0.142 -4.186) 4.330 29.560 ( 31.126 17.759 -3.151) 35.974 ======================= Grid point 169 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 6.943 -9.828 14.489) 18.834 2.410 ( -6.412 -8.594 12.059) 16.137 2.516 ( 4.315 -12.111 -3.748) 13.392 2.858 ( -4.328 -10.369 -4.137) 11.973 3.019 ( 14.002 -6.986 -12.135) 19.801 3.315 ( 4.305 -10.178 -2.198) 11.267 3.369 ( 1.062 -4.184 6.616) 7.900 3.455 ( -0.006 -8.251 -4.271) 9.291 3.665 ( -7.916 -1.478 4.888) 9.420 3.836 ( -7.657 -11.167 -6.552) 15.042 3.911 ( -5.237 3.476 -5.921) 8.635 4.005 ( -5.768 -1.398 3.779) 7.036 4.092 ( -0.488 5.881 -1.929) 6.209 4.259 ( -0.182 0.741 1.667) 1.834 4.293 ( -3.779 -2.007 3.894) 5.785 4.618 ( -0.197 0.843 -5.583) 5.650 4.699 ( 8.177 -14.116 1.027) 16.345 4.870 ( 13.624 -3.735 4.764) 14.908 5.094 ( 1.205 5.359 8.240) 9.902 5.166 ( 1.577 1.952 -7.450) 7.862 5.380 ( -1.202 -0.075 9.465) 9.541 5.602 ( 0.256 -5.941 -6.380) 8.722 5.770 ( -4.190 7.787 5.173) 10.245 5.858 ( -0.970 4.070 -4.516) 6.157 6.110 ( 2.323 0.931 0.161) 2.507 6.163 ( 0.304 -3.830 -8.911) 9.704 6.270 ( 1.881 -1.862 0.266) 2.660 6.316 ( -1.066 1.131 6.311) 6.500 6.440 ( -3.371 2.851 -2.595) 5.121 6.604 ( 1.059 -4.468 -5.563) 7.213 6.768 ( -3.144 6.302 3.361) 7.803 6.780 ( -2.302 -3.789 0.279) 4.442 7.002 ( 4.982 -7.017 0.861) 8.649 7.089 ( -9.143 1.511 -8.803) 12.781 7.203 ( 0.906 -0.443 3.488) 3.631 7.412 ( -3.551 0.537 -0.964) 3.719 7.672 ( 3.750 1.352 7.387) 8.394 7.740 ( 13.852 -6.228 1.540) 15.265 8.136 ( -1.828 1.407 0.589) 2.381 8.215 ( -2.679 2.349 -0.406) 3.586 8.781 ( -5.181 -1.607 2.032) 5.793 8.954 ( -0.996 0.539 -2.678) 2.908 9.070 ( -5.964 -2.191 1.510) 6.531 9.258 ( -1.513 5.596 0.538) 5.821 9.397 ( -1.780 -2.729 -1.242) 3.487 9.521 ( 2.286 -1.302 0.622) 2.704 9.727 ( -8.409 0.552 3.777) 9.235 9.950 ( 3.028 -2.355 1.382) 4.077 10.158 ( -2.908 1.224 -0.183) 3.161 10.636 ( 0.058 -1.625 -3.322) 3.699 10.694 ( 2.814 -6.156 7.126) 9.828 10.864 ( 16.179 -1.656 -2.119) 16.401 10.975 ( -7.676 -5.010 -7.141) 11.620 11.345 ( -1.310 2.081 -3.035) 3.906 11.498 ( 4.694 -0.974 3.594) 5.991 11.615 ( -0.367 3.057 -5.614) 6.402 11.700 ( -3.490 -4.646 -0.218) 5.816 11.779 ( -0.509 -0.500 4.809) 4.862 11.910 ( 6.413 2.871 4.009) 8.090 12.039 ( 2.845 -1.077 -2.759) 4.107 12.226 ( 1.443 12.444 -3.244) 12.941 12.410 ( 4.449 7.165 -3.837) 9.266 13.020 ( -15.394 6.335 3.183) 16.949 13.319 ( -8.866 9.318 -2.890) 13.182 14.709 ( -1.411 1.479 -0.395) 2.082 14.803 ( -1.120 -0.368 3.645) 3.831 14.877 ( -0.183 -3.091 2.537) 4.003 15.004 ( -0.992 -1.449 -1.364) 2.223 15.084 ( 2.473 0.242 1.163) 2.743 15.313 ( 8.269 1.936 -0.622) 8.515 15.432 ( 1.835 0.426 -5.252) 5.580 15.514 ( 1.801 1.125 -0.057) 2.124 15.768 ( -7.010 -0.523 1.057) 7.108 16.020 ( -2.397 3.560 -1.611) 4.584 16.212 ( -7.988 2.355 6.762) 10.727 16.506 ( 3.450 2.189 -1.435) 4.330 16.728 ( 0.322 -4.715 7.637) 8.981 17.132 ( 3.782 -0.295 5.559) 6.730 17.385 ( 3.781 -0.104 -7.604) 8.493 17.514 ( 4.253 0.140 -4.080) 5.895 25.571 ( 0.263 -2.634 1.157) 2.889 25.607 ( 0.644 -1.952 -0.818) 2.213 25.745 ( -1.607 -1.454 1.978) 2.934 25.772 ( -1.292 -0.108 0.722) 1.484 25.875 ( -2.545 4.459 0.650) 5.175 26.127 ( 5.480 1.624 -5.024) 7.609 26.356 ( -0.749 -1.589 2.017) 2.675 26.411 ( 0.613 -2.335 1.510) 2.847 26.996 ( -4.172 1.015 -5.953) 7.340 27.181 ( 5.405 7.076 11.210) 14.316 27.971 ( -8.878 -2.089 3.598) 9.804 28.220 ( -4.693 -5.130 -8.133) 10.700 28.507 ( -8.494 -2.224 -3.356) 9.400 28.640 ( -7.741 -12.429 -3.169) 14.981 28.993 ( 7.631 -5.439 4.129) 10.240 29.440 ( 21.201 18.662 -1.335) 28.276 ======================= Grid point 170 (75/140) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 1.729 -1.770 9.004) 9.338 2.482 ( -6.095 0.206 8.223) 10.238 2.700 ( 2.304 -5.079 6.819) 8.809 2.895 ( -1.520 -2.710 -2.758) 4.154 3.153 ( 9.084 0.641 -12.061) 15.113 3.301 ( -6.510 0.103 -8.350) 10.588 3.481 ( 0.417 0.941 -7.073) 7.148 3.579 ( 3.364 -7.623 4.311) 9.381 3.653 ( -5.575 -1.480 1.417) 5.940 3.761 ( 1.204 0.137 -6.564) 6.675 3.906 ( -0.468 5.249 3.348) 6.244 3.967 ( -1.218 -4.565 3.346) 5.789 4.074 ( -0.924 2.222 0.643) 2.491 4.158 ( -1.686 1.018 -4.328) 4.755 4.403 ( -5.696 -8.689 1.182) 10.457 4.597 ( 2.101 0.254 -0.452) 2.164 4.908 ( 3.894 -3.864 0.310) 5.495 4.959 ( 1.706 -0.456 1.677) 2.435 5.089 ( 2.410 3.142 3.142) 5.055 5.227 ( 3.853 -6.588 4.993) 9.120 5.373 ( 4.682 5.911 1.331) 7.657 5.591 ( -3.993 11.098 1.654) 11.909 5.677 ( 2.163 -2.459 4.435) 5.513 5.842 ( -0.349 -2.274 -1.318) 2.651 6.142 ( 0.509 -2.543 -5.253) 5.859 6.182 ( -4.764 8.054 -3.314) 9.927 6.220 ( 3.682 -3.387 -4.354) 6.632 6.347 ( -2.170 2.219 -2.091) 3.742 6.429 ( 2.435 -5.918 10.252) 12.085 6.573 ( -3.000 -0.047 -9.937) 10.380 6.659 ( -3.757 4.039 2.633) 6.112 6.888 ( -2.312 -7.792 -2.859) 8.616 7.017 ( -1.657 -2.500 0.659) 3.070 7.151 ( 2.512 -7.252 -2.724) 8.144 7.269 ( -0.958 -3.629 2.099) 4.301 7.379 ( 1.193 1.362 -1.174) 2.158 7.723 ( 3.819 0.669 8.624) 9.455 7.935 ( 5.719 -4.898 2.372) 7.895 8.076 ( -2.281 6.146 0.476) 6.573 8.168 ( 2.477 -0.986 0.191) 2.673 8.741 ( -3.083 2.933 4.309) 6.056 8.925 ( -1.350 -2.596 -5.716) 6.421 9.103 ( -7.207 -3.040 -0.020) 7.822 9.144 ( 3.636 4.275 -3.833) 6.796 9.374 ( -3.081 0.256 -2.201) 3.795 9.573 ( -4.739 0.530 10.275) 11.327 9.711 ( -4.310 -3.683 0.051) 5.670 10.020 ( 5.155 -1.637 -0.052) 5.409 10.084 ( -2.138 4.955 -0.476) 5.418 10.630 ( -0.773 0.533 -2.043) 2.248 10.824 ( 1.070 -2.170 7.496) 7.877 10.917 ( 0.512 -1.293 -3.432) 3.703 11.029 ( 8.366 -2.590 -9.026) 12.577 11.297 ( -2.192 -0.661 1.961) 3.014 11.450 ( -2.993 3.388 -0.751) 4.583 11.621 ( 0.177 -0.344 1.494) 1.543 11.719 ( -2.230 0.525 -4.158) 4.747 11.864 ( -0.578 -2.521 6.195) 6.714 11.954 ( 5.954 -3.324 0.746) 6.860 12.043 ( 0.746 -1.566 -4.758) 5.064 12.099 ( 9.100 6.713 2.677) 11.621 12.340 ( 6.071 2.615 -5.693) 8.724 12.799 ( -12.375 6.987 -1.026) 14.249 13.101 ( -6.226 7.882 -0.075) 10.045 14.703 ( -0.054 -1.077 -2.161) 2.415 14.836 ( -1.278 -2.860 3.740) 4.878 14.858 ( 0.939 6.884 -0.722) 6.985 15.000 ( -0.841 -3.719 0.618) 3.862 15.211 ( 2.225 -7.019 5.082) 8.947 15.308 ( 4.586 3.525 -0.895) 5.853 15.408 ( 1.766 1.509 -4.564) 5.121 15.503 ( 1.118 1.427 -0.916) 2.031 15.702 ( -5.362 2.809 -3.410) 6.947 15.961 ( -3.068 -0.219 3.435) 4.611 16.192 ( -6.327 -2.031 8.403) 10.713 16.478 ( 2.666 2.980 -2.954) 4.971 16.844 ( 0.869 -3.641 5.387) 6.560 17.163 ( -0.383 0.712 4.703) 4.772 17.375 ( 2.877 -1.238 -8.413) 8.977 17.538 ( 3.120 -1.211 -2.348) 4.088 25.618 ( -0.802 -1.328 1.454) 2.126 25.632 ( 0.311 -1.775 -0.201) 1.813 25.754 ( -1.504 1.322 1.051) 2.261 25.762 ( -0.610 0.524 -1.347) 1.569 25.783 ( -1.775 2.448 0.317) 3.040 26.126 ( 5.447 1.132 -3.614) 6.634 26.390 ( 0.628 -0.711 3.994) 4.105 26.461 ( -0.103 -2.011 2.660) 3.336 26.922 ( -2.070 0.845 -10.213) 10.455 27.174 ( 4.690 4.566 13.200) 14.734 27.933 ( -8.911 -1.510 -1.952) 9.247 28.246 ( -2.955 -4.713 -3.711) 6.687 28.465 ( -2.180 -0.337 -4.337) 4.865 28.783 ( -5.624 -11.053 -1.476) 12.489 29.098 ( 5.120 3.050 0.785) 6.011 29.315 ( 10.555 8.558 2.710) 13.856 ======================= Grid point 171 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -10.341 6.918 8.865) 15.277 2.389 ( -6.955 11.262 10.249) 16.740 2.736 ( 2.657 7.789 16.233) 18.200 2.927 ( 3.352 4.828 1.476) 6.060 3.013 ( 0.612 7.618 -15.016) 16.849 3.167 ( -8.274 2.671 -11.568) 14.471 3.384 ( 1.439 8.010 -1.843) 8.344 3.621 ( 0.397 1.990 2.688) 3.367 3.718 ( 2.648 4.690 -8.037) 9.675 3.741 ( -1.527 -11.075 -4.091) 11.905 3.969 ( 3.593 6.251 6.679) 9.829 3.998 ( 4.545 -3.577 -3.618) 6.822 4.042 ( 6.505 -2.327 1.691) 7.112 4.216 ( 1.580 -7.955 -1.464) 8.242 4.453 ( -2.119 -0.310 -0.036) 2.142 4.650 ( 1.568 -3.158 3.681) 5.097 4.925 ( -4.944 0.525 2.006) 5.361 4.985 ( -4.106 -3.469 -5.280) 7.535 5.073 ( -0.012 2.152 1.241) 2.484 5.239 ( -4.089 12.285 1.346) 13.018 5.335 ( 5.233 0.699 10.930) 12.138 5.500 ( 3.650 0.639 5.882) 6.952 5.720 ( 4.516 4.247 -5.917) 8.570 5.827 ( -1.292 3.005 -0.446) 3.301 5.968 ( -6.678 4.071 3.921) 8.749 6.141 ( -3.770 -3.107 -6.431) 8.076 6.284 ( -1.976 2.295 2.928) 4.213 6.324 ( 8.772 -1.435 -1.536) 9.020 6.476 ( -1.816 1.532 1.079) 2.609 6.599 ( 4.528 -2.364 -4.266) 6.655 6.618 ( 1.027 0.160 -0.958) 1.413 6.919 ( -3.739 -3.817 -8.398) 9.953 7.107 ( 0.820 -1.845 5.150) 5.531 7.184 ( -11.050 -4.055 -1.371) 11.850 7.322 ( 2.822 -0.385 -2.494) 3.786 7.418 ( 7.359 -3.908 -2.811) 8.794 7.795 ( 5.220 -1.002 6.110) 8.099 7.897 ( -6.948 7.495 1.303) 10.303 8.053 ( 0.608 -3.562 3.096) 4.759 8.246 ( 5.223 -2.012 -1.772) 5.871 8.744 ( 0.747 -2.232 3.909) 4.563 8.932 ( 3.560 -0.840 -6.001) 7.028 9.087 ( -3.434 -5.602 -3.453) 7.423 9.145 ( 0.488 1.017 -1.181) 1.633 9.347 ( -1.984 -1.058 -0.940) 2.437 9.551 ( -6.443 0.965 9.857) 11.816 9.723 ( -1.429 1.635 1.046) 2.410 9.946 ( -2.769 7.316 0.703) 7.854 10.102 ( 6.550 -0.780 1.022) 6.675 10.581 ( -2.623 3.189 -0.404) 4.148 10.847 ( -3.376 0.470 4.358) 5.533 10.935 ( 1.649 -0.882 -2.795) 3.363 11.044 ( 3.281 0.090 -8.601) 9.206 11.375 ( 2.364 -4.055 3.685) 5.967 11.418 ( -1.575 -2.351 0.589) 2.890 11.583 ( -6.934 3.769 -2.881) 8.402 11.615 ( 1.419 4.269 1.140) 4.641 11.911 ( -0.558 0.710 4.539) 4.628 11.958 ( -0.217 5.420 -2.009) 5.784 12.065 ( 7.289 1.474 -4.698) 8.797 12.197 ( 3.154 -10.461 2.086) 11.123 12.367 ( -1.442 -2.595 -10.138) 10.564 12.676 ( 4.468 -0.810 3.870) 5.966 12.995 ( -1.115 2.324 4.844) 5.487 14.693 ( -2.124 0.477 -1.764) 2.802 14.752 ( 3.849 6.934 2.507) 8.317 14.906 ( -1.808 -4.226 1.782) 4.930 15.073 ( 1.057 -4.807 -1.266) 5.082 15.260 ( 0.863 2.479 -0.581) 2.688 15.364 ( 2.302 -0.143 -1.279) 2.637 15.378 ( 0.572 -2.112 5.316) 5.748 15.444 ( -0.341 3.989 -5.106) 6.488 15.619 ( -2.827 -0.305 -1.943) 3.444 16.009 ( -1.630 -4.606 2.667) 5.566 16.242 ( -5.735 -3.777 8.746) 11.120 16.427 ( 3.823 3.568 -3.675) 6.392 16.887 ( -2.886 0.131 3.129) 4.259 17.160 ( -4.914 -0.375 4.609) 6.748 17.399 ( 2.652 -3.054 -7.207) 8.265 17.578 ( 2.904 -3.081 -4.729) 6.348 25.612 ( -2.236 0.815 1.561) 2.847 25.656 ( -0.359 0.345 -0.175) 0.528 25.690 ( -1.224 2.897 -0.552) 3.193 25.730 ( -0.414 0.434 1.466) 1.584 25.800 ( 0.723 -1.192 0.137) 1.401 26.133 ( 4.328 0.721 -3.604) 5.678 26.431 ( 2.856 0.029 5.206) 5.938 26.499 ( -0.999 -1.488 3.140) 3.616 26.833 ( -2.023 1.673 -10.551) 10.873 27.247 ( 6.348 -0.733 12.458) 14.001 27.881 ( -5.366 -1.011 -4.191) 6.883 28.276 ( -1.096 -2.108 -1.485) 2.801 28.432 ( 1.170 1.619 -4.503) 4.926 28.822 ( 2.425 7.041 -3.218) 8.112 29.067 ( -4.279 -4.781 2.443) 6.865 29.332 ( -0.344 -1.245 1.785) 2.203 ======================= Grid point 172 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -12.498 14.606 14.011) 23.787 2.133 ( -9.934 19.000 20.576) 29.716 2.597 ( -9.447 19.385 12.686) 25.019 2.665 ( 3.532 20.838 -0.607) 21.143 2.907 ( 7.840 5.165 -7.857) 12.243 3.012 ( -0.765 5.255 -11.964) 13.090 3.322 ( -1.832 0.611 3.875) 4.330 3.541 ( -2.429 8.142 -6.536) 10.720 3.651 ( 8.374 2.619 -0.009) 8.774 3.818 ( 0.790 3.322 -2.596) 4.289 3.881 ( -1.241 6.707 5.618) 8.836 4.032 ( 5.385 0.061 -6.525) 8.460 4.127 ( 3.110 4.143 4.199) 6.668 4.391 ( 4.435 -6.320 1.846) 7.939 4.457 ( 3.253 -3.957 -4.066) 6.540 4.685 ( -5.669 3.257 7.775) 10.159 4.865 ( -6.087 6.330 -3.286) 9.377 4.890 ( -0.953 -0.613 -5.224) 5.346 4.977 ( -7.465 0.700 -2.982) 8.070 5.155 ( 2.930 -1.943 1.591) 3.859 5.420 ( -0.321 0.480 2.568) 2.632 5.558 ( 3.349 1.103 2.939) 4.590 5.588 ( 1.036 1.727 1.574) 2.556 5.799 ( 5.918 1.915 2.727) 6.791 5.998 ( 0.369 -0.999 8.208) 8.277 6.164 ( -1.581 -7.657 -7.088) 10.553 6.244 ( -1.557 1.468 1.700) 2.733 6.386 ( 7.743 2.191 1.310) 8.153 6.460 ( -3.387 -0.065 1.975) 3.921 6.590 ( -0.603 0.697 -1.463) 1.729 6.611 ( 6.531 4.124 -7.148) 10.524 6.920 ( -0.289 -3.257 -5.106) 6.063 7.045 ( -6.116 3.656 -1.748) 7.337 7.219 ( -4.971 -3.994 0.051) 6.377 7.322 ( -2.450 -3.102 -3.590) 5.340 7.496 ( 5.600 0.066 -5.419) 7.793 7.730 ( -9.537 3.037 -0.852) 10.045 7.905 ( 9.787 -1.418 2.579) 10.220 8.128 ( -2.870 -2.928 3.780) 5.577 8.266 ( 2.669 0.103 -6.055) 6.618 8.801 ( 2.317 -0.120 0.758) 2.440 9.010 ( 0.399 -7.736 -2.205) 8.054 9.092 ( 1.317 3.308 0.273) 3.571 9.157 ( 0.997 -3.030 -1.227) 3.418 9.371 ( 1.763 -1.769 -0.301) 2.516 9.577 ( 1.303 0.874 7.210) 7.379 9.634 ( -4.220 2.853 0.203) 5.098 9.830 ( -2.623 5.577 5.652) 8.362 10.152 ( 6.434 1.852 2.546) 7.163 10.492 ( -4.436 3.998 1.734) 6.218 10.819 ( -4.422 1.211 1.396) 4.792 10.922 ( -8.382 -0.386 -2.599) 8.784 11.021 ( 11.179 2.532 -9.012) 14.581 11.383 ( -3.252 2.877 -0.162) 4.345 11.406 ( -4.557 4.783 -2.209) 6.966 11.536 ( 1.912 -2.910 2.949) 4.563 11.644 ( 4.189 -2.992 2.457) 5.704 11.791 ( -0.498 6.184 4.166) 7.473 11.959 ( -4.426 -2.352 -1.172) 5.147 12.089 ( 4.597 -0.923 -3.620) 5.924 12.260 ( -7.885 0.478 -9.563) 12.404 12.382 ( 6.066 -6.414 0.257) 8.832 12.913 ( 13.993 -8.617 7.337) 17.997 13.068 ( 5.702 -6.343 8.104) 11.766 14.671 ( 1.144 -0.059 1.186) 1.649 14.716 ( 0.687 1.982 3.170) 3.801 14.932 ( -3.505 -0.978 -0.493) 3.672 15.151 ( 3.223 -3.841 -4.723) 6.888 15.219 ( 1.636 6.724 1.484) 7.078 15.283 ( -6.269 -0.138 -1.449) 6.436 15.386 ( -0.117 -1.400 -3.273) 3.562 15.498 ( 2.707 -3.365 1.812) 4.683 15.641 ( 1.818 -2.899 0.653) 3.484 16.071 ( -1.770 -2.524 1.002) 3.241 16.263 ( -3.979 1.813 4.099) 5.993 16.437 ( 2.800 -4.003 0.625) 4.925 16.841 ( -5.495 2.333 1.822) 6.241 17.153 ( -8.890 -2.120 6.169) 11.026 17.413 ( 0.134 -0.719 -6.333) 6.375 17.637 ( 2.299 -5.503 -10.747) 12.291 25.570 ( -1.709 2.773 0.809) 3.356 25.614 ( -1.066 2.798 -0.660) 3.066 25.676 ( -1.074 -1.194 4.333) 4.622 25.744 ( 0.677 -0.252 1.893) 2.026 25.816 ( 0.760 -0.096 -0.584) 0.963 26.129 ( 2.928 0.958 -4.086) 5.117 26.466 ( 1.178 0.347 0.818) 1.475 26.539 ( 1.966 -0.480 6.218) 6.539 26.743 ( -2.435 1.093 -7.492) 7.953 27.411 ( 5.940 -6.567 9.096) 12.694 27.854 ( 1.998 0.414 -1.753) 2.690 28.287 ( 2.875 1.044 -0.575) 3.112 28.384 ( 3.494 3.291 -4.326) 6.462 28.632 ( 3.482 13.883 -3.045) 14.633 29.162 ( -11.409 -8.715 -0.555) 14.367 29.330 ( -8.447 -2.896 0.845) 8.970 ======================= Grid point 173 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -10.307 18.859 24.621) 32.682 1.796 ( -9.146 25.061 17.591) 31.955 2.210 ( -12.986 20.284 24.746) 34.532 2.348 ( 5.899 25.314 10.464) 28.020 2.792 ( 12.079 12.635 -14.032) 22.416 2.900 ( -0.841 -0.217 -13.173) 13.202 3.196 ( -7.787 13.255 -3.720) 15.817 3.383 ( 2.570 13.725 8.138) 16.162 3.590 ( 3.696 10.037 3.658) 11.304 3.709 ( -2.502 9.797 -3.310) 10.639 3.813 ( 2.506 -6.040 0.257) 6.545 4.018 ( 0.925 8.866 3.453) 9.560 4.080 ( -0.766 0.873 5.578) 5.698 4.319 ( -7.724 6.337 0.051) 9.991 4.531 ( 6.476 -2.409 -11.231) 13.186 4.608 ( -12.417 2.829 1.571) 12.831 4.766 ( 1.225 -0.507 -10.726) 10.808 4.935 ( 6.334 -5.399 -10.251) 13.205 5.040 ( 2.805 -9.100 3.876) 10.281 5.256 ( 3.801 -0.402 -1.631) 4.156 5.333 ( -7.713 -5.372 0.518) 9.414 5.555 ( 8.765 5.068 3.528) 10.721 5.687 ( 4.509 -0.039 6.513) 7.922 5.894 ( 5.317 -4.718 5.516) 8.997 6.032 ( 2.448 0.994 5.240) 5.868 6.198 ( 0.233 0.854 -3.690) 3.794 6.285 ( -2.317 -6.234 -3.161) 7.364 6.418 ( 1.554 0.337 1.558) 2.227 6.448 ( -2.039 -2.777 -0.194) 3.451 6.534 ( 5.257 5.959 -2.343) 8.284 6.592 ( -1.376 -2.832 0.697) 3.225 6.919 ( -6.247 3.884 -1.458) 7.499 6.978 ( 0.249 -3.904 0.256) 3.920 7.211 ( -2.863 -2.107 -6.210) 7.156 7.361 ( -3.398 -4.257 -0.904) 5.522 7.429 ( -1.817 4.910 -3.619) 6.365 7.722 ( -0.194 -8.753 -5.752) 10.476 7.946 ( 0.771 2.710 -6.185) 6.797 8.123 ( -1.561 1.422 1.573) 2.634 8.257 ( 2.469 0.851 -3.477) 4.349 8.783 ( -0.263 3.525 0.730) 3.609 8.992 ( -1.831 1.057 -6.497) 6.832 9.153 ( -0.162 2.496 3.758) 4.514 9.215 ( 4.068 -4.871 4.160) 7.588 9.393 ( 5.373 5.813 -1.216) 8.008 9.478 ( -2.233 -0.499 -2.354) 3.283 9.740 ( -0.105 -2.237 8.092) 8.396 9.787 ( 1.210 -2.295 5.405) 5.995 10.172 ( 4.445 2.612 5.048) 7.216 10.413 ( -3.774 2.999 3.612) 6.024 10.745 ( -5.079 2.563 -3.750) 6.814 10.766 ( -8.780 6.568 -7.809) 13.461 11.069 ( 15.686 1.113 -5.927) 16.805 11.268 ( -5.770 4.983 0.881) 7.675 11.304 ( -2.938 4.283 5.245) 7.381 11.591 ( 3.033 -0.044 -1.954) 3.608 11.723 ( 3.150 -3.217 0.401) 4.520 11.805 ( -0.223 -0.484 7.708) 7.726 11.945 ( -4.346 -3.133 -2.609) 5.959 12.147 ( 3.300 -2.637 -1.808) 4.595 12.198 ( -3.124 -3.600 -2.285) 5.286 12.512 ( 9.511 -1.964 0.267) 9.715 13.125 ( 1.760 -5.262 12.658) 13.821 13.372 ( 20.886 -10.831 3.453) 23.779 14.695 ( 3.184 2.202 4.545) 5.970 14.756 ( -2.813 -6.379 0.051) 6.972 14.904 ( -1.676 -0.097 -0.522) 1.758 15.100 ( 1.618 6.397 -1.294) 6.725 15.216 ( -7.979 -0.340 -4.251) 9.047 15.226 ( -2.507 -4.241 -2.732) 5.634 15.443 ( 3.904 -5.600 -3.008) 7.460 15.560 ( -1.130 -2.473 2.218) 3.509 15.731 ( 5.984 -2.392 2.187) 6.805 16.067 ( 0.289 1.652 -2.214) 2.778 16.206 ( -1.513 3.031 4.402) 5.555 16.565 ( -0.315 -7.925 2.076) 8.199 16.759 ( -6.154 3.148 2.059) 7.212 17.150 ( -14.772 -4.041 8.522) 17.526 17.363 ( -0.983 1.968 -7.803) 8.107 17.652 ( -1.622 -2.636 -16.771) 17.054 25.518 ( -0.994 2.602 1.240) 3.049 25.558 ( -0.520 2.692 -0.470) 2.781 25.730 ( -0.088 -1.470 3.285) 3.600 25.768 ( -1.129 -1.719 4.687) 5.119 25.811 ( 1.289 0.485 0.301) 1.410 26.109 ( 2.067 1.349 -3.822) 4.549 26.444 ( -1.476 1.277 -2.072) 2.847 26.540 ( 0.378 3.713 -4.118) 5.558 26.755 ( 1.812 -4.456 6.495) 8.082 27.580 ( -7.383 -9.364 -3.781) 12.510 27.931 ( 15.836 -1.122 7.815) 17.695 28.264 ( 10.541 6.280 -5.853) 13.595 28.385 ( 10.343 1.077 4.908) 11.499 28.434 ( 5.172 11.294 -0.859) 12.452 29.044 ( -21.394 3.582 -12.363) 24.968 29.367 ( -14.690 -8.274 6.710) 18.146 ======================= Grid point 174 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.048 27.418 22.792) 35.654 1.542 ( -19.855 9.494 31.325) 38.284 2.053 ( -4.059 10.348 28.017) 30.142 2.086 ( 13.134 20.864 30.084) 38.896 2.576 ( 7.464 14.026 -13.612) 20.922 2.800 ( -3.528 1.368 -19.595) 19.957 2.912 ( 5.147 10.651 -8.405) 14.511 3.168 ( -8.194 10.720 13.607) 19.163 3.429 ( 1.446 11.756 -4.940) 12.834 3.602 ( -6.232 3.038 10.530) 12.607 3.874 ( -4.949 4.228 3.073) 7.198 3.947 ( -1.756 -5.754 -4.366) 7.433 4.096 ( 1.737 1.961 -1.515) 3.026 4.242 ( 2.858 -2.341 1.517) 3.994 4.440 ( -5.780 5.618 -0.350) 8.068 4.536 ( 3.642 -0.417 -12.031) 12.577 4.772 ( -3.868 -4.345 -7.337) 9.364 4.975 ( 6.184 -0.744 -12.008) 13.527 5.185 ( -2.293 -0.640 -3.621) 4.333 5.242 ( 3.652 -3.096 6.674) 8.214 5.536 ( 3.068 -10.074 0.601) 10.548 5.558 ( 6.286 -0.904 0.115) 6.352 5.697 ( 4.476 5.299 4.966) 8.531 6.024 ( 7.070 -1.382 4.418) 8.451 6.066 ( 3.746 0.519 5.420) 6.609 6.199 ( -1.764 -2.076 -1.584) 3.152 6.308 ( 4.603 2.680 -3.852) 6.573 6.372 ( -9.915 -0.455 3.111) 10.401 6.435 ( -2.907 0.381 -5.853) 6.546 6.522 ( 1.077 -1.129 -2.993) 3.375 6.669 ( -4.132 -3.405 6.858) 8.700 6.808 ( -0.612 3.267 1.559) 3.672 7.086 ( -2.327 -7.323 -4.687) 9.000 7.174 ( -4.388 -1.054 -8.234) 9.390 7.379 ( 0.602 -1.586 4.383) 4.700 7.436 ( 8.451 -3.925 1.680) 9.469 7.791 ( -4.808 3.213 -12.791) 14.038 7.881 ( -8.594 -9.348 -3.849) 13.268 8.049 ( 0.664 6.195 2.901) 6.873 8.258 ( 5.022 0.417 -4.268) 6.604 8.714 ( -0.642 4.103 2.172) 4.687 8.932 ( 0.022 1.185 -7.461) 7.555 9.100 ( -2.824 3.145 0.393) 4.245 9.214 ( -0.426 6.114 3.326) 6.973 9.383 ( 1.999 -2.329 -1.660) 3.489 9.486 ( 0.837 2.788 1.317) 3.195 9.823 ( 4.343 -7.155 3.977) 9.266 9.910 ( 0.856 -3.996 2.396) 4.737 10.197 ( 1.231 0.244 6.842) 6.956 10.376 ( -1.374 1.533 4.832) 5.253 10.528 ( -5.399 9.495 -8.383) 13.769 10.646 ( -1.977 3.440 -4.188) 5.769 11.098 ( -1.969 2.817 4.390) 5.575 11.218 ( 9.659 0.397 -4.886) 10.832 11.267 ( -0.245 2.334 6.791) 7.186 11.586 ( 0.925 0.625 -2.982) 3.184 11.774 ( 0.897 0.025 2.713) 2.858 11.854 ( 1.607 -2.739 2.484) 4.031 11.972 ( 1.045 -2.355 -5.185) 5.790 12.131 ( -5.150 -1.775 -6.779) 8.697 12.368 ( 7.359 -8.169 9.313) 14.409 12.593 ( 10.497 2.160 0.831) 10.749 13.252 ( -5.546 -2.922 16.788) 17.920 13.707 ( 23.603 -7.273 -4.352) 25.078 14.717 ( 4.685 0.209 1.455) 4.910 14.769 ( -3.544 -0.300 -1.226) 3.762 14.913 ( 0.277 2.053 -0.329) 2.097 15.029 ( -12.911 6.070 -3.827) 14.771 15.103 ( 1.254 -5.774 2.743) 6.515 15.324 ( -1.299 -7.822 -4.085) 8.919 15.553 ( -1.543 -0.126 1.810) 2.382 15.617 ( 2.381 -9.620 -1.906) 10.091 15.797 ( 2.731 -0.603 -0.158) 2.801 16.008 ( 3.997 5.312 -6.294) 9.155 16.250 ( 8.915 -2.767 7.812) 12.172 16.628 ( -13.940 -0.014 0.944) 13.972 16.717 ( 5.313 -1.667 3.933) 6.817 17.102 ( -31.963 -4.896 4.000) 32.583 17.291 ( 4.152 1.412 -6.543) 7.876 17.511 ( -3.259 7.433 -12.697) 15.069 25.487 ( -0.244 1.337 1.815) 2.268 25.518 ( 0.164 1.722 -0.086) 1.732 25.735 ( 0.466 0.773 0.183) 0.921 25.755 ( -2.509 1.211 -1.035) 2.972 25.912 ( 0.875 -6.251 7.689) 9.948 26.081 ( 2.017 2.206 -1.932) 3.560 26.393 ( -2.449 1.459 -3.170) 4.263 26.436 ( -1.885 3.922 -4.048) 5.944 26.923 ( 5.197 -6.466 7.809) 11.393 27.552 ( -11.196 -2.135 -10.736) 15.658 28.088 ( 0.512 -4.305 0.825) 4.413 28.191 ( 2.355 5.682 -4.038) 7.358 28.353 ( 8.406 2.987 -2.600) 9.292 28.637 ( -25.125 12.416 -9.064) 29.454 28.695 ( 44.738 -3.678 15.966) 47.644 29.380 ( -19.344 -4.940 5.132) 20.614 ======================= Grid point 176 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.833 0.000 28.475) 28.488 1.746 ( 12.519 -0.000 23.841) 26.928 1.858 ( -6.264 0.000 -12.803) 14.253 2.304 ( -5.652 0.000 -5.977) 8.226 2.625 ( 6.931 -0.000 2.563) 7.389 2.793 ( 14.384 -0.000 -26.607) 30.246 2.876 ( -3.506 0.000 18.656) 18.983 3.320 ( 15.092 -0.000 30.515) 34.043 3.336 ( -7.803 0.000 -18.890) 20.438 3.429 ( 7.109 -0.000 -0.812) 7.155 3.560 ( -8.471 0.000 7.951) 11.618 3.877 ( 2.521 -0.000 -3.028) 3.940 4.235 ( -6.158 0.000 -10.848) 12.474 4.249 ( -0.390 0.000 10.867) 10.874 4.373 ( -0.871 0.000 -2.066) 2.242 4.582 ( 1.989 -0.000 4.257) 4.699 4.640 ( -0.898 0.000 3.143) 3.269 4.870 ( 2.786 -0.000 -19.076) 19.278 5.012 ( -8.043 0.000 -0.647) 8.069 5.365 ( 4.809 -0.000 -8.277) 9.572 5.570 ( -3.223 0.000 8.112) 8.729 5.747 ( 0.924 -0.000 -1.181) 1.499 5.780 ( -13.456 0.000 -9.828) 16.663 5.919 ( 5.316 -0.000 8.183) 9.758 6.187 ( 0.445 -0.000 1.316) 1.390 6.203 ( -3.362 0.000 -5.035) 6.054 6.263 ( -0.205 0.000 -7.719) 7.722 6.324 ( 6.085 -0.000 4.381) 7.498 6.391 ( 3.891 -0.000 3.839) 5.466 6.617 ( 5.969 -0.000 -3.290) 6.816 6.687 ( -5.703 0.000 16.838) 17.778 6.824 ( -6.607 0.000 -9.818) 11.834 7.002 ( 2.202 -0.000 -7.162) 7.493 7.168 ( 17.286 -0.000 2.181) 17.423 7.391 ( -7.675 0.000 3.484) 8.429 7.444 ( -9.999 0.000 -3.889) 10.728 7.725 ( 1.323 -0.000 1.769) 2.209 7.876 ( 9.586 -0.000 3.146) 10.089 8.067 ( -5.511 0.000 1.466) 5.703 8.115 ( -8.357 0.000 -5.796) 10.170 8.716 ( -0.592 0.000 3.136) 3.191 8.828 ( -0.277 0.000 -7.033) 7.038 9.042 ( 0.116 -0.000 6.775) 6.776 9.127 ( -0.473 0.000 -1.946) 2.003 9.455 ( -1.758 0.000 -1.376) 2.232 9.465 ( 3.688 -0.000 0.634) 3.742 9.817 ( -8.988 0.000 0.508) 9.003 9.991 ( -0.702 0.000 -0.563) 0.900 10.267 ( -3.229 0.000 -1.133) 3.422 10.439 ( 2.556 -0.000 3.636) 4.444 10.455 ( 7.853 -0.000 5.060) 9.342 10.555 ( 3.549 -0.000 -5.171) 6.271 10.961 ( -7.445 0.000 0.496) 7.461 11.361 ( 6.674 -0.000 -6.171) 9.089 11.377 ( 1.238 -0.000 9.381) 9.462 11.517 ( -0.464 0.000 -4.862) 4.884 11.857 ( 1.809 -0.000 3.592) 4.022 11.919 ( -1.604 0.000 -3.877) 4.196 11.935 ( -2.272 0.000 -5.542) 5.989 12.038 ( 6.925 -0.000 1.442) 7.073 12.552 ( -7.524 0.000 -3.809) 8.433 12.673 ( 1.752 -0.000 -1.291) 2.176 13.241 ( -18.968 0.000 13.634) 23.359 13.618 ( -15.738 0.000 -0.473) 15.745 14.743 ( -0.724 0.000 -2.164) 2.281 14.765 ( -1.290 0.000 1.636) 2.083 14.938 ( 5.605 -0.000 2.220) 6.029 14.984 ( 12.514 -0.000 -5.575) 13.699 15.263 ( -3.102 0.000 1.954) 3.666 15.338 ( 2.720 -0.000 -5.964) 6.555 15.402 ( -4.964 0.000 3.717) 6.201 15.749 ( -3.428 0.000 2.220) 4.084 15.759 ( -4.389 0.000 1.004) 4.502 15.923 ( 7.866 -0.000 -10.543) 13.154 16.331 ( -8.884 0.000 0.671) 8.910 16.501 ( -17.700 0.000 9.558) 20.116 16.858 ( 26.328 -0.000 -5.446) 26.885 16.912 ( -2.006 0.000 8.675) 8.904 17.393 ( 9.974 -0.000 -0.479) 9.986 17.435 ( 5.715 -0.000 -2.122) 6.096 25.498 ( -0.031 0.000 0.498) 0.499 25.519 ( 0.995 -0.000 -0.205) 1.015 25.671 ( -2.437 0.000 1.700) 2.971 25.732 ( -0.004 0.000 0.137) 0.137 26.018 ( -1.960 0.000 2.717) 3.350 26.136 ( 2.470 -0.000 -3.114) 3.974 26.301 ( -0.346 0.000 3.460) 3.477 26.363 ( 0.875 -0.000 -1.183) 1.471 27.164 ( -9.866 0.000 -7.890) 12.633 27.262 ( 8.339 -0.000 9.545) 12.674 27.879 ( -17.515 0.000 11.434) 20.916 28.105 ( -3.932 0.000 2.310) 4.560 28.164 ( 2.093 -0.000 -1.677) 2.682 28.524 ( -0.611 0.000 0.429) 0.747 28.907 ( -12.534 0.000 -8.288) 15.026 29.927 ( 37.753 -0.000 -11.562) 39.484 ======================= Grid point 177 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 9.524 -6.413 22.361) 25.137 1.876 ( -8.336 -15.898 -16.702) 24.520 2.088 ( 9.402 -14.542 15.583) 23.296 2.360 ( -3.181 -12.403 -2.873) 13.122 2.779 ( 2.795 -11.112 5.406) 12.670 2.803 ( 6.800 -6.424 -21.416) 23.370 3.016 ( -4.256 -12.635 7.754) 15.424 3.262 ( 6.162 -4.511 -21.333) 22.659 3.471 ( 0.526 -1.900 6.936) 7.211 3.586 ( -3.241 -2.049 6.521) 7.565 3.667 ( 3.503 -9.252 20.063) 22.370 3.947 ( 4.526 -6.815 -3.030) 8.724 4.116 ( -5.973 0.363 -9.597) 11.309 4.298 ( -2.207 -2.704 0.709) 3.562 4.360 ( 9.161 3.143 6.158) 11.478 4.568 ( 0.356 7.818 7.374) 10.753 4.623 ( -3.328 0.250 -3.025) 4.504 4.794 ( 1.466 -0.400 -7.205) 7.364 5.013 ( -7.258 -5.939 3.304) 9.943 5.365 ( 0.583 1.226 -7.449) 7.572 5.472 ( -6.625 3.489 -7.260) 10.430 5.565 ( 1.940 9.219 4.123) 10.284 5.823 ( -1.395 -3.109 -6.511) 7.349 6.018 ( 0.549 -2.493 7.154) 7.596 6.124 ( -4.144 2.897 -5.533) 7.495 6.189 ( 0.116 -0.191 -1.821) 1.834 6.219 ( 0.853 1.681 -1.293) 2.286 6.397 ( 2.433 -2.608 3.687) 5.130 6.437 ( 4.698 1.855 0.624) 5.090 6.579 ( 2.676 4.923 -1.159) 5.721 6.745 ( -3.726 0.244 -2.030) 4.250 6.756 ( -1.579 -2.639 11.130) 11.547 6.971 ( -0.432 -0.039 -6.809) 6.823 7.232 ( -5.340 8.048 -4.688) 10.736 7.294 ( 4.928 3.113 3.320) 6.708 7.455 ( 0.944 -4.861 4.303) 6.560 7.646 ( 1.964 7.930 -3.887) 9.047 7.915 ( 8.409 9.024 5.183) 13.380 8.030 ( -6.171 -5.464 4.031) 9.176 8.096 ( -7.997 -6.893 -4.470) 11.465 8.723 ( -2.291 -0.199 2.198) 3.181 8.853 ( 0.594 -5.499 -3.121) 6.351 9.073 ( -2.668 0.325 5.863) 6.450 9.181 ( 0.148 -6.093 1.391) 6.252 9.437 ( -1.320 -0.412 -4.096) 4.323 9.455 ( -1.983 3.163 2.653) 4.580 9.808 ( -2.772 -4.811 -0.909) 5.626 9.935 ( -0.303 5.766 0.262) 5.779 10.174 ( -4.866 2.875 -0.770) 5.704 10.501 ( 1.651 -3.403 5.182) 6.415 10.572 ( 3.890 -2.180 -4.218) 6.138 10.643 ( 9.037 -9.261 -3.757) 13.474 10.919 ( -4.512 -0.145 0.522) 4.545 11.383 ( 5.084 0.003 -4.617) 6.868 11.434 ( 2.537 -0.540 6.713) 7.196 11.520 ( -0.595 -3.375 -3.975) 5.248 11.810 ( -3.467 4.297 -3.010) 6.288 11.868 ( -1.201 3.043 -0.998) 3.421 11.938 ( 1.118 -2.508 -1.379) 3.073 12.087 ( 8.082 3.284 4.384) 9.763 12.458 ( -6.523 1.416 -2.771) 7.227 12.632 ( -1.137 3.557 -6.550) 7.540 13.121 ( -22.672 0.997 7.557) 23.919 13.499 ( -12.378 1.986 0.543) 12.548 14.730 ( -3.402 -1.145 0.868) 3.693 14.790 ( 1.368 -1.657 1.226) 2.474 14.927 ( -4.262 4.420 2.573) 6.658 15.027 ( 10.368 4.581 -4.211) 12.092 15.185 ( 0.616 2.664 1.233) 3.000 15.327 ( 6.302 3.361 -1.124) 7.230 15.413 ( 0.813 -2.354 -4.028) 4.735 15.656 ( 0.317 6.385 3.746) 7.409 15.745 ( -5.128 -0.860 -0.495) 5.223 16.005 ( 2.158 -5.464 -6.013) 8.407 16.253 ( -8.377 1.568 2.045) 8.764 16.484 ( -9.889 -4.653 7.020) 12.990 16.826 ( 8.373 9.148 3.234) 12.816 17.077 ( 11.813 -3.610 2.325) 12.570 17.415 ( 6.585 2.619 0.776) 7.129 17.518 ( 6.912 -1.461 -3.662) 7.957 25.507 ( 0.040 -0.983 0.396) 1.060 25.540 ( 1.146 -1.588 -0.799) 2.115 25.680 ( -1.921 -1.679 2.147) 3.335 25.742 ( -0.527 -1.075 0.753) 1.414 25.992 ( -2.341 2.137 0.784) 3.265 26.134 ( 1.001 -0.694 -4.649) 4.805 26.336 ( 2.264 -0.700 4.578) 5.155 26.363 ( 0.992 0.529 0.175) 1.138 27.047 ( -7.758 1.465 -6.726) 10.372 27.360 ( 8.635 2.203 12.696) 15.511 27.878 ( -12.566 -5.116 8.672) 16.102 28.068 ( -4.242 -0.440 -1.313) 4.463 28.233 ( -1.900 -6.269 -0.872) 6.608 28.450 ( -17.939 -3.278 -6.247) 19.276 28.880 ( 9.316 -1.179 -0.386) 9.398 30.017 ( 28.514 12.026 -11.347) 32.961 ======================= Grid point 178 (82/140) ======================= q-point: ( 0.33 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 7.363 -14.101 3.203) 16.227 2.119 ( 0.556 -15.241 8.308) 17.367 2.416 ( 5.406 -9.007 7.597) 12.964 2.570 ( -1.248 -17.025 -7.064) 18.475 2.849 ( -2.503 -11.341 -22.902) 25.679 3.088 ( 6.630 -15.895 0.150) 17.223 3.258 ( -4.583 -14.682 4.294) 15.969 3.352 ( 8.268 -5.486 -4.064) 10.723 3.528 ( -8.012 -5.320 4.545) 10.638 3.628 ( 0.769 -4.606 -1.953) 5.062 3.830 ( -5.119 -3.817 2.446) 6.838 3.972 ( -3.790 -0.806 3.591) 5.283 4.117 ( -3.230 -4.919 -8.120) 10.028 4.260 ( -0.022 11.184 -1.157) 11.244 4.451 ( -3.608 5.451 5.815) 8.750 4.504 ( 6.341 -8.006 6.493) 12.102 4.611 ( 0.884 -3.573 0.480) 3.712 4.873 ( 7.959 -5.118 -1.492) 9.579 5.101 ( -5.107 -5.468 0.355) 7.490 5.241 ( -0.151 4.485 5.967) 7.467 5.447 ( 1.244 -4.316 -6.793) 8.144 5.493 ( 6.460 4.249 0.509) 7.749 5.809 ( -0.670 0.877 -2.459) 2.695 6.003 ( -0.958 8.166 5.841) 10.085 6.036 ( -2.961 -1.479 -9.882) 10.422 6.166 ( 3.542 1.247 -2.254) 4.379 6.238 ( -0.419 -2.324 4.149) 4.774 6.374 ( -0.341 5.591 -5.142) 7.604 6.451 ( -1.786 -0.626 -1.098) 2.188 6.534 ( -0.360 0.621 -2.904) 2.992 6.739 ( 0.980 -0.985 0.733) 1.571 6.846 ( -0.327 -1.632 5.619) 5.860 6.963 ( 1.590 -2.432 1.694) 3.364 7.007 ( -8.681 7.618 -2.488) 11.814 7.246 ( -1.327 3.652 -0.492) 3.917 7.466 ( -1.926 4.762 4.609) 6.901 7.671 ( 8.666 -4.204 -0.514) 9.646 7.860 ( 7.411 4.461 5.567) 10.287 8.094 ( -3.736 -3.420 0.179) 5.068 8.156 ( -5.578 -5.726 1.543) 8.141 8.712 ( -4.905 -0.853 1.401) 5.172 8.950 ( 2.648 -4.756 0.663) 5.484 9.030 ( -6.744 3.319 3.708) 8.381 9.291 ( -3.238 -3.877 3.919) 6.394 9.366 ( 0.613 3.264 -1.339) 3.580 9.456 ( -1.156 -4.251 -2.659) 5.146 9.775 ( -3.155 8.052 0.722) 8.678 9.908 ( 0.267 -4.610 -0.570) 4.653 10.131 ( -2.357 -1.154 -2.362) 3.531 10.601 ( 2.030 -3.254 -1.049) 3.976 10.650 ( 5.360 -4.973 3.839) 8.258 10.790 ( -4.890 -6.992 -8.651) 12.151 10.955 ( 12.475 -2.230 3.291) 13.093 11.373 ( 1.821 2.417 -3.005) 4.265 11.511 ( 4.350 -2.467 1.725) 5.290 11.565 ( -0.516 -4.400 -3.969) 5.948 11.677 ( -4.850 5.309 -2.369) 7.570 11.813 ( -1.440 2.254 3.449) 4.364 11.981 ( 1.154 -2.416 -3.307) 4.255 12.097 ( 7.799 5.970 6.699) 11.889 12.367 ( 0.062 4.891 -6.835) 8.405 12.504 ( -1.648 4.859 -5.290) 7.370 12.952 ( -21.839 1.190 2.074) 21.969 13.339 ( -11.781 6.110 -1.322) 13.336 14.735 ( -5.283 0.027 3.992) 6.622 14.759 ( -2.177 2.540 -0.819) 3.444 14.903 ( 2.200 -3.292 -2.297) 4.578 14.986 ( 2.822 4.356 5.679) 7.693 15.151 ( 2.486 3.452 -1.544) 4.525 15.363 ( 4.544 -0.852 -1.208) 4.778 15.440 ( 7.143 -0.491 -6.144) 9.434 15.593 ( 2.473 4.991 3.519) 6.588 15.706 ( -6.175 -0.556 -1.037) 6.286 16.021 ( -2.735 0.601 -2.561) 3.795 16.192 ( -8.510 0.391 4.903) 9.829 16.517 ( -4.071 -2.147 2.762) 5.367 16.805 ( 10.503 3.939 5.621) 12.547 17.198 ( 6.909 -0.360 3.837) 7.912 17.414 ( 3.536 3.038 -0.144) 4.664 17.535 ( 4.211 1.158 -4.280) 6.114 25.538 ( 0.522 -2.183 0.778) 2.375 25.575 ( 0.920 -2.019 -1.041) 2.450 25.708 ( -1.643 -2.109 1.592) 3.111 25.759 ( -1.318 -0.913 1.307) 2.069 25.920 ( -2.430 3.715 -2.224) 4.965 26.132 ( 1.284 -0.919 -4.974) 5.219 26.375 ( 1.230 0.002 4.390) 4.559 26.396 ( 2.470 -1.310 3.658) 4.604 26.941 ( -4.917 0.993 -7.707) 9.196 27.417 ( 7.049 7.317 14.137) 17.409 27.864 ( -12.070 -1.877 -0.232) 12.218 28.051 ( -7.155 -5.865 -3.280) 9.816 28.329 ( -6.211 -9.110 -0.661) 11.046 28.407 ( -6.640 -7.249 -5.097) 11.073 29.018 ( 10.088 -2.853 6.088) 12.123 29.898 ( 20.736 18.427 -8.744) 29.086 ======================= Grid point 179 (83/140) ======================= q-point: ( 0.44 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 7.552 -1.340 7.756) 10.908 2.414 ( -1.840 -15.715 10.252) 18.853 2.548 ( -0.145 -6.868 -1.154) 6.966 2.788 ( 1.974 -10.076 -4.718) 11.299 2.939 ( -5.562 -15.541 -15.192) 22.433 3.280 ( 8.112 -0.201 -11.698) 14.237 3.420 ( -5.756 -8.533 -3.054) 10.736 3.463 ( -2.097 -5.955 3.442) 7.190 3.600 ( 1.718 -2.779 -4.534) 5.588 3.705 ( -0.928 -5.116 1.738) 5.482 3.848 ( -1.256 -5.445 -0.658) 5.626 3.986 ( -4.987 0.075 9.089) 10.367 4.102 ( 1.597 5.105 1.796) 5.643 4.179 ( -5.775 -9.613 -0.087) 11.215 4.273 ( -4.183 10.080 -1.440) 11.008 4.578 ( -2.785 -0.807 2.966) 4.148 4.839 ( 3.965 -9.029 3.943) 10.620 4.941 ( -3.525 -0.534 -2.841) 4.559 5.152 ( 5.539 -7.776 0.691) 9.572 5.251 ( 6.022 5.929 3.915) 9.313 5.462 ( 1.355 -0.053 1.314) 1.888 5.645 ( 9.266 -6.484 -0.959) 11.350 5.725 ( 1.581 6.940 -3.985) 8.157 5.890 ( -1.414 3.271 3.103) 4.726 6.037 ( 3.405 -2.174 -7.634) 8.637 6.199 ( 5.378 -1.186 -1.004) 5.598 6.214 ( -8.788 4.266 -7.038) 12.041 6.323 ( -0.029 -3.600 4.850) 6.040 6.431 ( 0.977 -0.923 2.316) 2.678 6.501 ( -1.861 -0.583 -6.809) 7.083 6.750 ( -0.947 -2.260 -5.014) 5.581 6.772 ( -4.759 9.312 6.491) 12.308 6.956 ( -1.528 -5.073 0.709) 5.345 7.069 ( 2.069 -3.691 4.363) 6.078 7.200 ( -5.174 -1.230 2.730) 5.978 7.434 ( 3.425 1.273 2.135) 4.233 7.763 ( 1.719 -1.677 2.811) 3.697 7.934 ( 6.883 -2.261 1.816) 7.469 8.119 ( -0.997 -1.427 0.812) 1.921 8.153 ( -5.665 1.338 1.876) 6.116 8.699 ( -7.236 -2.571 1.720) 7.869 8.922 ( -3.005 4.526 0.283) 5.440 9.044 ( 2.320 -2.350 2.276) 4.010 9.235 ( -1.679 4.594 0.602) 4.929 9.359 ( -0.262 -0.074 -3.466) 3.477 9.564 ( 0.864 -7.363 2.483) 7.819 9.626 ( -6.629 5.043 2.795) 8.785 9.996 ( 2.242 -5.035 -0.233) 5.516 10.113 ( -1.011 1.067 -2.989) 3.331 10.638 ( 2.954 0.020 -2.229) 3.700 10.774 ( -6.359 -4.086 -2.368) 7.921 10.820 ( 2.666 -6.186 2.012) 7.030 11.125 ( 16.767 0.100 -0.647) 16.780 11.317 ( 0.307 2.855 1.554) 3.265 11.494 ( -2.872 4.672 -3.443) 6.475 11.589 ( -4.494 -0.623 0.773) 4.602 11.661 ( 3.916 -6.288 -4.115) 8.474 11.818 ( -1.421 -1.540 4.234) 4.724 11.985 ( -0.623 -0.908 -6.869) 6.956 12.071 ( 6.312 7.014 5.484) 10.914 12.278 ( 8.211 3.617 -4.083) 9.858 12.414 ( -0.028 4.529 -2.635) 5.240 12.763 ( -17.202 3.261 -1.661) 17.587 13.128 ( -11.833 5.774 -1.933) 13.307 14.685 ( -0.956 0.450 -0.549) 1.191 14.767 ( -2.869 -2.602 0.379) 3.891 14.939 ( 1.670 -0.655 0.524) 1.868 14.986 ( -0.625 2.274 2.152) 3.192 15.162 ( 3.242 -3.220 4.420) 6.357 15.362 ( 2.129 1.657 -5.229) 5.884 15.461 ( 6.011 2.024 -4.167) 7.589 15.552 ( 2.948 4.059 0.964) 5.108 15.670 ( -4.648 -0.353 -1.702) 4.963 15.955 ( -6.025 1.893 2.716) 6.875 16.155 ( -6.802 -0.495 6.885) 9.691 16.517 ( 0.026 0.729 -0.561) 0.921 16.887 ( 10.106 0.629 5.343) 11.448 17.233 ( 2.117 2.635 4.499) 5.627 17.364 ( 0.943 3.047 -3.461) 4.707 17.534 ( 2.111 -0.241 -2.669) 3.411 25.590 ( 0.609 -2.586 1.267) 2.944 25.606 ( 0.386 -1.574 -0.407) 1.671 25.733 ( -1.380 -1.556 -0.149) 2.085 25.761 ( -1.658 0.016 1.457) 2.207 25.824 ( -1.437 3.931 -2.991) 5.145 26.137 ( 1.799 -0.821 -4.345) 4.774 26.421 ( 0.394 -1.492 6.316) 6.502 26.443 ( 1.892 -0.286 3.141) 3.678 26.863 ( -2.396 0.143 -9.908) 10.194 27.365 ( 1.237 8.351 10.211) 13.249 27.815 ( -6.907 -3.280 -3.714) 8.501 28.123 ( -3.294 -6.647 2.753) 7.912 28.385 ( -2.689 -4.261 -3.977) 6.419 28.533 ( -4.358 -12.465 -0.541) 13.216 29.147 ( 5.100 -1.325 5.766) 7.812 29.671 ( 13.758 19.691 -6.437) 24.869 ======================= Grid point 180 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -6.304 6.610 9.257) 13.005 2.513 ( -0.040 1.543 5.988) 6.184 2.799 ( 1.767 -11.982 7.121) 14.050 2.881 ( -2.705 -4.312 -0.075) 5.091 3.045 ( -2.887 -5.953 -13.847) 15.346 3.150 ( 2.797 11.115 -7.093) 13.479 3.478 ( 2.208 0.432 -4.152) 4.722 3.523 ( -3.692 -8.245 -6.571) 11.171 3.604 ( -3.894 -2.905 3.064) 5.743 3.791 ( 5.086 2.045 -2.958) 6.229 3.919 ( -0.676 -2.023 0.287) 2.152 4.041 ( 1.039 -4.430 3.745) 5.893 4.086 ( 3.730 -4.872 -2.450) 6.607 4.147 ( 5.176 3.761 1.711) 6.623 4.327 ( -6.913 -9.357 5.263) 12.769 4.596 ( -3.936 -3.241 2.265) 5.578 4.864 ( -6.734 -0.200 0.954) 6.804 4.943 ( -1.364 -0.601 -1.696) 2.258 5.175 ( 5.906 6.408 -2.541) 9.078 5.390 ( 4.194 -5.036 10.268) 12.182 5.443 ( 3.754 9.661 -1.401) 10.459 5.491 ( -6.928 2.500 -0.433) 7.378 5.801 ( 5.305 2.133 -4.000) 6.978 5.914 ( 4.813 -0.491 -5.322) 7.192 5.994 ( -3.938 5.703 3.004) 7.553 6.053 ( -1.312 -0.422 -2.571) 2.917 6.312 ( 0.518 1.114 -3.191) 3.419 6.344 ( 8.747 -5.077 2.270) 10.366 6.469 ( -0.916 -1.439 -8.305) 8.478 6.576 ( 3.929 -5.520 2.715) 7.299 6.644 ( -2.680 5.065 9.457) 11.057 6.779 ( -0.118 -4.819 -7.747) 9.124 7.024 ( -5.436 -4.683 4.511) 8.475 7.129 ( -1.764 0.824 4.308) 4.728 7.233 ( -4.377 -7.027 -0.054) 8.279 7.466 ( 7.591 1.314 -2.160) 8.001 7.815 ( 1.039 -2.345 2.464) 3.556 7.972 ( -6.266 5.014 3.039) 8.581 8.029 ( -0.594 1.038 -1.641) 2.031 8.200 ( 0.838 -4.573 -0.912) 4.738 8.698 ( -6.870 -2.989 3.101) 8.108 8.890 ( 2.918 -2.324 -4.327) 5.713 9.047 ( 2.180 3.638 0.995) 4.356 9.215 ( 5.078 0.398 0.922) 5.176 9.327 ( -0.261 1.501 -0.803) 1.722 9.539 ( -8.525 0.821 7.791) 11.578 9.693 ( -0.880 -5.049 2.266) 5.604 10.039 ( -1.038 5.212 -1.902) 5.645 10.102 ( 4.263 -4.303 0.582) 6.085 10.625 ( 1.146 2.005 -2.115) 3.132 10.760 ( -7.281 -2.461 -3.170) 8.314 10.933 ( 1.745 -2.272 3.636) 4.629 11.130 ( 10.154 6.365 -6.391) 13.581 11.369 ( 3.903 0.003 2.341) 4.551 11.410 ( -0.799 -0.547 5.630) 5.713 11.545 ( -6.525 0.860 -0.748) 6.624 11.707 ( 1.778 2.013 -5.483) 6.106 11.858 ( -0.661 -2.570 1.076) 2.864 12.022 ( 0.110 -5.073 -3.256) 6.029 12.046 ( 4.306 0.075 1.110) 4.448 12.262 ( 5.931 10.140 -1.335) 11.823 12.290 ( -4.245 3.286 -7.922) 9.570 12.656 ( -2.094 -4.340 1.581) 5.072 13.001 ( -7.211 -0.123 1.981) 7.479 14.681 ( -0.640 0.048 -0.804) 1.029 14.807 ( -0.404 -4.333 -1.341) 4.553 14.920 ( 1.776 6.211 2.401) 6.892 14.982 ( -1.806 -4.268 0.216) 4.639 15.285 ( 1.157 -0.406 -0.020) 1.226 15.330 ( 1.487 -3.703 1.596) 4.298 15.434 ( 4.630 3.372 -3.505) 6.715 15.491 ( -1.884 4.611 -2.964) 5.796 15.616 ( -0.787 2.154 0.244) 2.306 15.934 ( -5.020 -2.647 4.413) 7.189 16.178 ( -5.388 -3.006 8.085) 10.170 16.492 ( 2.368 2.410 -2.660) 4.300 16.939 ( 4.759 3.412 3.357) 6.750 17.194 ( -1.409 4.492 4.242) 6.337 17.339 ( 1.617 -1.900 -5.239) 5.803 17.544 ( 0.986 -1.033 -2.972) 3.297 25.611 ( -1.423 -0.081 1.826) 2.316 25.649 ( 1.233 -1.613 0.325) 2.056 25.721 ( -0.977 1.726 -2.166) 2.937 25.736 ( -1.635 0.911 0.468) 1.929 25.786 ( 0.248 -0.684 0.609) 0.948 26.141 ( 1.832 -0.413 -4.115) 4.523 26.456 ( -1.857 -1.350 -0.335) 2.320 26.497 ( 3.174 -0.706 8.902) 9.477 26.791 ( -1.454 0.962 -10.296) 10.443 27.311 ( -2.406 1.477 4.856) 5.617 27.831 ( 1.551 -1.800 0.991) 2.574 28.218 ( -1.031 -4.476 4.334) 6.315 28.411 ( 0.567 -2.214 -4.213) 4.793 28.703 ( -4.605 -11.612 0.383) 12.498 29.160 ( 1.649 6.200 1.043) 6.500 29.437 ( 5.494 12.931 -3.301) 14.433 ======================= Grid point 181 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -13.107 10.279 14.974) 22.398 2.463 ( -0.148 10.459 13.184) 16.830 2.760 ( -7.923 8.018 -6.036) 12.786 2.941 ( 1.310 8.317 -8.387) 11.884 3.001 ( 4.813 6.277 -0.902) 7.962 3.041 ( 3.471 -3.884 7.967) 9.519 3.383 ( -0.524 6.509 -0.896) 6.591 3.570 ( -5.311 3.072 -2.855) 6.767 3.676 ( 5.578 -6.415 -5.651) 10.208 3.770 ( 2.468 -2.747 1.401) 3.950 3.971 ( 0.711 -3.236 -2.523) 4.165 4.060 ( 1.723 4.791 2.009) 5.474 4.222 ( 7.827 -2.031 2.085) 8.351 4.287 ( 10.194 -11.045 -1.796) 15.137 4.394 ( -5.572 -2.737 1.492) 6.384 4.617 ( -8.567 -3.595 -1.890) 9.481 4.838 ( -2.905 0.404 -1.072) 3.122 4.894 ( -3.627 0.988 -2.455) 4.490 5.066 ( -3.912 10.522 0.384) 11.233 5.205 ( -1.611 7.946 -1.235) 8.201 5.484 ( 1.138 -4.050 4.979) 6.518 5.536 ( -4.758 9.419 4.762) 11.578 5.629 ( 1.847 -0.178 -1.883) 2.644 5.948 ( -2.928 -3.865 -6.782) 8.337 5.954 ( 5.961 2.569 4.870) 8.115 6.115 ( 9.901 1.456 4.989) 11.182 6.272 ( 0.938 1.608 -2.041) 2.762 6.424 ( 0.202 0.270 -2.157) 2.183 6.502 ( 4.447 -1.706 -3.906) 6.160 6.623 ( 1.173 2.285 7.148) 7.596 6.643 ( 2.204 -0.905 -2.634) 3.552 6.827 ( 1.390 -4.244 -6.607) 7.975 7.037 ( -7.450 2.322 6.498) 10.155 7.109 ( -3.516 -2.777 1.109) 4.615 7.285 ( -1.702 -1.199 -5.627) 6.000 7.495 ( 6.390 -1.515 -4.603) 8.019 7.745 ( -12.750 8.759 2.997) 15.757 7.914 ( 3.953 -3.782 -3.294) 6.386 8.072 ( -1.446 -4.170 2.522) 5.084 8.230 ( -0.529 -1.132 -6.648) 6.764 8.755 ( -3.918 -6.587 3.750) 8.533 8.943 ( 5.655 -0.705 -3.175) 6.523 9.072 ( 3.736 -4.820 -1.641) 6.315 9.213 ( 5.681 5.951 1.092) 8.300 9.343 ( 0.126 -2.667 2.993) 4.011 9.554 ( -5.370 -3.989 10.151) 12.157 9.706 ( -1.999 3.461 -0.247) 4.004 9.931 ( -0.927 5.687 1.976) 6.092 10.199 ( 4.213 -2.144 2.204) 5.216 10.570 ( 0.740 4.745 0.072) 4.803 10.709 ( -9.698 -1.554 -3.610) 10.464 10.941 ( -0.918 3.075 0.925) 3.340 11.107 ( 11.495 2.366 -4.893) 12.715 11.364 ( 0.002 0.215 -1.128) 1.148 11.460 ( -1.726 2.379 -2.242) 3.697 11.497 ( -4.151 -1.519 4.807) 6.530 11.686 ( 5.499 0.282 5.816) 8.009 11.888 ( -2.021 -1.919 -1.743) 3.287 11.949 ( -1.402 9.661 0.244) 9.765 12.082 ( -0.193 1.169 -2.521) 2.785 12.150 ( -7.274 0.728 -12.920) 14.845 12.251 ( 3.776 -9.722 -3.563) 11.022 12.872 ( 9.479 -11.567 6.894) 16.467 13.038 ( -0.134 -5.276 6.471) 8.350 14.662 ( -0.633 0.752 0.140) 0.993 14.843 ( 0.566 5.459 2.542) 6.048 14.875 ( 1.515 -3.152 -0.661) 3.559 15.051 ( -1.595 -5.480 -2.230) 6.127 15.233 ( -3.365 1.504 -2.277) 4.332 15.334 ( -4.685 5.748 -3.070) 8.026 15.407 ( 5.382 2.971 -2.060) 6.484 15.461 ( 1.658 -3.770 0.795) 4.194 15.634 ( 3.934 -1.879 4.590) 6.330 15.988 ( -4.343 -5.171 2.706) 7.275 16.228 ( -6.299 -3.081 8.044) 10.671 16.455 ( 3.820 2.661 -3.469) 5.806 16.892 ( -0.940 4.902 2.563) 5.611 17.126 ( -4.632 2.779 3.350) 6.356 17.371 ( 3.037 -1.876 -6.091) 7.060 17.554 ( 0.915 -1.905 -5.766) 6.141 25.599 ( -1.630 1.493 2.031) 3.002 25.646 ( -0.438 1.986 -0.325) 2.059 25.686 ( -0.063 0.757 1.980) 2.121 25.745 ( 0.339 -1.320 1.551) 2.065 25.807 ( 0.214 -1.052 -0.303) 1.115 26.137 ( 1.548 0.110 -4.255) 4.529 26.452 ( -2.186 -0.829 -1.980) 3.063 26.578 ( 3.291 -0.868 5.018) 6.063 26.718 ( -1.231 1.164 -4.424) 4.737 27.319 ( -5.287 -4.516 -1.341) 7.081 27.905 ( 6.991 -0.914 5.914) 9.203 28.308 ( 4.936 -2.799 4.024) 6.956 28.422 ( 2.826 0.227 -3.055) 4.168 28.807 ( -1.733 -0.898 -1.388) 2.395 29.014 ( -3.432 5.626 -0.261) 6.595 29.297 ( -4.053 4.890 -2.685) 6.895 ======================= Grid point 182 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -17.721 12.772 20.552) 29.993 2.259 ( -2.489 21.731 14.479) 26.231 2.522 ( 0.470 11.725 -0.518) 11.746 2.768 ( 2.260 11.931 4.237) 12.861 2.900 ( 4.652 9.785 -3.366) 11.345 3.085 ( 12.022 10.110 0.226) 15.710 3.261 ( -7.942 5.847 -0.340) 9.868 3.512 ( 2.125 -1.182 1.155) 2.692 3.764 ( 3.481 -2.485 1.426) 4.509 3.781 ( -0.095 5.837 -2.148) 6.221 3.918 ( 2.442 12.624 0.807) 12.884 4.079 ( 1.928 -4.021 4.764) 6.525 4.197 ( 1.019 9.312 3.469) 9.990 4.398 ( -4.609 1.870 -1.555) 5.211 4.450 ( 1.924 0.136 -6.240) 6.531 4.559 ( -9.622 0.167 -5.270) 10.972 4.718 ( -3.042 1.768 -11.752) 12.268 4.847 ( 0.703 -0.315 -2.162) 2.295 4.960 ( 1.715 -4.514 4.884) 6.868 5.197 ( -1.095 -4.828 1.447) 5.158 5.305 ( -5.602 7.522 -1.783) 9.547 5.646 ( 1.487 -7.532 6.650) 10.157 5.705 ( 7.025 1.433 2.513) 7.598 5.922 ( 2.002 -1.685 3.064) 4.029 6.087 ( 3.700 -5.843 -1.348) 7.046 6.144 ( 2.914 -0.728 0.183) 3.009 6.236 ( 3.420 4.804 -2.821) 6.537 6.382 ( -8.043 1.587 0.688) 8.227 6.497 ( 5.467 2.370 -5.573) 8.158 6.587 ( -0.287 1.774 6.730) 6.965 6.663 ( 6.459 3.497 -6.015) 9.493 6.870 ( -3.897 -1.535 1.968) 4.628 6.974 ( -1.178 2.274 5.066) 5.677 7.130 ( -5.612 -3.129 -3.889) 7.511 7.268 ( 4.186 -2.634 -5.662) 7.518 7.507 ( -3.197 8.039 -1.460) 8.774 7.565 ( -4.502 -4.729 -3.324) 7.326 7.913 ( -4.881 1.395 -12.175) 13.191 8.143 ( 0.547 -2.421 3.806) 4.544 8.233 ( 1.234 -2.956 -3.160) 4.500 8.822 ( -1.467 -0.161 2.577) 2.970 8.978 ( 2.950 0.110 -3.476) 4.561 9.165 ( 0.270 -2.462 2.817) 3.751 9.200 ( 4.308 -1.520 1.068) 4.691 9.414 ( 2.335 -3.628 0.833) 4.394 9.539 ( -3.698 7.532 -3.111) 8.950 9.697 ( 0.470 -5.119 9.897) 11.153 9.862 ( -0.767 4.653 5.207) 7.026 10.246 ( 0.443 0.787 4.432) 4.523 10.497 ( 1.674 5.740 3.450) 6.903 10.635 ( -7.172 -0.734 -7.055) 10.087 10.841 ( -2.400 6.263 -2.667) 7.218 11.167 ( 13.504 0.434 -4.049) 14.105 11.301 ( -4.708 3.964 -0.450) 6.171 11.382 ( -2.125 4.615 3.122) 5.963 11.559 ( 1.948 -5.866 -0.691) 6.220 11.751 ( 3.665 3.889 -0.033) 5.344 11.826 ( -2.321 -1.728 5.644) 6.343 11.873 ( -4.211 1.743 0.332) 4.570 12.062 ( -3.931 -2.885 -9.603) 10.771 12.119 ( 2.848 -5.167 0.425) 5.915 12.436 ( 3.909 -10.530 -5.536) 12.522 13.102 ( -0.807 -6.182 12.108) 13.619 13.291 ( 12.418 -14.958 3.246) 19.709 14.671 ( -0.593 -2.210 1.868) 2.954 14.778 ( -0.811 3.373 2.166) 4.090 14.911 ( 2.000 1.147 2.006) 3.056 15.082 ( -6.467 -1.685 -2.897) 7.284 15.162 ( -1.488 -0.127 -5.140) 5.352 15.225 ( -1.561 3.326 -4.243) 5.613 15.416 ( 5.171 0.042 -0.064) 5.172 15.501 ( -0.857 -2.317 -1.557) 2.921 15.761 ( 6.102 -3.407 6.464) 9.520 16.043 ( -2.541 -3.644 0.848) 4.522 16.245 ( -4.500 -0.095 5.803) 7.344 16.450 ( 0.189 -2.021 -1.487) 2.516 16.811 ( -3.776 4.203 4.005) 6.925 17.062 ( -8.133 1.427 3.505) 8.971 17.369 ( 3.374 1.332 -6.541) 7.479 17.559 ( 1.738 -1.770 -10.402) 10.693 25.560 ( -1.046 2.569 1.269) 3.051 25.598 ( -0.155 2.771 -0.456) 2.813 25.718 ( -0.637 -1.630 5.887) 6.141 25.776 ( 0.532 -0.401 2.823) 2.901 25.817 ( 0.404 -0.591 -0.572) 0.916 26.122 ( 1.609 0.556 -3.968) 4.318 26.429 ( -2.290 0.154 -2.894) 3.693 26.553 ( -1.042 2.669 -9.147) 9.585 26.765 ( 3.381 -2.828 11.523) 12.338 27.348 ( -8.524 -6.930 -5.872) 12.457 27.999 ( 2.888 -1.129 6.244) 6.971 28.371 ( 7.355 2.952 -9.034) 12.018 28.516 ( 15.633 -4.039 12.190) 20.231 28.674 ( 5.720 11.720 -0.526) 13.052 28.949 ( -12.139 1.609 -3.875) 12.843 29.177 ( -11.084 -1.361 -2.052) 11.354 ======================= Grid point 183 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -18.893 13.620 25.043) 34.199 1.926 ( 2.650 24.157 16.061) 29.129 2.371 ( 4.624 12.978 6.635) 15.292 2.629 ( 2.731 12.302 12.258) 17.580 2.731 ( 4.044 10.623 -6.681) 13.185 2.920 ( 9.855 19.514 5.146) 22.459 3.064 ( 0.189 9.233 -11.274) 14.574 3.511 ( 3.757 16.415 11.338) 20.300 3.611 ( -0.132 10.185 -5.566) 11.607 3.685 ( -3.082 8.603 6.080) 10.976 3.822 ( -4.469 2.021 -1.337) 5.083 4.008 ( -2.755 8.911 5.529) 10.842 4.151 ( 1.486 3.351 0.126) 3.668 4.253 ( 1.879 -0.270 3.455) 3.942 4.387 ( -10.204 1.367 -6.125) 11.980 4.471 ( -2.028 -1.960 -9.666) 10.069 4.693 ( 1.728 -1.633 -6.330) 6.762 4.902 ( 1.108 -4.703 -12.258) 13.176 5.107 ( -1.363 -5.181 0.889) 5.430 5.233 ( 1.257 -3.291 8.629) 9.320 5.352 ( 2.197 -11.403 -2.358) 11.849 5.628 ( 2.654 5.994 -5.833) 8.775 5.819 ( 4.510 -2.361 6.672) 8.392 6.064 ( 5.899 -5.344 5.561) 9.710 6.115 ( -0.895 1.553 2.035) 2.712 6.152 ( -0.096 1.131 -2.555) 2.796 6.244 ( 1.593 -4.986 -3.948) 6.556 6.307 ( -8.074 -0.845 0.166) 8.120 6.445 ( 0.028 2.891 -4.668) 5.491 6.560 ( 0.666 3.706 -3.126) 4.894 6.684 ( 7.292 1.734 7.656) 10.714 6.833 ( -3.586 0.309 2.865) 4.601 6.968 ( -4.015 -1.189 -3.376) 5.379 7.114 ( -0.082 -1.493 -2.685) 3.073 7.368 ( 1.207 -1.974 2.725) 3.575 7.413 ( 5.659 -3.403 -2.716) 7.140 7.642 ( -4.802 -8.625 -4.067) 10.677 7.733 ( -7.759 3.150 -13.772) 16.118 8.151 ( -1.760 3.888 3.578) 5.569 8.273 ( 1.895 -0.631 -2.130) 2.920 8.778 ( -1.524 3.808 2.007) 4.567 8.933 ( 1.615 2.950 -6.223) 7.073 9.164 ( -2.439 3.976 2.583) 5.332 9.313 ( 0.546 -5.718 6.475) 8.656 9.341 ( -3.073 6.881 -4.157) 8.606 9.532 ( 6.201 -1.440 -2.658) 6.899 9.788 ( -2.997 -1.862 7.920) 8.671 9.855 ( 0.004 -2.363 4.112) 4.743 10.232 ( -4.993 1.246 6.580) 8.354 10.448 ( 1.577 4.324 5.547) 7.208 10.564 ( 3.353 2.841 -9.044) 10.055 10.698 ( -1.456 6.136 -4.764) 7.903 11.153 ( -5.913 4.949 0.733) 7.746 11.263 ( 8.650 -0.180 -4.041) 9.550 11.344 ( 1.244 2.445 6.241) 6.817 11.605 ( 3.408 1.630 -4.795) 6.104 11.783 ( 2.999 -3.210 1.885) 4.780 11.816 ( -4.183 -0.644 2.948) 5.158 11.892 ( -1.554 -5.087 -1.201) 5.453 12.041 ( -0.621 -1.191 -7.961) 8.073 12.303 ( 3.861 -9.580 8.104) 13.128 12.591 ( 4.896 -7.309 -6.738) 11.081 13.231 ( -6.020 -4.285 15.047) 16.764 13.625 ( 7.995 -13.007 -3.670) 15.703 14.728 ( -0.440 -2.201 1.182) 2.537 14.755 ( 1.119 -0.471 2.445) 2.730 14.898 ( -6.675 0.242 5.608) 8.721 14.991 ( -6.259 2.887 -1.752) 7.112 15.148 ( 4.807 2.279 -6.663) 8.526 15.190 ( 2.912 -3.497 -5.464) 7.111 15.485 ( 2.709 -4.939 0.243) 5.638 15.523 ( -3.503 -2.300 -0.653) 4.241 15.834 ( -0.387 0.990 4.070) 4.206 16.078 ( 5.348 1.018 -5.502) 7.740 16.288 ( 4.035 -4.443 8.651) 10.529 16.484 ( -6.900 -4.342 -0.301) 8.159 16.739 ( -9.396 2.150 8.017) 12.537 16.974 ( -7.233 3.531 2.599) 8.458 17.332 ( 4.568 2.637 -5.367) 7.525 17.529 ( 3.547 1.377 -11.903) 12.497 25.521 ( -0.487 2.009 1.390) 2.491 25.555 ( 0.606 2.425 -0.255) 2.513 25.742 ( -1.905 0.325 2.057) 2.822 25.768 ( -0.886 1.751 0.398) 2.002 25.879 ( 1.469 -3.852 7.186) 8.285 26.110 ( 2.552 0.705 -2.792) 3.848 26.384 ( -2.295 1.384 -2.989) 4.015 26.446 ( -2.125 2.840 -8.066) 8.812 26.925 ( 5.560 -4.716 12.765) 14.701 27.343 ( -10.832 -5.221 -8.125) 14.513 28.036 ( -3.884 -1.313 4.009) 5.734 28.286 ( 2.592 6.382 -8.705) 11.100 28.517 ( 6.709 8.792 3.138) 11.496 28.652 ( -16.641 13.823 -3.593) 21.929 28.951 ( 30.692 -11.770 7.253) 33.662 29.160 ( -9.138 -6.473 -2.204) 11.413 ======================= Grid point 186 (88/140) ======================= q-point: ( 0.22 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -6.006 0.000 -18.203) 19.168 1.918 ( -4.065 0.000 -6.817) 7.937 2.009 ( 18.064 -0.000 16.433) 24.420 2.281 ( 2.949 -0.000 -1.268) 3.211 2.624 ( 1.114 -0.000 -16.822) 16.859 2.758 ( -8.764 0.000 21.544) 23.258 2.913 ( 5.564 -0.000 -5.588) 7.886 3.187 ( 11.222 -0.000 -20.449) 23.326 3.531 ( 2.010 -0.000 11.327) 11.504 3.653 ( 7.078 -0.000 8.377) 10.967 3.660 ( -7.520 0.000 8.645) 11.458 3.930 ( 8.059 -0.000 7.268) 10.852 4.014 ( -8.261 0.000 -8.288) 11.702 4.222 ( -3.820 0.000 -7.155) 8.111 4.516 ( 13.760 -0.000 6.308) 15.137 4.573 ( -5.502 0.000 -2.022) 5.862 4.706 ( 0.311 -0.000 7.741) 7.747 4.717 ( -2.180 0.000 -12.866) 13.050 4.917 ( -6.958 0.000 10.085) 12.253 5.349 ( -9.762 0.000 -2.061) 9.977 5.402 ( 4.014 -0.000 -11.376) 12.063 5.721 ( 0.320 -0.000 -2.147) 2.171 5.743 ( 3.914 -0.000 -0.209) 3.920 5.977 ( -3.145 0.000 -6.193) 6.946 6.091 ( -5.476 0.000 -1.840) 5.776 6.192 ( 0.030 -0.000 2.746) 2.747 6.251 ( 5.456 -0.000 -0.084) 5.457 6.383 ( -6.308 0.000 3.911) 7.422 6.518 ( 7.566 -0.000 1.767) 7.770 6.666 ( 3.869 -0.000 -2.889) 4.828 6.670 ( -4.087 0.000 -1.320) 4.295 6.822 ( 2.776 -0.000 16.484) 16.717 6.918 ( -3.514 0.000 -6.635) 7.508 7.294 ( -5.652 0.000 -1.464) 5.839 7.315 ( -4.065 0.000 0.953) 4.175 7.479 ( 15.541 -0.000 2.943) 15.817 7.767 ( -1.844 0.000 0.481) 1.905 7.838 ( -10.365 0.000 -5.176) 11.585 7.975 ( -5.480 0.000 2.996) 6.246 8.098 ( 6.761 -0.000 4.699) 8.234 8.737 ( -2.794 0.000 -6.352) 6.939 8.746 ( -1.191 0.000 6.564) 6.671 9.114 ( -3.651 0.000 8.016) 8.809 9.129 ( 0.605 -0.000 2.132) 2.216 9.406 ( -0.117 0.000 -0.435) 0.451 9.526 ( 4.100 -0.000 -0.797) 4.177 9.700 ( -4.881 0.000 -3.163) 5.816 9.976 ( 0.377 -0.000 -1.221) 1.277 10.161 ( -6.634 0.000 -4.830) 8.206 10.507 ( 0.820 -0.000 4.485) 4.560 10.521 ( -0.703 0.000 -7.441) 7.474 10.592 ( 7.510 -0.000 -5.669) 9.410 10.932 ( 2.135 -0.000 7.040) 7.356 11.402 ( 5.480 -0.000 -5.080) 7.472 11.466 ( 0.202 -0.000 -3.984) 3.989 11.485 ( 2.045 -0.000 7.350) 7.629 11.795 ( -4.656 0.000 -6.351) 7.875 11.883 ( -3.313 0.000 -0.130) 3.315 11.901 ( 1.840 -0.000 -0.506) 1.908 12.222 ( 11.013 -0.000 6.305) 12.690 12.377 ( -8.463 0.000 -4.156) 9.428 12.599 ( -6.141 0.000 -6.608) 9.021 12.969 ( -25.216 0.000 2.523) 25.342 13.446 ( -7.892 0.000 1.457) 8.025 14.707 ( -0.580 0.000 -2.284) 2.357 14.774 ( -0.784 0.000 3.166) 3.262 14.997 ( -8.322 0.000 1.912) 8.539 15.032 ( 2.950 -0.000 1.564) 3.338 15.265 ( 8.058 -0.000 -5.882) 9.976 15.400 ( 1.263 -0.000 0.733) 1.460 15.400 ( 9.274 -0.000 -1.654) 9.420 15.667 ( -7.433 0.000 -2.418) 7.817 15.757 ( 0.798 -0.000 3.038) 3.141 15.940 ( 2.595 -0.000 -1.543) 3.019 16.243 ( -3.764 0.000 0.965) 3.886 16.393 ( -8.875 0.000 7.764) 11.791 16.961 ( -0.014 0.000 6.783) 6.783 17.156 ( 20.631 -0.000 -6.877) 21.747 17.489 ( 3.361 -0.000 -1.294) 3.601 17.566 ( 6.295 -0.000 6.461) 9.020 25.499 ( 0.105 -0.000 -0.012) 0.105 25.531 ( 1.353 -0.000 -1.058) 1.717 25.664 ( -1.531 0.000 2.493) 2.925 25.732 ( -0.809 0.000 0.905) 1.214 25.989 ( -2.646 0.000 -1.589) 3.086 26.107 ( -0.209 0.000 -3.828) 3.834 26.369 ( 2.532 -0.000 3.905) 4.654 26.386 ( 1.509 -0.000 1.654) 2.239 26.975 ( -6.259 0.000 -5.700) 8.465 27.491 ( 7.686 -0.000 10.115) 12.704 27.795 ( -10.249 0.000 14.130) 17.456 28.072 ( -3.182 0.000 2.082) 3.802 28.163 ( -9.802 0.000 -5.190) 11.092 28.197 ( -11.548 0.000 -11.319) 16.170 28.973 ( 12.873 -0.000 5.830) 14.132 30.253 ( 23.182 -0.000 -15.101) 27.667 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -4.378 -21.709 -12.973) 25.666 2.074 ( 0.960 -24.094 -7.667) 25.303 2.232 ( 10.883 -3.985 -0.544) 11.603 2.327 ( 3.800 -9.439 -11.288) 15.197 2.635 ( 2.355 -1.398 7.468) 7.955 2.935 ( -8.917 -16.946 6.787) 20.315 2.992 ( 8.934 -5.194 -1.123) 10.395 3.233 ( 4.485 -7.179 -11.980) 14.669 3.519 ( -10.650 3.882 8.281) 14.038 3.644 ( 9.624 -0.555 -0.775) 9.671 3.762 ( -0.482 -1.522 2.112) 2.648 3.947 ( -5.083 -2.180 3.657) 6.631 3.991 ( -3.081 -0.545 -3.124) 4.421 4.314 ( 3.220 -9.205 9.499) 13.614 4.462 ( 2.801 9.300 -12.816) 16.081 4.531 ( -7.752 -0.962 -1.498) 7.954 4.643 ( 0.292 2.202 9.386) 9.645 4.806 ( 2.616 -5.680 -4.613) 7.771 5.003 ( 1.729 -4.295 8.729) 9.881 5.255 ( -7.264 -2.067 2.134) 7.848 5.407 ( 8.283 1.818 -6.582) 10.735 5.639 ( 3.662 6.781 -3.813) 8.598 5.785 ( 1.884 -2.138 -6.102) 6.735 5.909 ( -6.596 -1.844 -7.053) 9.832 6.095 ( -0.305 -3.512 -0.690) 3.592 6.226 ( 3.132 -0.084 3.083) 4.396 6.236 ( -1.097 5.828 5.500) 8.088 6.346 ( -8.191 -1.499 -2.443) 8.678 6.516 ( 1.801 6.620 0.946) 6.925 6.586 ( 2.845 4.250 -0.627) 5.153 6.719 ( -2.154 -1.472 0.340) 2.631 6.817 ( -0.592 1.112 -3.170) 3.411 6.983 ( 5.765 -2.849 10.276) 12.123 7.137 ( -3.962 10.209 0.858) 10.985 7.286 ( -2.059 3.349 -0.213) 3.937 7.526 ( -5.338 3.549 4.229) 7.679 7.701 ( 9.282 -0.718 -1.381) 9.411 7.884 ( -9.260 -7.533 -3.448) 12.425 8.018 ( -1.506 -4.396 4.681) 6.595 8.111 ( 6.702 4.779 6.533) 10.509 8.687 ( -4.358 0.507 0.144) 4.390 8.845 ( -0.407 -7.644 3.598) 8.458 9.067 ( -6.218 2.618 3.832) 7.759 9.209 ( -1.783 -5.367 5.206) 7.687 9.399 ( 4.379 2.965 -3.669) 6.437 9.466 ( -1.979 4.327 3.541) 5.931 9.762 ( 0.348 -7.876 -4.270) 8.966 9.916 ( -1.886 6.973 -2.091) 7.520 10.076 ( -2.404 -0.969 -4.695) 5.363 10.537 ( -3.415 -7.821 -10.429) 13.476 10.568 ( 0.068 -4.300 1.330) 4.502 10.659 ( 7.873 -3.273 -3.863) 9.361 11.021 ( 7.431 -2.089 9.344) 12.120 11.409 ( 3.205 0.491 -3.754) 4.961 11.474 ( 1.191 -1.587 -3.512) 4.034 11.539 ( 3.173 -0.821 3.159) 4.552 11.703 ( -4.440 3.252 -3.872) 6.729 11.847 ( -2.688 1.600 2.962) 4.308 11.927 ( 0.874 -2.025 -3.047) 3.762 12.284 ( 3.438 3.022 2.859) 5.397 12.337 ( 1.664 -0.839 -2.121) 2.823 12.488 ( -7.416 1.706 -9.294) 12.012 12.777 ( -23.881 -0.074 -0.226) 23.882 13.359 ( -6.894 4.951 -0.260) 8.492 14.701 ( -0.499 -0.815 -0.380) 1.028 14.812 ( -1.035 -0.524 2.150) 2.443 14.855 ( -6.905 4.051 3.621) 8.786 15.090 ( 2.487 -0.545 -1.246) 2.834 15.240 ( 3.948 6.366 0.177) 7.493 15.382 ( 4.126 1.370 -4.346) 6.148 15.475 ( 8.364 -0.039 -1.800) 8.556 15.618 ( -6.586 -2.092 -1.554) 7.083 15.733 ( 3.766 4.920 1.570) 6.392 15.982 ( -2.439 -1.911 1.620) 3.496 16.187 ( -3.658 2.735 3.112) 5.527 16.431 ( -5.550 -5.313 5.085) 9.214 16.974 ( 7.180 3.176 4.737) 9.169 17.270 ( 13.653 0.395 -3.534) 14.108 17.492 ( 1.577 1.632 1.529) 2.736 17.598 ( 1.594 3.596 4.718) 6.142 25.514 ( 0.525 -1.492 0.332) 1.616 25.548 ( 1.371 -1.366 -1.258) 2.308 25.675 ( -1.605 -1.275 1.961) 2.837 25.737 ( -1.494 -0.959 1.109) 2.093 25.937 ( -2.609 2.178 -3.432) 4.830 26.097 ( 0.098 -0.928 -3.675) 3.792 26.389 ( 0.678 0.255 2.473) 2.577 26.429 ( 2.455 -1.285 3.888) 4.774 26.891 ( -4.473 1.602 -5.917) 7.589 27.607 ( 5.528 -2.277 9.803) 11.483 27.761 ( -13.583 5.868 0.010) 14.796 27.915 ( -6.717 -2.164 0.072) 7.057 28.152 ( -4.747 -7.098 -0.578) 8.559 28.236 ( -1.032 -6.037 -3.084) 6.858 29.110 ( 10.037 -0.370 10.235) 14.339 30.243 ( 18.158 11.068 -14.513) 25.746 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.44 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -2.218 -29.870 0.717) 29.960 2.332 ( 0.569 -10.869 -17.314) 20.451 2.424 ( 2.757 -13.176 -6.323) 14.873 2.572 ( 12.404 -13.087 3.773) 18.422 2.701 ( -0.209 -2.196 2.791) 3.558 3.151 ( -1.004 -14.037 -5.958) 15.282 3.164 ( -4.434 -9.748 0.695) 10.731 3.340 ( -4.443 -8.301 -4.418) 10.401 3.505 ( -2.418 -6.867 3.326) 8.005 3.713 ( 7.939 1.961 -1.608) 8.335 3.752 ( -1.609 -2.864 -2.470) 4.110 3.927 ( -5.859 -3.698 -8.715) 11.133 4.057 ( -3.188 -2.992 18.442) 18.953 4.239 ( -1.836 7.678 1.669) 8.069 4.348 ( -5.925 5.824 -4.777) 9.583 4.620 ( -2.143 4.314 8.120) 9.441 4.703 ( 3.323 -13.204 3.890) 14.160 4.875 ( -0.632 -3.518 -2.234) 4.215 5.091 ( 4.401 -4.374 2.020) 6.525 5.331 ( 1.898 -1.358 1.560) 2.807 5.450 ( 3.448 -2.195 -2.914) 5.020 5.589 ( 12.007 -4.208 -9.966) 16.162 5.775 ( -1.818 -2.569 -8.917) 9.456 5.880 ( -1.831 4.041 -3.172) 5.454 6.112 ( 0.255 2.458 -0.892) 2.628 6.160 ( -4.348 2.647 4.663) 6.903 6.254 ( 1.069 0.999 2.869) 3.220 6.302 ( -0.572 -3.131 -3.672) 4.860 6.398 ( -1.818 4.966 -0.634) 5.326 6.550 ( 5.300 4.483 1.818) 7.175 6.669 ( -6.933 -1.298 -3.083) 7.698 6.864 ( 1.509 -4.180 0.444) 4.466 6.925 ( -2.483 8.805 -1.217) 9.229 7.115 ( 0.870 1.048 11.058) 11.142 7.215 ( 0.217 4.276 6.260) 7.584 7.474 ( -1.354 0.315 3.612) 3.870 7.760 ( 3.435 -0.864 -2.454) 4.309 7.930 ( -0.418 -3.935 -1.385) 4.193 8.078 ( -1.415 -2.301 2.763) 3.864 8.138 ( -1.549 0.467 6.931) 7.117 8.640 ( -5.701 0.643 1.655) 5.971 8.956 ( -4.273 1.854 2.475) 5.274 9.022 ( 0.668 -5.438 3.624) 6.568 9.282 ( -3.778 -1.231 4.811) 6.239 9.332 ( 2.733 3.602 -4.567) 6.427 9.476 ( -0.253 -3.727 3.963) 5.446 9.745 ( -1.713 9.013 -0.034) 9.174 9.888 ( 1.242 -8.164 -2.154) 8.534 10.085 ( 1.332 -1.701 -5.727) 6.121 10.594 ( -6.195 -7.802 -10.441) 14.431 10.623 ( 1.249 -2.742 -0.921) 3.150 10.786 ( 7.248 -4.885 2.349) 9.050 11.209 ( 11.923 -5.592 6.430) 14.655 11.393 ( 3.348 3.190 -0.551) 4.657 11.477 ( -1.615 -0.725 -4.613) 4.941 11.573 ( -0.418 -1.847 -4.155) 4.567 11.602 ( -1.961 3.887 0.295) 4.363 11.836 ( -0.599 0.653 5.986) 6.052 11.939 ( 0.869 -0.942 -6.125) 6.257 12.242 ( 0.966 3.156 -4.208) 5.348 12.328 ( -0.710 3.301 -1.091) 3.548 12.405 ( -0.065 -1.460 -2.888) 3.237 12.624 ( -17.378 -1.454 -2.089) 17.564 13.164 ( -8.880 9.938 -2.088) 13.489 14.705 ( -3.694 3.393 2.897) 5.792 14.723 ( -0.413 -1.012 -0.171) 1.106 14.906 ( 0.525 -3.755 -0.692) 3.854 15.056 ( 0.149 5.199 3.220) 6.117 15.189 ( 2.054 1.055 1.034) 2.530 15.377 ( 4.658 0.926 -7.264) 8.679 15.495 ( 2.298 0.893 -3.057) 3.927 15.620 ( -1.664 -1.466 0.011) 2.218 15.678 ( 4.040 5.855 1.390) 7.248 15.955 ( -5.690 1.782 3.086) 6.713 16.149 ( -3.611 1.152 5.650) 6.803 16.487 ( -3.025 -3.095 1.376) 4.542 17.035 ( 12.689 1.781 4.457) 13.566 17.303 ( 5.380 3.028 -1.123) 6.275 17.462 ( -1.635 5.293 6.117) 8.252 17.546 ( 0.696 2.739 -1.615) 3.255 25.558 ( 0.868 -2.603 0.946) 2.902 25.580 ( 1.116 -1.804 -0.710) 2.237 25.694 ( -1.842 -1.625 0.588) 2.526 25.745 ( -2.109 -0.864 0.998) 2.488 25.856 ( -1.483 3.088 -3.595) 4.966 26.102 ( 0.674 -1.495 -4.248) 4.553 26.407 ( -0.971 -0.854 2.121) 2.484 26.488 ( 2.054 -1.016 4.906) 5.415 26.807 ( -2.534 1.106 -7.204) 7.716 27.502 ( -11.101 7.329 -7.380) 15.213 27.735 ( 4.266 -2.713 9.162) 10.465 28.013 ( -1.505 -7.020 7.508) 10.388 28.257 ( -1.543 -7.349 -1.140) 7.595 28.325 ( -2.086 -8.529 -1.509) 8.909 29.217 ( 4.750 0.753 9.985) 11.083 30.050 ( 13.137 18.069 -12.644) 25.670 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.56 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -11.742 -6.299 9.351) 16.279 2.444 ( 4.267 -7.381 -6.282) 10.590 2.564 ( 1.843 -16.011 -0.748) 16.134 2.772 ( 2.491 -5.867 4.157) 7.610 2.861 ( 5.597 -9.875 -9.504) 14.805 3.224 ( -3.190 -4.398 0.780) 5.489 3.336 ( 2.731 -7.467 -7.549) 10.963 3.386 ( -5.275 -6.423 -7.284) 11.052 3.548 ( -3.173 0.386 -4.583) 5.587 3.774 ( 2.436 -6.117 5.340) 8.477 3.838 ( -2.287 -8.308 -0.897) 8.664 3.955 ( -1.721 -6.225 -1.633) 6.662 4.134 ( 0.245 7.849 -4.837) 9.223 4.180 ( -0.833 -3.123 7.085) 7.787 4.239 ( 3.190 -0.747 8.125) 8.761 4.555 ( -6.406 2.296 3.805) 7.797 4.823 ( -1.962 -2.303 1.179) 3.247 4.907 ( -2.518 -1.045 -0.458) 2.764 5.265 ( 6.377 -1.292 -3.628) 7.450 5.354 ( 1.438 -3.834 3.573) 5.434 5.454 ( -1.234 -1.323 5.768) 6.045 5.664 ( -0.897 13.517 -6.576) 15.059 5.798 ( -1.534 -4.562 -5.540) 7.338 5.812 ( 14.042 -7.392 -18.026) 24.016 6.008 ( -4.034 -1.227 0.050) 4.216 6.134 ( -0.733 5.408 6.158) 8.228 6.308 ( 4.805 -5.377 1.966) 7.475 6.332 ( -0.504 0.984 -5.032) 5.152 6.350 ( -3.577 -2.548 -0.815) 4.467 6.582 ( 6.468 -0.036 2.107) 6.802 6.680 ( 1.319 -4.601 -2.642) 5.467 6.777 ( -3.270 6.843 7.884) 10.939 6.940 ( -2.769 -4.294 0.197) 5.113 7.105 ( -4.728 -1.031 3.929) 6.233 7.219 ( 2.753 3.532 10.958) 11.838 7.515 ( 4.007 -0.528 1.725) 4.394 7.781 ( 1.679 -1.604 -3.489) 4.191 7.970 ( -1.674 -1.686 -0.629) 2.458 8.060 ( -7.508 4.515 1.833) 8.951 8.136 ( -1.030 -2.076 1.222) 2.620 8.612 ( -5.806 -1.441 2.721) 6.572 8.883 ( -0.151 1.374 -3.590) 3.847 9.161 ( 5.519 -1.914 7.250) 9.310 9.233 ( -0.162 3.459 3.058) 4.620 9.326 ( -0.702 -1.683 0.124) 1.828 9.578 ( -2.092 -2.868 1.895) 4.024 9.610 ( -1.711 3.192 4.863) 6.064 10.029 ( 2.313 -5.850 -0.730) 6.333 10.079 ( 1.926 -0.458 -4.237) 4.677 10.576 ( -4.560 -2.622 -9.739) 11.069 10.690 ( 0.175 -2.932 0.898) 3.071 10.919 ( 4.294 -3.709 2.034) 6.028 11.301 ( 9.094 7.133 -3.314) 12.024 11.420 ( -1.054 -0.773 4.078) 4.282 11.436 ( 2.589 1.215 3.168) 4.268 11.530 ( -2.144 2.930 0.889) 3.738 11.611 ( -0.478 -7.284 -7.602) 10.540 11.861 ( 1.451 0.030 3.338) 3.640 11.927 ( 1.458 -1.820 -7.337) 7.699 12.167 ( 1.988 4.635 -4.820) 6.976 12.222 ( -9.565 3.908 -0.373) 10.340 12.480 ( 7.801 3.221 0.656) 8.465 12.529 ( -6.340 -4.919 -3.409) 8.719 12.939 ( -10.367 3.793 -0.984) 11.083 14.670 ( -1.378 -0.362 1.005) 1.743 14.749 ( 0.686 -1.638 -0.637) 1.887 14.923 ( -0.803 -0.312 -2.000) 2.178 15.010 ( -0.995 2.080 2.471) 3.379 15.250 ( 2.186 -4.433 3.810) 6.241 15.342 ( 3.013 2.861 -5.758) 7.100 15.473 ( 0.714 0.865 -3.091) 3.288 15.550 ( -1.931 5.995 -4.226) 7.585 15.671 ( 3.711 1.740 4.212) 5.877 15.900 ( -5.766 0.940 4.602) 7.437 16.152 ( -2.838 -0.732 7.285) 7.853 16.501 ( -0.869 -0.810 -1.875) 2.219 17.099 ( 9.908 6.146 3.832) 12.273 17.273 ( 0.041 1.648 1.536) 2.253 17.359 ( -0.764 6.619 2.597) 7.151 17.523 ( 0.280 -0.228 -3.218) 3.238 25.604 ( -0.259 -1.203 1.699) 2.097 25.626 ( 1.754 -2.669 0.474) 3.229 25.701 ( -1.731 -1.029 -1.024) 2.259 25.737 ( -2.207 0.272 -0.049) 2.225 25.797 ( -0.040 1.592 -0.622) 1.710 26.110 ( 0.920 -1.492 -5.572) 5.841 26.414 ( -2.067 -1.002 -0.339) 2.322 26.546 ( 1.551 -1.174 5.731) 6.052 26.748 ( -1.255 0.520 -6.022) 6.174 27.309 ( -7.727 3.279 -5.651) 10.119 27.855 ( 5.282 -1.981 9.456) 11.011 28.159 ( 0.995 -6.074 7.643) 9.814 28.337 ( 1.064 -4.714 -3.721) 6.099 28.480 ( -2.988 -11.520 0.799) 11.928 29.246 ( 0.047 2.972 6.195) 6.871 29.749 ( 7.497 20.210 -10.465) 23.962 ======================= Grid point 190 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -11.194 8.350 15.545) 20.897 2.530 ( 0.297 -5.028 -2.320) 5.546 2.737 ( -7.054 0.105 -5.338) 8.847 2.938 ( -0.050 -10.479 0.016) 10.479 2.963 ( 9.605 -2.312 -0.392) 9.887 3.226 ( 7.606 7.505 2.909) 11.075 3.373 ( -5.477 -4.931 -4.143) 8.454 3.505 ( 3.065 -10.819 -3.019) 11.643 3.540 ( -4.520 -3.049 -0.938) 5.533 3.833 ( 2.714 1.352 -1.181) 3.254 3.922 ( -0.503 1.960 1.760) 2.682 4.040 ( 0.989 -11.317 -1.562) 11.467 4.120 ( 4.128 -7.032 -5.556) 9.867 4.268 ( -1.592 1.179 1.340) 2.392 4.334 ( 5.954 -6.052 5.292) 10.005 4.507 ( -7.310 -1.299 1.481) 7.571 4.837 ( -3.387 3.240 -1.604) 4.954 4.876 ( -1.855 -1.391 5.056) 5.562 5.180 ( -1.271 7.640 -6.795) 10.303 5.282 ( -4.566 6.097 -7.877) 10.957 5.481 ( 0.092 2.885 1.937) 3.476 5.636 ( 6.563 -3.581 6.406) 9.846 5.706 ( -4.935 7.853 -0.512) 9.289 5.824 ( -1.208 -2.102 -4.290) 4.928 6.068 ( -1.251 3.780 4.569) 6.061 6.214 ( 15.607 -7.877 -0.859) 17.503 6.273 ( 0.043 2.174 -8.636) 8.906 6.356 ( -4.532 -2.754 0.885) 5.376 6.454 ( 1.800 -5.554 -1.514) 6.031 6.614 ( 5.515 -0.988 -2.707) 6.223 6.677 ( -3.300 0.643 0.646) 3.423 6.819 ( 4.790 -0.070 7.904) 9.242 6.958 ( -7.739 -3.158 2.747) 8.798 7.162 ( -3.245 -6.834 -0.135) 7.567 7.222 ( 6.139 6.257 8.523) 12.226 7.528 ( 3.081 2.191 -2.686) 4.638 7.810 ( -1.920 0.636 -1.147) 2.325 7.848 ( -8.814 4.970 -1.130) 10.181 8.008 ( -1.228 -2.384 -1.178) 2.929 8.164 ( -1.421 -2.461 -4.567) 5.379 8.631 ( -4.937 -4.660 3.712) 7.738 8.902 ( 4.890 -4.389 -7.260) 9.792 9.164 ( 6.204 6.272 5.442) 10.365 9.297 ( 2.560 -2.831 5.703) 6.862 9.358 ( 2.907 1.038 1.274) 3.339 9.509 ( -7.742 0.914 9.885) 12.589 9.682 ( -2.280 -3.525 1.331) 4.404 10.004 ( -0.077 3.234 -3.343) 4.651 10.181 ( 2.066 -4.666 3.273) 6.062 10.541 ( -1.495 -2.273 -9.959) 10.324 10.705 ( -0.490 2.244 2.717) 3.558 10.973 ( 0.881 0.640 -0.766) 1.332 11.235 ( 8.976 5.203 -2.070) 10.579 11.396 ( 0.781 1.560 1.986) 2.643 11.458 ( -3.303 3.258 -0.016) 4.639 11.468 ( -2.721 -1.117 0.632) 3.008 11.728 ( 4.571 -5.099 2.724) 7.370 11.856 ( -1.432 1.214 -0.969) 2.113 11.965 ( -2.041 -3.481 -7.438) 8.462 12.071 ( -3.639 1.258 -7.651) 8.565 12.102 ( -1.192 3.840 1.690) 4.361 12.280 ( 1.100 12.502 -5.822) 13.835 12.750 ( 5.932 -13.054 4.597) 15.057 12.931 ( -4.492 -7.819 2.293) 9.305 14.676 ( 0.347 0.114 0.402) 0.543 14.785 ( -1.706 -3.136 -0.706) 3.639 14.932 ( 0.172 -2.335 -1.736) 2.915 14.978 ( 0.903 1.803 0.169) 2.024 15.259 ( -1.575 4.644 -1.439) 5.111 15.374 ( -2.257 -0.589 1.518) 2.783 15.408 ( 0.310 1.469 -3.189) 3.525 15.456 ( 1.673 0.643 -2.442) 3.029 15.698 ( 6.162 1.411 4.725) 7.892 15.891 ( -5.318 -2.727 2.806) 6.602 16.187 ( -4.215 -1.568 8.677) 9.773 16.490 ( 1.226 0.440 -3.597) 3.826 17.012 ( -0.920 8.654 3.814) 9.502 17.202 ( -1.376 6.887 2.068) 7.321 17.351 ( 5.328 -1.437 -2.380) 6.010 17.515 ( 0.241 -0.680 -4.382) 4.441 25.618 ( -0.948 0.431 3.229) 3.393 25.667 ( 0.783 0.393 -0.178) 0.894 25.701 ( -0.027 -0.315 -0.156) 0.352 25.721 ( -1.194 -1.469 1.247) 2.267 25.792 ( -0.127 -0.501 0.430) 0.672 26.108 ( 0.913 -1.220 -7.143) 7.304 26.411 ( -1.553 -0.858 -1.146) 2.112 26.586 ( -0.396 -0.831 -2.371) 2.543 26.725 ( 0.609 0.157 4.285) 4.331 27.213 ( -5.823 -0.821 -5.222) 7.865 27.966 ( 3.534 -1.335 9.345) 10.080 28.310 ( 7.161 -5.223 4.646) 10.008 28.404 ( 2.228 -3.444 -1.115) 4.250 28.640 ( -3.446 -10.161 -0.266) 10.733 29.168 ( -2.162 8.105 1.543) 8.530 29.428 ( 0.813 16.100 -7.482) 17.772 ======================= Grid point 191 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -11.898 12.113 17.612) 24.464 2.538 ( -4.470 8.776 5.954) 11.509 2.606 ( 1.316 1.524 -8.666) 8.897 2.947 ( 9.083 6.747 -4.932) 12.343 3.112 ( -5.748 -2.853 6.891) 9.416 3.167 ( 11.622 7.855 4.026) 14.594 3.359 ( 0.626 2.669 -1.956) 3.367 3.491 ( -2.263 0.291 0.473) 2.330 3.740 ( 4.486 -7.364 -0.765) 8.656 3.823 ( 0.656 1.049 5.376) 5.517 3.966 ( -2.156 -4.940 1.581) 5.617 4.102 ( 2.510 1.384 -1.323) 3.157 4.235 ( -7.489 -6.181 -7.698) 12.391 4.325 ( 6.537 -7.298 -0.003) 9.797 4.434 ( -2.065 2.869 -4.322) 5.583 4.495 ( 2.455 -1.930 3.583) 4.753 4.684 ( -5.611 4.788 -6.079) 9.558 4.920 ( 0.913 6.038 -4.440) 7.550 4.965 ( -2.833 3.588 0.917) 4.662 5.172 ( -1.293 2.025 0.132) 2.406 5.445 ( -5.276 11.815 3.552) 13.418 5.552 ( 1.713 -6.831 3.686) 7.949 5.781 ( 2.364 0.814 -0.628) 2.578 5.846 ( 3.221 -4.823 0.138) 5.802 6.052 ( 0.438 -0.754 4.332) 4.419 6.174 ( -1.201 3.416 -8.262) 9.021 6.350 ( 4.514 2.750 1.350) 5.456 6.353 ( -5.463 0.474 1.309) 5.638 6.518 ( 6.820 -2.012 -4.305) 8.312 6.624 ( -4.086 -0.819 -3.955) 5.746 6.688 ( 2.306 0.616 3.699) 4.402 6.880 ( 6.432 0.179 5.235) 8.294 6.964 ( -9.565 -3.705 1.401) 10.353 7.145 ( 0.424 6.950 -0.062) 6.963 7.269 ( 11.016 -1.324 1.411) 11.185 7.467 ( -9.289 2.309 -1.712) 9.723 7.628 ( -1.307 7.124 0.885) 7.297 7.824 ( -3.617 0.124 -12.301) 12.822 8.070 ( -1.210 -5.947 1.657) 6.291 8.172 ( 0.497 -3.176 -4.000) 5.132 8.732 ( -3.681 -8.064 4.810) 10.085 8.999 ( 5.720 -4.307 -6.601) 9.739 9.149 ( 3.662 2.429 3.527) 5.635 9.274 ( 0.789 6.446 -0.762) 6.539 9.400 ( 1.408 -2.201 6.034) 6.575 9.535 ( -7.097 -1.581 4.047) 8.322 9.696 ( -1.617 -0.746 6.363) 6.607 9.945 ( 0.823 3.257 0.148) 3.363 10.242 ( -5.390 -1.840 4.189) 7.070 10.552 ( 7.261 -2.156 -9.404) 12.075 10.649 ( -0.004 5.783 5.271) 7.824 10.900 ( -2.272 5.119 -4.177) 6.987 11.268 ( 11.641 1.345 -0.629) 11.736 11.328 ( -5.831 4.917 -2.566) 8.048 11.427 ( -2.098 -0.764 1.487) 2.683 11.481 ( 1.805 -2.645 2.065) 3.810 11.797 ( -3.004 1.709 1.101) 3.627 11.847 ( 1.090 2.227 -0.447) 2.520 11.900 ( -3.504 -2.458 -0.830) 4.360 11.970 ( -2.373 5.553 -2.611) 6.579 12.074 ( 2.767 -2.091 -2.517) 4.285 12.252 ( 4.119 -8.233 -7.784) 12.055 13.003 ( -2.664 -10.100 7.850) 13.067 13.126 ( 5.009 -14.330 1.860) 15.293 14.679 ( 1.409 0.764 2.130) 2.666 14.789 ( -3.081 -0.074 -1.664) 3.502 14.973 ( 4.774 -0.784 0.165) 4.841 14.995 ( -2.525 -3.186 -0.012) 4.065 15.138 ( -5.086 4.955 -0.810) 7.147 15.256 ( -0.617 4.810 -4.260) 6.455 15.456 ( 1.447 -0.097 -0.650) 1.589 15.471 ( 2.086 -1.575 -2.177) 3.402 15.784 ( 5.597 -2.089 6.849) 9.089 15.931 ( -4.797 -5.909 0.928) 7.668 16.211 ( -6.247 -1.228 8.484) 10.607 16.472 ( 2.948 1.538 -3.953) 5.165 16.876 ( -6.329 6.596 5.100) 10.468 17.099 ( -0.367 4.987 0.388) 5.016 17.389 ( 5.171 0.294 -4.212) 6.676 17.508 ( 1.560 -0.938 -6.665) 6.909 25.599 ( -0.903 2.236 1.925) 3.086 25.640 ( 0.205 2.305 -0.575) 2.384 25.721 ( -0.462 -0.988 4.906) 5.025 25.772 ( 0.686 -2.738 2.832) 3.998 25.799 ( -0.642 -0.535 -0.414) 0.933 26.101 ( 1.587 -1.260 -7.636) 7.901 26.404 ( -0.936 0.102 -1.016) 1.386 26.535 ( -2.441 1.659 -8.149) 8.667 26.804 ( 2.799 -2.434 12.108) 12.663 27.181 ( -5.352 -3.312 -5.907) 8.631 28.028 ( -1.588 0.001 7.934) 8.091 28.403 ( 5.672 0.310 -8.863) 10.527 28.568 ( 9.245 -8.738 10.291) 16.362 28.751 ( 0.041 -5.834 -1.334) 5.985 28.979 ( -1.232 11.810 0.741) 11.898 29.165 ( -6.192 9.824 -6.225) 13.176 ======================= Grid point 192 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -8.313 13.808 19.028) 24.936 2.332 ( 0.827 15.031 7.818) 16.963 2.541 ( 0.664 6.657 -4.222) 7.911 2.827 ( 6.173 13.046 2.492) 14.647 3.032 ( -0.215 8.233 -2.487) 8.603 3.137 ( 8.311 7.444 -1.874) 11.313 3.282 ( 5.209 10.412 5.631) 12.932 3.542 ( 0.031 -3.448 -3.795) 5.127 3.719 ( -7.436 4.259 6.728) 10.895 3.850 ( -0.376 1.141 6.719) 6.826 4.004 ( 5.470 9.468 1.699) 11.066 4.116 ( -0.321 -1.691 -1.605) 2.353 4.185 ( -11.388 6.880 -3.521) 13.763 4.258 ( -4.094 -5.125 -3.696) 7.529 4.355 ( -7.168 11.271 0.271) 13.360 4.490 ( 11.979 5.016 -2.732) 13.271 4.661 ( 3.805 -0.532 -2.253) 4.454 4.767 ( -0.849 -1.332 -10.309) 10.429 5.033 ( 0.804 -4.821 4.273) 6.492 5.190 ( 0.575 -4.747 -1.280) 4.950 5.305 ( -0.492 4.215 8.461) 9.465 5.700 ( -0.906 4.873 -6.088) 7.851 5.740 ( 0.987 -10.238 1.960) 10.471 5.974 ( 0.453 -5.431 -4.089) 6.813 6.083 ( -3.280 -2.555 -0.141) 4.160 6.156 ( 4.898 -3.478 1.445) 6.179 6.249 ( -3.515 5.851 -0.213) 6.829 6.309 ( -0.878 3.366 2.428) 4.242 6.505 ( -0.698 3.641 0.159) 3.711 6.583 ( 1.156 2.830 -5.104) 5.949 6.755 ( 4.013 -4.886 2.787) 6.910 6.894 ( 4.400 5.837 -1.643) 7.492 6.916 ( -9.768 2.110 0.699) 10.018 7.093 ( 2.727 -0.596 4.564) 5.350 7.333 ( -9.162 -1.768 -4.823) 10.504 7.417 ( 12.978 -1.513 2.574) 13.317 7.569 ( -0.983 2.302 0.136) 2.507 7.666 ( -3.796 4.315 -12.510) 13.767 8.155 ( -1.940 -3.226 1.796) 4.171 8.237 ( 0.798 -3.816 -1.298) 4.109 8.815 ( -3.212 -0.482 3.538) 4.803 8.996 ( 2.428 4.580 -5.003) 7.204 9.148 ( -5.556 -1.727 2.058) 6.172 9.252 ( 1.380 -2.684 0.967) 3.169 9.425 ( -2.141 5.435 1.897) 6.142 9.498 ( 1.748 -3.581 -2.717) 4.823 9.763 ( -4.561 -2.316 9.785) 11.041 9.899 ( 1.058 3.209 2.051) 3.953 10.220 ( -6.932 -0.032 3.218) 7.642 10.584 ( 1.441 6.025 6.785) 9.188 10.612 ( 12.376 0.100 -7.076) 14.256 10.763 ( -0.901 6.060 -5.435) 8.190 11.167 ( -9.015 4.875 -3.769) 10.920 11.323 ( 8.189 0.914 -1.186) 8.324 11.419 ( 0.227 1.970 4.362) 4.791 11.600 ( 5.733 -4.928 -2.973) 8.124 11.750 ( -3.939 -0.592 -0.130) 3.986 11.793 ( 0.096 1.612 -0.605) 1.724 11.841 ( -3.247 1.110 2.271) 4.115 12.000 ( 3.391 -2.204 -3.506) 5.353 12.202 ( 2.465 -9.394 5.039) 10.941 12.409 ( 3.237 -11.195 -9.157) 14.820 13.143 ( -8.357 -7.159 9.701) 14.670 13.412 ( 1.344 -14.578 -1.810) 14.751 14.707 ( 0.701 -1.794 4.414) 4.816 14.757 ( -0.622 0.714 -0.153) 0.960 14.939 ( -8.121 4.998 2.649) 9.897 14.992 ( 1.779 3.050 1.731) 3.932 15.105 ( -0.800 -4.192 -6.018) 7.378 15.203 ( 6.637 0.747 -3.811) 7.690 15.466 ( -0.878 -1.250 -2.018) 2.531 15.482 ( 3.382 0.473 -1.213) 3.624 15.841 ( -4.757 -0.174 5.208) 7.056 16.039 ( 2.339 -6.517 -2.066) 7.226 16.239 ( -5.299 -4.138 8.283) 10.668 16.453 ( 3.751 1.260 -2.473) 4.666 16.749 ( -10.037 4.742 7.078) 13.166 17.040 ( 2.304 3.595 1.895) 4.672 17.383 ( 4.623 1.906 -5.207) 7.219 17.507 ( 3.946 -0.833 -8.607) 9.505 25.561 ( -0.502 2.507 1.345) 2.889 25.600 ( 0.926 2.466 -0.664) 2.717 25.746 ( -1.767 0.062 3.688) 4.090 25.786 ( -1.045 0.888 0.286) 1.401 25.857 ( 0.478 -3.885 5.793) 6.992 26.107 ( 3.524 -1.363 -6.404) 7.436 26.379 ( -1.290 1.380 -1.054) 2.163 26.439 ( -2.141 2.762 -6.398) 7.290 26.951 ( 3.766 -4.523 13.403) 14.638 27.169 ( -5.548 -3.660 -6.725) 9.455 28.025 ( -5.270 0.999 6.278) 8.258 28.343 ( 1.446 4.201 -10.222) 11.146 28.672 ( -7.396 1.655 1.243) 7.680 28.774 ( -4.566 13.098 0.344) 13.876 28.911 ( 0.995 0.028 0.779) 1.264 29.075 ( 19.576 -11.429 -1.049) 22.692 ======================= Grid point 196 (95/140) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 2.436 -0.000 -15.091) 15.286 1.739 ( -3.001 0.000 -11.868) 12.242 2.071 ( 2.486 -0.000 -28.477) 28.585 2.420 ( 13.170 -0.000 7.026) 14.927 2.738 ( -4.668 0.000 10.036) 11.068 2.760 ( 6.321 -0.000 9.212) 11.172 3.019 ( 6.884 -0.000 3.828) 7.877 3.123 ( -0.259 0.000 -8.823) 8.827 3.439 ( -19.797 0.000 -4.130) 20.224 3.670 ( -1.247 0.000 1.308) 1.807 3.845 ( 17.695 -0.000 -3.129) 17.970 3.907 ( -7.226 0.000 -9.708) 12.102 3.961 ( -0.386 0.000 15.259) 15.263 4.319 ( 4.492 -0.000 15.790) 16.417 4.425 ( -13.397 0.000 -0.842) 13.423 4.548 ( 2.553 -0.000 -14.007) 14.238 4.601 ( 1.016 -0.000 -6.007) 6.092 4.781 ( 1.602 -0.000 5.752) 5.971 5.082 ( 8.995 -0.000 9.398) 13.009 5.160 ( -7.922 0.000 0.922) 7.975 5.498 ( 12.131 -0.000 -4.757) 13.031 5.679 ( -6.528 0.000 -11.188) 12.953 5.708 ( -1.985 0.000 -9.309) 9.518 5.840 ( 0.113 -0.000 4.044) 4.045 6.023 ( -1.762 0.000 -4.351) 4.695 6.217 ( -9.922 0.000 -1.430) 10.024 6.303 ( -3.198 0.000 0.330) 3.215 6.311 ( 2.502 -0.000 10.647) 10.937 6.574 ( -3.634 0.000 1.311) 3.864 6.664 ( -0.767 0.000 0.359) 0.847 6.699 ( 7.916 -0.000 -0.924) 7.970 6.828 ( 2.555 -0.000 -5.931) 6.458 7.048 ( 4.875 -0.000 9.890) 11.026 7.214 ( -3.306 0.000 -2.318) 4.037 7.322 ( 1.869 -0.000 8.133) 8.345 7.586 ( -8.016 0.000 3.785) 8.865 7.636 ( -9.682 0.000 -1.187) 9.755 7.753 ( 7.171 -0.000 -1.703) 7.370 8.012 ( 1.801 -0.000 4.694) 5.028 8.258 ( 5.721 -0.000 6.238) 8.464 8.641 ( -1.855 0.000 -4.264) 4.650 8.809 ( -1.757 0.000 10.901) 11.042 9.036 ( -10.295 0.000 1.561) 10.412 9.170 ( -1.472 0.000 6.123) 6.297 9.460 ( -2.746 0.000 7.240) 7.743 9.572 ( 4.019 -0.000 -2.201) 4.583 9.614 ( 4.779 -0.000 -10.220) 11.282 9.975 ( 1.134 -0.000 -2.447) 2.697 10.003 ( -4.993 0.000 -6.755) 8.400 10.324 ( -5.762 0.000 -15.524) 16.559 10.582 ( 2.472 -0.000 3.201) 4.045 10.662 ( 7.716 -0.000 -4.626) 8.996 11.104 ( 5.357 -0.000 12.065) 13.201 11.392 ( -0.146 0.000 -3.229) 3.232 11.491 ( 7.994 -0.000 -6.018) 10.006 11.567 ( 0.498 -0.000 3.663) 3.697 11.678 ( -3.760 0.000 -2.481) 4.505 11.856 ( -2.425 0.000 4.338) 4.970 11.905 ( 1.307 -0.000 -3.369) 3.614 12.219 ( -6.771 0.000 -4.838) 8.322 12.374 ( -11.369 0.000 -10.599) 15.544 12.406 ( 0.496 -0.000 -3.324) 3.361 12.640 ( -9.415 0.000 4.482) 10.428 13.362 ( -4.260 0.000 -1.526) 4.525 14.696 ( 2.364 -0.000 -2.266) 3.274 14.800 ( -0.397 0.000 3.716) 3.737 14.869 ( -10.985 0.000 5.662) 12.359 15.078 ( 2.105 -0.000 1.053) 2.354 15.328 ( 9.329 -0.000 -10.747) 14.231 15.444 ( 1.659 -0.000 4.850) 5.126 15.488 ( -7.731 0.000 -5.710) 9.612 15.549 ( 6.652 -0.000 0.548) 6.674 15.819 ( 3.965 -0.000 1.128) 4.122 15.962 ( -2.693 0.000 4.990) 5.670 16.224 ( -0.670 0.000 1.695) 1.823 16.347 ( -5.999 0.000 5.593) 8.202 17.063 ( 6.290 -0.000 4.273) 7.604 17.377 ( 14.174 -0.000 -3.805) 14.676 17.518 ( 3.538 -0.000 -1.654) 3.906 17.663 ( -5.189 0.000 10.824) 12.003 25.506 ( 0.674 -0.000 0.275) 0.728 25.542 ( 1.732 -0.000 -1.462) 2.266 25.661 ( -1.836 0.000 1.928) 2.663 25.720 ( -1.879 0.000 0.717) 2.011 25.916 ( -2.887 0.000 -3.835) 4.800 26.074 ( 0.164 -0.000 -2.949) 2.953 26.420 ( 0.363 -0.000 1.237) 1.289 26.426 ( 0.646 -0.000 2.223) 2.315 26.857 ( -3.641 0.000 -3.121) 4.795 27.518 ( -9.586 0.000 -13.427) 16.498 27.819 ( -5.989 0.000 15.755) 16.855 27.899 ( 3.741 -0.000 2.158) 4.319 28.049 ( -2.272 0.000 2.168) 3.140 28.178 ( 0.918 -0.000 -2.037) 2.234 29.240 ( 6.859 -0.000 14.883) 16.388 30.388 ( 15.489 -0.000 -16.966) 22.973 ======================= Grid point 197 (96/140) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.660 -23.765 -6.332) 24.651 1.971 ( 2.833 -28.470 -12.605) 31.264 2.072 ( 6.708 -8.957 -18.685) 21.779 2.537 ( -3.107 -7.608 2.725) 8.658 2.808 ( 12.981 3.122 9.521) 16.398 2.887 ( -2.803 -10.065 1.330) 10.532 3.059 ( 3.247 -2.750 -4.395) 6.117 3.173 ( -10.027 -2.353 0.135) 10.300 3.326 ( -9.941 -10.046 0.680) 14.150 3.662 ( -0.938 -2.063 -3.417) 4.100 3.751 ( -2.689 2.399 -11.416) 11.971 3.962 ( 13.388 5.230 3.960) 14.908 4.075 ( -2.177 -3.537 12.606) 13.272 4.241 ( -17.243 3.606 -0.187) 17.617 4.456 ( 8.836 5.990 -3.280) 11.167 4.500 ( -3.388 -10.752 0.830) 11.304 4.664 ( 1.336 -3.129 2.674) 4.328 4.849 ( 3.805 -1.527 4.516) 6.100 5.097 ( 2.827 0.092 3.644) 4.613 5.259 ( 3.056 -6.968 -0.943) 7.667 5.500 ( 1.986 4.685 -1.560) 5.322 5.570 ( 0.531 -0.947 -9.984) 10.043 5.640 ( -2.006 -1.316 -9.597) 9.893 5.918 ( 1.364 -0.299 3.173) 3.467 6.023 ( -3.848 -4.276 -4.624) 7.380 6.131 ( -9.769 -2.044 -4.459) 10.931 6.253 ( -4.455 1.124 -0.289) 4.604 6.364 ( 5.664 3.470 4.082) 7.796 6.487 ( -3.860 6.066 3.555) 8.021 6.625 ( 0.639 2.543 0.560) 2.681 6.729 ( 7.482 5.906 1.478) 9.646 6.840 ( 4.075 -1.798 -1.808) 4.807 7.031 ( -1.051 7.278 -3.784) 8.270 7.160 ( -2.040 0.835 4.368) 4.893 7.387 ( 4.953 5.660 13.119) 15.122 7.455 ( -5.529 -0.956 5.494) 7.852 7.717 ( -2.958 -5.874 -2.928) 7.199 7.829 ( 3.027 -4.219 0.611) 5.229 8.049 ( -0.571 -0.887 3.046) 3.223 8.252 ( 1.705 6.319 6.600) 9.295 8.627 ( -1.711 0.212 0.114) 1.728 8.916 ( -1.126 -7.472 10.541) 12.969 8.955 ( -7.378 1.097 -0.707) 7.493 9.222 ( -3.750 -3.836 5.788) 7.892 9.441 ( -4.190 2.554 2.513) 5.513 9.470 ( 4.485 4.544 -0.030) 6.385 9.735 ( 1.140 -5.738 -6.729) 8.916 9.871 ( 2.489 4.162 -1.971) 5.235 10.026 ( 1.260 -3.189 -6.719) 7.544 10.320 ( -4.189 -11.280 -16.030) 20.044 10.601 ( 1.180 -0.181 1.685) 2.065 10.757 ( 6.846 -5.383 -2.162) 8.973 11.228 ( 5.476 -3.607 10.763) 12.604 11.392 ( -0.398 -1.600 -2.880) 3.319 11.508 ( 6.939 2.250 -3.305) 8.008 11.551 ( -3.202 1.720 -2.316) 4.310 11.645 ( -0.322 1.440 0.963) 1.762 11.870 ( -0.658 -0.177 6.768) 6.802 11.906 ( 1.705 -0.951 -5.390) 5.733 12.158 ( -6.120 -2.105 -8.341) 10.558 12.236 ( -13.415 -0.909 -7.877) 15.583 12.348 ( -7.961 -3.641 -7.997) 11.857 12.636 ( 6.230 5.510 8.396) 11.818 13.254 ( -4.968 7.427 -3.558) 9.618 14.714 ( 3.024 -0.533 -0.700) 3.149 14.759 ( -7.473 4.358 4.432) 9.720 14.859 ( 0.786 -2.666 3.629) 4.571 15.116 ( 1.758 -0.761 0.128) 1.920 15.257 ( -1.195 7.287 -3.268) 8.075 15.391 ( 3.626 0.218 -7.722) 8.533 15.492 ( -1.004 0.094 0.740) 1.251 15.617 ( 4.311 -1.064 1.861) 4.814 15.805 ( 3.367 5.099 0.530) 6.134 15.955 ( -4.624 0.751 4.074) 6.209 16.191 ( -0.596 2.786 4.014) 4.923 16.393 ( -4.282 -5.271 2.378) 7.196 17.145 ( 9.272 -0.643 3.537) 9.944 17.414 ( 4.950 3.087 -0.728) 5.879 17.533 ( 7.035 2.938 -1.507) 7.771 17.620 ( -7.610 4.375 9.012) 12.581 25.530 ( 0.918 -1.849 0.627) 2.157 25.560 ( 1.622 -1.294 -1.147) 2.371 25.661 ( -2.246 -0.832 1.096) 2.634 25.715 ( -2.286 -0.910 0.371) 2.488 25.864 ( -2.190 1.456 -3.149) 4.103 26.068 ( 0.638 -0.718 -3.953) 4.068 26.405 ( -0.987 0.646 0.678) 1.361 26.472 ( -0.259 -2.846 1.332) 3.153 26.799 ( -2.206 2.240 -2.177) 3.824 27.376 ( -10.005 -1.069 -17.006) 19.760 27.848 ( 0.450 1.651 14.560) 14.660 27.964 ( 3.015 -2.535 8.673) 9.526 28.129 ( 0.442 -7.079 1.689) 7.291 28.207 ( 0.122 -3.788 -2.609) 4.601 29.335 ( 2.116 2.170 15.730) 16.019 30.322 ( 12.503 10.839 -16.955) 23.691 ======================= Grid point 198 (97/140) ======================= q-point: ( 0.56 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -3.557 -29.530 -2.444) 29.844 2.243 ( 2.671 -13.020 -3.179) 13.666 2.379 ( 7.213 -20.025 -12.616) 24.742 2.686 ( -0.459 -10.714 7.302) 12.974 2.807 ( -2.346 5.619 2.058) 6.428 3.088 ( -12.719 -14.324 -8.342) 20.894 3.121 ( 2.317 -6.983 4.085) 8.416 3.177 ( 2.765 -8.965 -1.861) 9.565 3.500 ( 0.179 -8.916 0.832) 8.956 3.625 ( -6.142 -1.885 -9.570) 11.526 3.785 ( 6.725 -7.143 -3.967) 10.582 3.870 ( -1.872 6.807 -1.257) 7.171 4.150 ( -4.568 -1.209 3.045) 5.622 4.180 ( 2.196 -2.778 7.936) 8.690 4.392 ( 6.839 8.198 1.027) 10.725 4.551 ( -8.513 -0.834 -2.084) 8.804 4.767 ( 0.010 -4.812 6.909) 8.420 4.886 ( -1.120 0.602 4.637) 4.808 5.222 ( 7.695 -6.236 -3.764) 10.596 5.333 ( 0.570 -1.563 -3.028) 3.454 5.458 ( -1.359 -1.238 7.493) 7.715 5.621 ( -6.659 -8.103 -5.149) 11.683 5.702 ( 13.759 -7.751 -10.455) 18.940 5.808 ( -4.512 9.559 -5.037) 11.709 5.948 ( -7.823 0.972 -5.914) 9.855 6.168 ( -1.787 -5.947 -3.806) 7.283 6.207 ( -3.385 0.237 -0.716) 3.468 6.322 ( 2.111 1.920 -5.651) 6.330 6.425 ( 1.248 5.578 9.326) 10.938 6.629 ( 3.163 0.045 2.905) 4.295 6.715 ( 8.834 3.442 2.339) 9.765 6.872 ( -0.407 0.839 -3.460) 3.584 6.893 ( -1.569 4.566 4.784) 6.797 7.135 ( -0.730 2.742 3.198) 4.275 7.360 ( 0.648 3.738 11.573) 12.179 7.528 ( 1.041 -2.146 4.303) 4.920 7.764 ( 3.699 -1.293 -1.854) 4.334 7.903 ( -1.611 -3.673 -0.313) 4.023 8.052 ( -3.566 0.314 0.971) 3.709 8.163 ( -4.519 5.716 3.676) 8.161 8.606 ( -0.941 1.690 3.200) 3.739 8.872 ( -3.944 1.016 -3.796) 5.568 9.117 ( 1.734 -8.490 10.665) 13.742 9.265 ( -4.344 -1.703 5.164) 6.960 9.388 ( 4.762 4.205 1.150) 6.456 9.488 ( -1.992 -3.564 3.367) 5.292 9.692 ( -3.662 3.452 -0.926) 5.117 9.953 ( 5.309 -6.095 1.333) 8.192 10.032 ( 0.283 -1.959 -9.355) 9.563 10.406 ( -0.301 -8.485 -14.194) 16.540 10.643 ( -0.330 -3.102 2.859) 4.231 10.886 ( 5.054 -5.193 -2.406) 7.635 11.372 ( -0.764 -2.177 -2.500) 3.402 11.422 ( 4.702 -4.232 1.184) 6.436 11.469 ( -5.571 1.425 -1.088) 5.853 11.508 ( 6.137 2.035 3.107) 7.174 11.616 ( 2.001 3.979 2.348) 5.034 11.880 ( -0.197 0.259 -3.602) 3.616 11.906 ( 1.831 0.855 -1.786) 2.697 12.095 ( -8.525 -0.228 -7.825) 11.574 12.171 ( -8.403 -6.661 -1.942) 10.897 12.374 ( -2.575 -7.709 -5.697) 9.925 12.613 ( 8.455 7.335 5.815) 12.613 13.017 ( -6.394 12.489 -4.415) 14.709 14.672 ( -4.789 2.220 3.735) 6.466 14.747 ( 2.752 -0.535 0.350) 2.826 14.921 ( 3.150 -0.931 -0.803) 3.381 15.051 ( -2.312 5.572 -0.677) 6.070 15.212 ( -0.812 -3.045 1.120) 3.344 15.383 ( 4.407 1.159 -6.167) 7.668 15.469 ( -0.921 1.205 -0.633) 1.643 15.617 ( 0.454 4.858 -2.743) 5.597 15.759 ( 2.308 2.590 5.542) 6.538 15.913 ( -3.069 2.318 2.686) 4.691 16.178 ( -0.665 1.332 6.092) 6.271 16.440 ( -3.003 -3.358 -1.482) 4.743 17.252 ( 8.931 -0.997 3.137) 9.518 17.343 ( -3.743 7.376 4.887) 9.607 17.504 ( 4.804 5.283 -0.893) 7.196 17.524 ( -1.946 4.663 1.563) 5.289 25.581 ( 0.704 -2.604 1.223) 2.962 25.597 ( 1.392 -2.217 -0.103) 2.620 25.663 ( -2.237 -1.206 0.104) 2.543 25.713 ( -2.378 -0.792 0.061) 2.507 25.816 ( -0.979 1.397 -0.976) 1.965 26.065 ( 1.284 -1.065 -6.633) 6.840 26.392 ( -1.368 -0.082 0.036) 1.371 26.519 ( -1.462 -2.956 -0.653) 3.362 26.751 ( -0.412 1.548 1.547) 2.227 27.242 ( -6.758 0.656 -11.937) 13.733 27.919 ( 2.167 -0.768 11.820) 12.041 28.108 ( 2.623 -6.486 8.926) 11.341 28.252 ( 3.315 -4.921 -3.760) 7.024 28.295 ( -1.349 -9.049 1.555) 9.280 29.348 ( -1.840 4.710 12.465) 13.452 30.073 ( 8.022 18.483 -15.559) 25.457 ======================= Grid point 199 (98/140) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -8.766 -12.087 5.764) 16.005 2.481 ( -5.617 -9.399 -1.899) 11.113 2.576 ( 2.799 -1.612 4.008) 5.148 2.743 ( -2.957 -10.907 -7.730) 13.691 2.971 ( 10.513 -10.064 7.503) 16.374 3.118 ( -11.776 -13.228 -9.211) 19.963 3.328 ( 2.117 -6.391 -3.458) 7.568 3.364 ( 9.871 -6.465 4.708) 12.704 3.472 ( -2.087 1.189 -0.351) 2.428 3.746 ( -3.255 -9.975 -5.158) 11.692 3.816 ( 0.692 -7.236 -1.597) 7.442 3.954 ( 4.269 -8.566 -7.471) 12.142 4.098 ( 1.563 7.058 1.631) 7.411 4.289 ( -2.094 0.269 -0.058) 2.112 4.342 ( 6.915 -0.222 4.490) 8.247 4.474 ( -4.755 1.016 2.287) 5.373 4.859 ( -1.474 -1.175 6.834) 7.089 4.874 ( -0.403 0.694 4.329) 4.402 5.234 ( 0.016 4.386 -10.083) 10.996 5.291 ( -1.392 1.939 -7.336) 7.715 5.545 ( -4.229 6.003 -2.540) 7.770 5.649 ( 2.064 -4.939 6.132) 8.140 5.677 ( -7.986 -6.096 2.443) 10.339 5.756 ( -2.619 0.186 -3.731) 4.562 6.026 ( -3.138 -7.065 0.756) 7.768 6.176 ( 11.782 -3.792 -4.887) 13.307 6.263 ( -7.023 -6.924 -4.307) 10.762 6.303 ( 7.879 0.605 -6.771) 10.407 6.398 ( 1.512 2.427 6.597) 7.190 6.658 ( 4.073 2.129 -2.020) 5.020 6.705 ( 2.716 2.668 -1.506) 4.094 6.814 ( -6.995 -1.530 2.578) 7.610 6.934 ( 3.054 -1.092 7.607) 8.269 7.117 ( 1.987 1.367 3.867) 4.557 7.392 ( 5.543 2.420 9.439) 11.210 7.548 ( -2.334 0.148 -1.062) 2.569 7.796 ( 4.352 0.691 -0.858) 4.489 7.895 ( -9.125 4.551 1.788) 10.353 7.968 ( -3.246 1.175 0.523) 3.491 8.099 ( -1.079 -0.902 -4.070) 4.306 8.593 ( -0.952 0.748 4.105) 4.279 8.845 ( 2.747 -1.799 -7.267) 7.974 9.265 ( -1.055 -0.234 5.541) 5.645 9.315 ( -0.297 -5.498 11.249) 12.524 9.384 ( 4.207 2.373 5.113) 7.033 9.530 ( -4.246 0.687 -0.430) 4.323 9.630 ( -1.479 -0.629 3.930) 4.246 10.000 ( 1.166 -0.326 -8.670) 8.754 10.097 ( -4.301 -6.668 3.875) 8.831 10.458 ( 6.735 -3.617 -11.715) 13.989 10.708 ( -1.530 -2.733 4.212) 5.249 10.965 ( 2.892 -2.064 -4.474) 5.713 11.329 ( -2.185 1.385 -2.181) 3.384 11.417 ( -4.039 -0.768 -2.944) 5.056 11.457 ( 5.381 4.280 2.738) 7.400 11.550 ( 1.258 5.532 3.136) 6.482 11.643 ( 0.498 -6.442 2.540) 6.943 11.863 ( 0.314 -2.902 -8.817) 9.288 11.874 ( -0.788 2.058 -0.941) 2.396 12.023 ( -0.689 -0.356 -4.391) 4.459 12.195 ( -3.498 1.668 2.892) 4.835 12.421 ( 1.262 3.173 -6.178) 7.059 12.650 ( 6.329 -3.925 3.561) 8.255 12.796 ( -5.449 0.826 -2.353) 5.992 14.650 ( -3.524 -1.607 2.043) 4.379 14.767 ( 1.761 0.514 0.176) 1.843 14.908 ( 1.212 1.657 -2.006) 2.871 15.003 ( 1.046 0.199 -1.795) 2.087 15.278 ( -2.734 -3.570 2.894) 5.347 15.356 ( 2.843 2.503 -1.317) 4.010 15.448 ( 0.478 -0.333 -3.121) 3.175 15.480 ( -2.281 7.235 -2.993) 8.155 15.783 ( 1.657 0.666 5.672) 5.947 15.869 ( 0.095 2.422 1.086) 2.656 16.193 ( -2.109 0.072 8.204) 8.471 16.453 ( -1.469 -2.235 -3.934) 4.757 17.176 ( -6.899 10.020 6.665) 13.871 17.303 ( -1.109 3.195 3.937) 5.190 17.426 ( 9.923 6.318 -2.224) 11.972 17.490 ( 1.030 -0.258 -4.204) 4.336 25.628 ( 0.001 -0.992 3.799) 3.927 25.654 ( 0.496 -3.455 0.271) 3.501 25.668 ( -0.642 -1.097 -0.628) 1.418 25.704 ( -2.091 -0.208 0.197) 2.110 25.794 ( -0.540 0.527 0.689) 1.021 26.056 ( 2.147 -1.060 -9.408) 9.708 26.393 ( -0.278 -0.587 1.009) 1.200 26.529 ( -2.835 -1.769 -5.033) 6.042 26.766 ( 1.100 -0.133 8.322) 8.395 27.142 ( -4.261 0.296 -8.278) 9.315 28.001 ( -0.491 -1.549 9.666) 9.801 28.286 ( 6.216 -6.311 3.600) 9.562 28.343 ( 3.133 -5.352 -1.207) 6.318 28.459 ( -0.093 -10.104 0.653) 10.126 29.276 ( -4.394 6.832 7.690) 11.186 29.713 ( 2.634 20.673 -12.447) 24.274 ======================= Grid point 200 (99/140) ======================= q-point: (-0.22 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -10.590 6.486 16.698) 20.809 2.520 ( -0.380 -7.003 0.425) 7.026 2.589 ( -6.036 -0.737 -4.048) 7.305 2.914 ( 2.245 -8.803 -5.140) 10.438 3.141 ( 7.902 0.795 -1.789) 8.141 3.253 ( -0.233 -11.299 -5.361) 12.509 3.388 ( 5.561 3.630 5.246) 8.463 3.479 ( -0.653 -2.863 1.326) 3.222 3.599 ( 3.801 -10.783 9.072) 14.595 3.819 ( -2.719 -5.991 -1.325) 6.712 3.923 ( 0.205 -0.224 -4.140) 4.152 4.049 ( -0.715 -6.263 -11.792) 13.371 4.071 ( -0.382 1.726 3.941) 4.319 4.215 ( 2.225 -6.874 -5.802) 9.266 4.422 ( -2.655 1.890 -1.503) 3.589 4.514 ( 5.531 -4.119 4.728) 8.362 4.785 ( 0.620 8.661 4.696) 9.871 4.955 ( 0.511 -2.589 7.812) 8.246 5.050 ( 0.625 9.187 -11.329) 14.599 5.216 ( 0.351 3.328 -2.295) 4.057 5.440 ( -9.682 -0.917 1.366) 9.821 5.585 ( -1.678 3.047 -3.705) 5.081 5.734 ( -7.438 -1.880 -1.915) 7.907 5.854 ( 5.470 -4.069 7.694) 10.280 6.056 ( -1.878 -1.347 3.731) 4.389 6.184 ( -3.399 2.796 -2.277) 4.956 6.301 ( -0.969 -4.143 -6.339) 7.635 6.402 ( 0.692 1.636 3.018) 3.502 6.486 ( 12.775 -7.803 -2.582) 15.191 6.561 ( -3.116 3.233 -6.248) 7.694 6.753 ( 1.590 0.486 7.692) 7.870 6.811 ( -6.694 -5.024 -2.883) 8.853 7.001 ( 6.566 1.549 6.545) 9.399 7.154 ( 3.060 -1.011 -0.636) 3.285 7.411 ( 1.502 4.437 3.398) 5.787 7.486 ( 0.040 3.595 -1.155) 3.776 7.673 ( -11.327 6.130 -1.109) 12.928 7.833 ( 6.031 3.037 1.075) 6.837 7.990 ( -0.388 -3.379 1.175) 3.598 8.101 ( 0.510 -2.530 -5.259) 5.858 8.627 ( -1.239 -3.706 4.852) 6.230 8.901 ( 5.647 -5.544 -8.760) 11.805 9.255 ( -1.211 3.429 4.706) 5.948 9.367 ( -2.847 5.612 -4.452) 7.709 9.420 ( 0.621 -0.823 7.619) 7.689 9.475 ( -5.128 -2.118 9.777) 11.241 9.689 ( -0.063 -2.459 4.994) 5.567 9.973 ( 1.998 0.554 -5.558) 5.932 10.142 ( -9.883 -4.482 1.792) 10.998 10.546 ( 12.630 -3.202 -7.107) 14.842 10.732 ( -1.694 1.138 5.288) 5.669 10.936 ( -0.379 3.243 -5.961) 6.796 11.325 ( -4.430 0.448 -2.557) 5.135 11.346 ( -2.050 0.893 -0.685) 2.338 11.420 ( 2.854 4.681 1.331) 5.642 11.519 ( 4.707 1.063 2.751) 5.555 11.734 ( -4.555 -7.500 -1.824) 8.962 11.826 ( -2.752 1.517 1.351) 3.421 11.891 ( 3.760 0.427 -1.944) 4.255 12.048 ( 2.455 -1.322 -4.649) 5.421 12.095 ( -0.350 7.149 2.026) 7.438 12.254 ( 4.791 8.529 -6.361) 11.669 12.822 ( -3.872 -11.253 3.338) 12.359 12.922 ( 2.787 -13.216 -0.123) 13.507 14.688 ( -0.460 -3.741 1.143) 3.938 14.757 ( -0.118 1.306 -0.483) 1.398 14.906 ( -1.986 -2.093 -0.886) 3.018 15.008 ( 4.405 0.511 -2.193) 4.947 15.232 ( -2.486 6.254 3.684) 7.672 15.323 ( -1.536 5.558 -2.396) 6.244 15.409 ( 0.091 -3.565 -0.970) 3.696 15.461 ( 1.995 -1.184 -2.044) 3.092 15.813 ( -4.781 -3.423 0.696) 5.921 15.858 ( 5.991 2.159 3.560) 7.296 16.208 ( -4.663 0.471 9.474) 10.570 16.461 ( 0.344 -1.798 -4.543) 4.898 16.989 ( -7.387 9.241 6.063) 13.294 17.200 ( -1.523 6.772 2.143) 7.264 17.421 ( 5.722 1.354 -5.314) 7.926 17.493 ( 4.119 0.173 -3.980) 5.730 25.635 ( -0.954 1.301 2.652) 3.104 25.667 ( -0.285 1.215 -0.391) 1.308 25.713 ( -0.667 -2.154 2.963) 3.724 25.726 ( -0.037 -3.826 1.305) 4.043 25.790 ( -0.989 -0.042 1.093) 1.475 26.050 ( 3.839 -1.399 -9.949) 10.755 26.409 ( 0.367 0.057 2.034) 2.068 26.491 ( -3.101 -0.008 -5.881) 6.649 26.846 ( 2.332 -1.833 11.678) 12.049 27.084 ( -3.076 -1.146 -7.259) 7.966 28.045 ( -3.944 -0.431 8.098) 9.018 28.387 ( 5.106 -2.018 -8.760) 10.338 28.486 ( -0.734 -7.458 4.792) 8.895 28.649 ( 8.335 -10.336 0.069) 13.278 29.134 ( -5.417 8.987 4.159) 11.287 29.348 ( -0.814 17.426 -6.850) 18.742 ======================= Grid point 201 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -3.308 9.960 14.069) 17.552 2.507 ( -5.068 4.798 5.400) 8.824 2.616 ( 3.142 0.398 0.895) 3.291 2.986 ( 0.051 -2.694 -9.855) 10.217 3.088 ( 6.080 8.969 -2.216) 11.060 3.360 ( -0.368 -2.920 0.325) 2.961 3.400 ( 11.621 7.271 4.536) 14.439 3.514 ( 3.663 -0.694 -0.215) 3.735 3.735 ( -8.823 2.425 5.421) 10.635 3.877 ( -1.273 -2.627 -1.002) 3.086 3.920 ( -4.218 -9.097 0.006) 10.028 3.994 ( -6.500 -1.904 -3.334) 7.549 4.118 ( 1.068 -4.698 -6.933) 8.443 4.264 ( -8.675 6.142 -2.667) 10.959 4.459 ( 1.815 -3.193 -4.107) 5.510 4.529 ( 3.935 1.166 2.479) 4.795 4.756 ( 11.615 2.234 7.112) 13.802 4.861 ( 5.060 9.976 -7.588) 13.517 5.023 ( 1.213 -0.493 5.964) 6.106 5.168 ( 1.504 2.310 -1.027) 2.942 5.392 ( -7.910 0.377 4.038) 8.889 5.601 ( 1.547 -5.082 3.424) 6.320 5.695 ( -5.420 -1.688 -3.609) 6.726 5.905 ( -1.594 1.487 -3.659) 4.259 6.081 ( 3.043 0.979 3.366) 4.641 6.163 ( 3.462 -1.611 3.088) 4.911 6.288 ( -1.463 1.360 -6.150) 6.466 6.364 ( -2.375 3.655 3.969) 5.895 6.463 ( -6.130 -0.709 -5.364) 8.176 6.646 ( 6.335 -2.341 -3.007) 7.393 6.728 ( -5.091 1.159 2.284) 5.699 6.835 ( -2.736 -0.308 2.118) 3.473 7.051 ( 8.196 4.055 2.871) 9.584 7.137 ( 1.904 1.568 -5.793) 6.296 7.269 ( -8.321 5.371 -2.236) 10.154 7.512 ( -4.883 3.544 2.242) 6.437 7.538 ( 4.640 -2.100 1.617) 5.344 7.793 ( 8.693 8.153 -0.158) 11.919 8.075 ( 0.093 -5.207 1.384) 5.389 8.154 ( 0.682 -5.038 -1.920) 5.435 8.734 ( -2.743 -6.827 5.301) 9.068 8.993 ( 2.580 -3.179 -7.685) 8.708 9.162 ( -4.402 5.595 0.339) 7.127 9.228 ( -3.665 1.813 -2.621) 4.857 9.444 ( -3.631 -0.626 -0.562) 3.728 9.507 ( -0.506 1.437 9.166) 9.292 9.746 ( -2.989 -1.097 7.673) 8.308 9.956 ( 3.057 1.645 -2.198) 4.109 10.148 ( -6.472 -3.681 0.425) 7.458 10.653 ( 7.797 -1.490 -4.488) 9.118 10.711 ( 1.215 3.400 5.966) 6.973 10.845 ( 4.108 4.668 -4.079) 7.437 11.157 ( -7.626 5.438 -7.470) 11.980 11.361 ( -3.716 0.183 -1.412) 3.980 11.431 ( 4.014 -2.303 3.368) 5.723 11.577 ( 4.865 -1.383 -0.285) 5.065 11.763 ( 1.327 2.987 3.336) 4.671 11.834 ( -5.604 -0.079 -0.055) 5.604 11.860 ( 2.362 2.783 -0.000) 3.650 11.983 ( 3.567 -1.340 1.877) 4.247 12.096 ( 0.391 -2.622 -3.179) 4.140 12.271 ( 8.390 -5.321 -6.350) 11.791 12.964 ( -9.145 -9.600 3.236) 13.648 13.166 ( -0.959 -13.908 -0.582) 13.953 14.723 ( -0.302 1.692 0.060) 1.720 14.762 ( 2.715 -2.077 1.319) 3.664 14.922 ( -4.373 -2.490 -0.611) 5.070 15.011 ( -1.079 0.504 -0.473) 1.281 15.135 ( 1.943 7.244 4.039) 8.518 15.243 ( 3.850 1.094 -2.527) 4.733 15.441 ( -0.253 -0.892 -2.777) 2.927 15.491 ( 1.921 -1.205 -1.341) 2.635 15.810 ( -5.848 -1.327 -0.138) 5.999 15.940 ( 2.343 -4.858 2.740) 6.050 16.201 ( -6.005 0.112 8.955) 10.782 16.473 ( 2.348 -0.938 -3.835) 4.594 16.826 ( -5.815 7.522 6.294) 11.402 17.121 ( 1.000 3.331 2.436) 4.246 17.406 ( 3.791 0.873 -7.821) 8.735 17.502 ( 4.378 0.428 -3.561) 5.660 25.608 ( -0.280 2.471 1.587) 2.950 25.637 ( 0.105 1.729 -0.620) 1.840 25.748 ( -1.039 -0.784 3.282) 3.531 25.781 ( -0.811 -0.354 -0.758) 1.165 25.807 ( -2.050 -4.123 3.998) 6.098 26.074 ( 6.057 -2.107 -7.558) 9.912 26.399 ( -1.632 1.740 0.437) 2.425 26.440 ( -0.662 1.438 -1.837) 2.425 26.971 ( 2.871 -3.124 12.062) 12.787 27.057 ( -2.317 -2.776 -6.929) 7.816 28.033 ( -6.520 1.105 6.307) 9.139 28.354 ( -0.090 2.665 -10.045) 10.393 28.562 ( -6.005 -3.853 -1.979) 7.404 28.901 ( -0.972 2.441 -5.913) 6.471 28.976 ( 7.508 -2.117 4.540) 9.026 29.113 ( 6.179 7.230 3.394) 10.098 ======================= Grid point 206 (101/140) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 8.502 -0.000 -5.463) 10.106 1.623 ( 0.060 -0.000 -10.442) 10.442 2.017 ( 16.279 -0.000 -8.888) 18.547 2.390 ( -9.454 0.000 -1.556) 9.581 2.736 ( -8.487 0.000 -7.886) 11.585 2.973 ( -14.200 0.000 -4.774) 14.981 3.035 ( 6.810 -0.000 -1.489) 6.971 3.119 ( 1.524 -0.000 3.078) 3.435 3.172 ( 3.036 -0.000 12.854) 13.207 3.638 ( 3.242 -0.000 -3.729) 4.941 3.720 ( -6.176 0.000 -5.643) 8.365 4.051 ( 5.901 -0.000 -1.148) 6.012 4.119 ( -12.427 0.000 4.539) 13.230 4.196 ( 6.075 -0.000 5.939) 8.496 4.319 ( -10.115 0.000 -2.945) 10.535 4.601 ( 12.442 -0.000 -6.742) 14.151 4.641 ( -1.377 0.000 5.367) 5.541 4.870 ( 5.741 -0.000 -1.295) 5.885 5.156 ( 1.574 -0.000 8.880) 9.018 5.213 ( 1.825 -0.000 -0.014) 1.825 5.430 ( -10.536 0.000 -1.609) 10.658 5.558 ( -5.167 0.000 -3.759) 6.390 5.653 ( 10.789 -0.000 -2.717) 11.126 5.922 ( -0.173 0.000 1.188) 1.201 5.941 ( -1.277 0.000 -6.441) 6.566 6.014 ( -10.114 0.000 -6.251) 11.890 6.223 ( 1.198 -0.000 -1.975) 2.310 6.439 ( -0.976 0.000 -3.687) 3.814 6.531 ( -1.448 0.000 10.921) 11.016 6.696 ( -0.956 0.000 3.918) 4.033 6.810 ( 7.526 -0.000 -2.743) 8.010 6.862 ( 7.307 -0.000 -4.666) 8.669 7.100 ( 0.259 -0.000 -0.435) 0.506 7.132 ( -4.101 0.000 -2.652) 4.883 7.437 ( -5.831 0.000 9.522) 11.165 7.537 ( -0.343 0.000 3.744) 3.760 7.635 ( 6.613 -0.000 10.443) 12.361 7.828 ( 2.353 -0.000 -0.418) 2.390 8.064 ( 0.295 -0.000 3.919) 3.930 8.345 ( -2.459 0.000 4.061) 4.747 8.636 ( 4.723 -0.000 -0.065) 4.723 8.849 ( -10.627 0.000 4.709) 11.623 8.939 ( -0.233 0.000 8.740) 8.743 9.179 ( -5.258 0.000 6.147) 8.089 9.399 ( -9.157 0.000 5.738) 10.806 9.612 ( 3.195 -0.000 -1.745) 3.640 9.646 ( 7.666 -0.000 -10.117) 12.694 9.932 ( 4.523 -0.000 -5.037) 6.770 9.940 ( -0.013 0.000 -7.515) 7.515 10.094 ( -3.261 0.000 -15.933) 16.263 10.634 ( 0.296 -0.000 2.536) 2.553 10.729 ( 5.296 -0.000 -3.038) 6.105 11.286 ( 2.717 -0.000 9.845) 10.214 11.363 ( 0.134 -0.000 -2.686) 2.689 11.528 ( -8.081 0.000 0.913) 8.133 11.560 ( 7.147 -0.000 -4.513) 8.452 11.667 ( 3.712 -0.000 1.765) 4.110 11.880 ( 0.436 -0.000 -5.767) 5.784 11.886 ( -1.594 0.000 6.768) 6.953 12.064 ( -6.005 0.000 -6.482) 8.836 12.077 ( -11.714 0.000 -9.986) 15.392 12.222 ( -3.613 0.000 -8.223) 8.982 12.794 ( 8.833 -0.000 8.443) 12.219 13.263 ( -4.494 0.000 -5.317) 6.962 14.741 ( 5.631 -0.000 -1.232) 5.764 14.754 ( -7.550 0.000 3.396) 8.278 14.871 ( 0.829 -0.000 7.189) 7.236 15.114 ( 0.528 -0.000 1.011) 1.141 15.299 ( -7.399 0.000 -6.277) 9.703 15.341 ( 6.071 -0.000 -10.712) 12.313 15.539 ( 2.089 -0.000 7.548) 7.832 15.646 ( 4.033 -0.000 1.355) 4.254 15.886 ( 4.408 -0.000 -0.999) 4.520 15.937 ( -6.179 0.000 3.758) 7.233 16.247 ( 1.133 -0.000 2.246) 2.515 16.309 ( -4.852 0.000 3.725) 6.116 17.221 ( 8.887 -0.000 2.812) 9.322 17.434 ( -1.014 0.000 -2.345) 2.555 17.617 ( -14.005 0.000 10.807) 17.690 17.666 ( 15.741 -0.000 -0.900) 15.767 25.524 ( 0.986 -0.000 0.479) 1.096 25.554 ( 1.456 -0.000 -1.361) 1.993 25.642 ( -2.505 0.000 1.175) 2.767 25.690 ( -2.112 0.000 -0.148) 2.117 25.844 ( -2.341 0.000 -1.902) 3.016 26.047 ( 0.607 -0.000 -4.463) 4.504 26.407 ( -1.898 0.000 -0.408) 1.942 26.440 ( -0.468 0.000 0.463) 0.658 26.799 ( -2.454 0.000 0.540) 2.512 27.221 ( -5.169 0.000 -16.543) 17.332 27.892 ( -4.725 0.000 14.621) 15.365 28.050 ( -0.439 0.000 2.783) 2.817 28.075 ( 8.665 -0.000 5.494) 10.260 28.169 ( 1.136 -0.000 -2.820) 3.040 29.446 ( -1.858 0.000 19.321) 19.410 30.421 ( 11.955 -0.000 -19.213) 22.628 ======================= Grid point 207 (102/140) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 3.005 -19.673 -0.683) 19.913 1.859 ( -1.972 -25.204 -14.768) 29.278 2.200 ( 15.905 -7.244 3.373) 17.799 2.459 ( -3.402 -15.304 3.790) 16.130 2.705 ( -18.177 -9.080 -11.734) 23.464 2.791 ( -16.636 -6.018 -2.267) 17.836 3.106 ( 6.825 1.872 -1.277) 7.191 3.117 ( 1.244 -1.438 0.473) 1.959 3.369 ( 6.200 -6.554 11.386) 14.527 3.595 ( -3.451 3.115 -1.587) 4.912 3.710 ( 6.861 -4.542 -7.335) 11.022 3.960 ( -6.768 6.808 -7.089) 11.933 4.130 ( -0.159 -1.817 5.913) 6.188 4.197 ( 4.426 -2.362 -1.449) 5.222 4.388 ( -3.538 -5.696 3.547) 7.586 4.551 ( 0.960 6.326 -2.598) 6.906 4.697 ( -2.018 -4.929 1.838) 5.634 4.938 ( 2.489 -2.240 1.309) 3.595 5.191 ( 4.751 0.481 -3.164) 5.729 5.242 ( -6.097 -3.478 0.862) 7.072 5.430 ( -1.278 -3.753 10.673) 11.386 5.525 ( -2.128 -0.315 3.794) 4.361 5.702 ( 8.181 0.980 -1.767) 8.427 5.872 ( -2.849 2.159 -6.733) 7.623 5.880 ( -3.123 3.536 -9.339) 10.463 5.981 ( -2.570 -7.158 -6.904) 10.272 6.242 ( 3.447 1.979 -0.847) 4.064 6.352 ( -1.261 2.604 -4.841) 5.640 6.562 ( 1.884 3.329 7.827) 8.712 6.673 ( -1.928 1.118 4.635) 5.143 6.826 ( 2.823 2.730 -2.563) 4.690 6.884 ( 6.252 1.259 -5.213) 8.237 6.996 ( -2.034 5.975 3.102) 7.033 7.161 ( 1.351 -1.666 -0.365) 2.176 7.442 ( -3.159 0.224 8.189) 8.780 7.531 ( 2.072 2.207 3.873) 4.916 7.775 ( 4.973 -3.128 4.212) 7.229 7.850 ( 0.141 -1.836 0.031) 1.842 8.075 ( 0.910 2.361 6.007) 6.518 8.249 ( -7.554 7.238 1.636) 10.589 8.667 ( 3.776 2.118 3.584) 5.620 8.809 ( -5.220 -2.258 -3.002) 6.431 9.058 ( 0.853 -6.496 14.455) 15.870 9.199 ( -5.766 -3.728 4.694) 8.317 9.392 ( -5.847 -2.675 5.350) 8.365 9.539 ( 4.627 5.029 -0.870) 6.889 9.673 ( -1.285 -0.604 -4.452) 4.673 9.918 ( 0.033 -0.054 -3.503) 3.504 9.943 ( 1.269 -3.381 -9.944) 10.580 10.169 ( 7.343 -13.609 -15.739) 22.064 10.630 ( -1.049 0.120 3.356) 3.518 10.804 ( 2.843 -5.512 -3.944) 7.350 11.324 ( -2.566 -0.534 -1.242) 2.901 11.372 ( 0.342 -1.926 -2.456) 3.140 11.464 ( -6.367 0.758 8.383) 10.555 11.602 ( 4.047 -0.161 2.454) 4.735 11.705 ( 6.813 2.408 1.873) 7.465 11.828 ( -5.279 0.088 -8.463) 9.975 11.930 ( 0.828 -0.730 2.207) 2.468 11.977 ( -5.790 -4.296 -6.176) 9.494 12.012 ( -2.860 -0.986 -4.405) 5.344 12.218 ( 0.431 -4.812 -6.136) 7.810 12.841 ( 7.907 6.520 7.218) 12.535 13.128 ( -4.659 8.112 -6.750) 11.536 14.692 ( -6.448 2.554 3.654) 7.839 14.778 ( 5.053 0.503 0.641) 5.119 14.935 ( 3.875 -1.523 4.551) 6.169 15.135 ( 0.622 -0.130 -0.888) 1.092 15.152 ( -5.489 4.536 -4.277) 8.307 15.361 ( 3.177 -2.261 -8.416) 9.276 15.535 ( 0.842 4.742 5.024) 6.959 15.678 ( 1.713 1.924 -0.646) 2.655 15.835 ( -2.562 3.883 3.776) 5.992 15.939 ( 1.147 -0.028 0.352) 1.200 16.233 ( -0.066 2.178 4.870) 5.335 16.346 ( -2.908 -4.055 -0.006) 4.990 17.304 ( 6.515 -0.382 2.332) 6.930 17.394 ( -4.296 1.793 0.181) 4.659 17.526 ( -11.552 2.391 5.888) 13.185 17.728 ( 14.775 7.076 0.293) 16.385 25.549 ( 0.435 -1.931 0.232) 1.993 25.572 ( 0.963 -1.673 -0.922) 2.139 25.635 ( -2.109 -0.597 1.737) 2.797 25.682 ( -1.662 -0.822 -0.308) 1.879 25.818 ( -1.786 0.557 0.033) 1.871 26.032 ( 1.410 -0.506 -6.682) 6.848 26.387 ( -1.229 0.302 0.665) 1.430 26.455 ( -1.437 -2.001 -1.417) 2.842 26.780 ( -1.514 0.728 3.589) 3.962 27.131 ( -3.321 -1.175 -12.922) 13.393 27.946 ( -3.627 -2.268 10.969) 11.774 28.083 ( 2.405 -3.093 6.114) 7.261 28.183 ( -0.108 -3.433 -1.156) 3.624 28.206 ( 6.962 -3.963 -0.535) 8.029 29.478 ( -4.836 4.241 18.529) 19.614 30.311 ( 9.372 11.768 -19.708) 24.793 ======================= Grid point 208 (103/140) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -2.639 -24.288 3.423) 24.670 2.122 ( -4.282 -20.503 -10.702) 23.521 2.493 ( -3.026 -11.412 2.898) 12.157 2.624 ( -24.520 -11.402 -1.724) 27.097 2.724 ( 4.711 -2.831 1.869) 5.805 2.889 ( 5.416 -16.692 7.797) 19.203 3.155 ( -2.068 -6.432 -2.754) 7.296 3.282 ( 4.046 -17.212 -5.409) 18.489 3.504 ( 1.627 1.183 -2.729) 3.390 3.585 ( 6.020 -3.223 8.102) 10.596 3.772 ( -1.412 0.110 -6.895) 7.039 3.846 ( 10.385 -2.383 -11.712) 15.834 4.203 ( 2.068 -1.326 4.495) 5.123 4.257 ( -1.917 -0.230 1.024) 2.185 4.396 ( -2.923 1.620 1.032) 3.498 4.476 ( 4.219 0.278 -2.455) 4.890 4.798 ( -5.081 -8.039 5.652) 11.063 4.961 ( 0.073 3.898 11.805) 12.432 5.197 ( 2.091 -2.315 -11.185) 11.611 5.246 ( -6.399 -2.309 -2.313) 7.186 5.460 ( -11.405 -0.026 1.917) 11.565 5.590 ( -3.275 2.364 2.978) 5.018 5.651 ( -0.607 -0.637 3.447) 3.557 5.781 ( 2.508 1.950 -5.618) 6.454 5.917 ( 7.911 -6.281 1.138) 10.165 6.044 ( -3.648 -6.258 -10.030) 12.373 6.214 ( 5.004 -0.364 -1.119) 5.140 6.339 ( 7.628 0.642 -5.465) 9.406 6.520 ( 0.675 5.186 4.051) 6.615 6.682 ( -3.863 -0.731 4.032) 5.632 6.753 ( 0.665 4.281 -6.665) 7.949 6.817 ( -0.556 4.924 -2.469) 5.536 6.986 ( 1.346 -0.109 8.781) 8.884 7.197 ( 6.605 0.907 0.422) 6.681 7.468 ( -1.604 -0.642 6.352) 6.582 7.528 ( 2.120 1.311 1.242) 2.785 7.834 ( 1.587 -0.959 0.120) 1.858 7.874 ( -4.019 0.375 -0.214) 4.042 8.027 ( -4.034 6.209 6.170) 9.638 8.102 ( 0.398 3.322 -0.236) 3.354 8.661 ( 1.730 3.129 4.446) 5.705 8.811 ( 3.062 -1.229 -4.960) 5.957 9.241 ( -3.118 -3.918 3.438) 6.074 9.255 ( -1.069 -6.876 12.705) 14.486 9.417 ( -4.139 -1.144 3.772) 5.716 9.534 ( 2.313 0.673 3.311) 4.095 9.632 ( -3.308 0.820 -0.706) 3.480 9.907 ( -4.153 -4.589 -7.921) 10.052 9.974 ( -1.950 -3.716 -3.127) 5.233 10.391 ( 15.144 -8.883 -11.908) 21.214 10.663 ( -2.610 -2.911 5.297) 6.584 10.895 ( 2.819 -5.703 -7.372) 9.738 11.286 ( -5.285 -0.770 -1.715) 5.609 11.364 ( -1.965 -0.431 -2.105) 2.912 11.508 ( -3.613 -3.674 6.143) 8.017 11.618 ( -0.370 2.473 1.473) 2.902 11.678 ( 2.702 5.523 0.521) 6.170 11.791 ( 3.456 -2.405 -4.335) 6.043 11.895 ( -3.487 1.691 -2.356) 4.535 11.989 ( 2.459 -2.149 -5.283) 6.211 12.104 ( -0.883 -7.343 5.142) 9.007 12.323 ( 2.880 -9.423 -5.837) 11.452 12.786 ( 5.169 9.721 4.993) 12.089 12.886 ( -2.188 11.571 -6.297) 13.353 14.624 ( -5.860 1.426 3.663) 7.056 14.803 ( 3.067 1.069 1.266) 3.486 14.988 ( 1.454 7.232 -3.704) 8.254 15.004 ( 4.778 -0.985 -1.060) 4.992 15.187 ( -4.212 -5.024 2.534) 7.029 15.379 ( 2.526 -1.470 -5.951) 6.631 15.474 ( -0.310 4.555 2.656) 5.282 15.570 ( -2.150 7.334 -3.143) 8.264 15.802 ( -4.211 1.138 4.107) 5.991 15.955 ( 6.509 1.877 0.999) 6.848 16.231 ( -1.276 1.188 7.341) 7.545 16.375 ( -1.806 -2.777 -3.323) 4.692 17.257 ( -12.169 5.385 5.838) 14.531 17.357 ( -1.051 2.368 3.713) 4.528 17.471 ( 0.037 -0.466 -3.014) 3.051 17.671 ( 13.173 11.563 -1.189) 17.568 25.590 ( -1.033 -3.232 -0.177) 3.398 25.614 ( 0.570 -2.883 0.217) 2.946 25.647 ( -1.183 -0.738 3.361) 3.638 25.684 ( -1.061 -0.651 -0.139) 1.252 25.800 ( -1.174 0.445 0.994) 1.601 26.023 ( 3.862 -0.620 -8.815) 9.644 26.392 ( -0.084 -0.586 2.364) 2.437 26.457 ( -2.164 -1.443 -3.591) 4.434 26.806 ( 0.032 -0.984 8.627) 8.683 27.069 ( -2.472 -0.536 -9.793) 10.115 28.000 ( -3.343 -1.940 7.540) 8.473 28.236 ( 3.609 -5.413 0.806) 6.555 28.257 ( 2.989 -8.285 0.775) 8.842 28.328 ( 3.387 -6.132 -0.774) 7.048 29.415 ( -6.189 7.828 14.907) 17.939 30.001 ( 3.578 19.550 -17.697) 26.612 ======================= Grid point 209 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -3.192 -16.830 9.944) 19.807 2.364 ( -9.896 -12.441 2.428) 16.081 2.410 ( -13.595 0.677 -2.310) 13.807 2.717 ( -8.804 -16.000 1.350) 18.312 2.991 ( 10.036 -12.161 -6.089) 16.902 3.180 ( 8.105 -5.251 0.452) 9.668 3.288 ( -5.774 -15.346 2.458) 16.580 3.435 ( 2.410 -0.847 -4.694) 5.344 3.604 ( 5.967 -7.983 6.285) 11.782 3.718 ( 6.091 -2.604 2.534) 7.092 3.808 ( 2.150 -8.710 -4.590) 10.077 3.922 ( 8.317 -3.427 -14.888) 17.395 4.121 ( -6.580 2.351 -3.412) 7.776 4.229 ( 3.555 7.625 5.359) 9.975 4.423 ( -2.075 -4.351 -2.582) 5.469 4.529 ( 7.661 1.300 5.575) 9.564 4.919 ( -3.253 -4.693 7.654) 9.549 4.966 ( 5.203 2.479 10.765) 12.211 5.115 ( -1.230 5.167 -11.438) 12.611 5.227 ( 2.165 -1.509 -7.806) 8.240 5.380 ( -15.885 -0.337 3.659) 16.304 5.439 ( -12.399 0.577 0.523) 12.424 5.727 ( -0.525 0.335 -0.122) 0.634 5.837 ( 4.510 -5.327 6.605) 9.610 6.005 ( -3.772 -2.441 -0.650) 4.540 6.079 ( -2.021 -6.156 -5.173) 8.291 6.268 ( 3.235 1.096 -2.723) 4.368 6.438 ( 9.625 -5.149 -2.698) 11.244 6.479 ( 0.175 1.483 0.787) 1.688 6.597 ( -0.533 5.736 -5.283) 7.816 6.692 ( -3.694 -1.201 -4.385) 5.858 6.802 ( 4.158 -1.426 6.557) 7.894 7.043 ( 0.442 -1.800 3.571) 4.024 7.239 ( 10.425 2.638 0.933) 10.794 7.433 ( -5.997 2.885 -1.535) 6.830 7.548 ( 2.724 1.967 1.754) 3.790 7.709 ( -9.786 6.449 -0.256) 11.722 7.885 ( -0.124 -2.878 2.483) 3.803 7.999 ( 1.500 2.076 6.736) 7.206 8.086 ( 6.091 1.279 -2.690) 6.780 8.651 ( 2.516 2.258 4.399) 5.548 8.845 ( 6.843 -1.910 -7.265) 10.161 9.276 ( -3.667 -1.244 3.412) 5.162 9.374 ( -7.201 2.435 -0.787) 7.642 9.395 ( -0.442 -3.920 4.745) 6.171 9.506 ( -5.195 2.400 6.397) 8.583 9.661 ( 0.445 -3.706 4.784) 6.068 9.934 ( -0.986 -4.878 -5.306) 7.275 9.993 ( -4.602 -3.359 -2.774) 6.337 10.557 ( 11.838 -3.712 -5.147) 13.432 10.719 ( -2.621 -2.836 4.804) 6.163 10.935 ( 2.266 -0.679 -7.569) 7.930 11.263 ( -6.703 -1.020 0.587) 6.805 11.346 ( -0.646 0.966 -0.940) 1.494 11.545 ( -3.644 -3.565 -4.768) 6.980 11.560 ( 3.390 5.869 2.587) 7.254 11.613 ( -0.936 1.510 3.950) 4.331 11.838 ( -4.634 -0.465 -1.201) 4.809 11.884 ( 9.106 -2.934 -4.240) 10.465 12.025 ( 2.784 -1.007 -2.388) 3.803 12.188 ( -1.118 0.877 5.613) 5.790 12.440 ( 8.388 4.368 -4.220) 10.356 12.631 ( -6.557 -1.722 -2.848) 7.353 12.823 ( 6.135 -1.442 1.924) 6.590 14.610 ( -3.752 -2.951 2.757) 5.513 14.789 ( 0.682 2.172 -1.986) 3.021 14.907 ( 0.356 2.521 1.949) 3.206 15.045 ( 6.750 0.232 -4.035) 7.868 15.249 ( -3.895 -3.359 3.351) 6.139 15.381 ( 0.125 0.775 -0.371) 0.868 15.403 ( -2.218 5.138 -0.591) 5.627 15.450 ( 1.664 1.575 -3.357) 4.064 15.756 ( -5.020 0.829 0.059) 5.088 15.975 ( 7.203 3.304 1.870) 8.142 16.239 ( -3.030 1.121 9.704) 10.228 16.391 ( -0.402 -3.028 -4.830) 5.715 17.083 ( -11.916 6.822 5.919) 14.952 17.288 ( -5.481 4.656 3.940) 8.200 17.460 ( 2.379 1.755 -4.208) 5.142 17.585 ( 11.418 7.337 -4.923) 14.437 25.628 ( -2.206 -2.306 0.153) 3.195 25.669 ( -1.375 -2.529 0.008) 2.879 25.674 ( -0.606 -2.013 5.083) 5.501 25.682 ( 0.037 -0.063 -0.164) 0.179 25.794 ( -0.269 0.296 0.777) 0.874 26.031 ( 6.736 -0.611 -8.210) 10.637 26.413 ( -1.512 -0.690 0.937) 1.908 26.449 ( -0.028 -0.718 -0.648) 0.967 26.888 ( 1.541 -2.141 10.891) 11.206 27.018 ( -1.144 -0.210 -7.739) 7.826 28.027 ( -5.227 -1.284 5.683) 7.827 28.327 ( 4.201 -4.786 -7.786) 10.059 28.397 ( 0.074 -4.618 1.299) 4.797 28.520 ( 6.893 -12.207 -0.292) 14.022 29.278 ( -6.482 9.947 10.616) 15.926 29.603 ( -1.492 19.009 -11.338) 22.184 ======================= Grid point 210 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -7.734 2.885 9.492) 12.579 2.465 ( -9.413 -6.480 3.008) 11.817 2.557 ( 0.648 -11.961 10.524) 15.945 2.898 ( 0.420 -6.505 -1.328) 6.652 3.120 ( 5.660 -4.785 -16.015) 17.647 3.295 ( 0.339 -3.146 2.019) 3.754 3.429 ( -1.156 -7.152 -4.666) 8.617 3.538 ( 3.624 -7.144 2.546) 8.406 3.732 ( -2.037 -1.784 6.396) 6.946 3.797 ( 5.009 2.095 3.012) 6.209 3.850 ( 0.332 6.001 -8.578) 10.474 3.947 ( 2.005 -8.785 -6.154) 10.912 4.054 ( -1.339 2.451 -2.821) 3.970 4.242 ( -1.863 -0.609 1.467) 2.448 4.413 ( 7.538 -1.045 -3.331) 8.307 4.588 ( -0.055 0.692 4.476) 4.530 4.941 ( 1.862 4.152 3.812) 5.936 4.978 ( 4.368 6.150 0.187) 7.545 5.062 ( 4.118 0.438 3.703) 5.555 5.249 ( 7.667 -1.945 -7.547) 10.932 5.270 ( -11.738 -0.602 7.257) 13.813 5.449 ( -11.916 -10.029 3.126) 15.885 5.690 ( 0.962 3.245 2.237) 4.057 5.922 ( -3.782 0.917 -0.497) 3.923 6.056 ( -4.297 -9.951 -1.455) 10.936 6.133 ( 3.306 -1.180 1.466) 3.804 6.259 ( 1.816 0.137 -2.648) 3.214 6.402 ( -6.625 2.268 -7.106) 9.977 6.455 ( 1.163 3.266 4.250) 5.484 6.607 ( 3.269 -2.711 -2.973) 5.184 6.654 ( -4.229 -0.264 -5.529) 6.966 6.930 ( 7.065 0.447 9.480) 11.831 7.080 ( -1.719 -1.659 -3.826) 4.511 7.244 ( 9.512 6.820 -4.014) 12.373 7.307 ( -2.595 4.303 -0.301) 5.034 7.446 ( -9.721 2.725 -3.309) 10.624 7.650 ( 4.723 1.909 6.937) 8.606 7.944 ( -0.157 -0.895 4.690) 4.777 8.005 ( 1.148 -0.623 1.011) 1.652 8.131 ( 7.785 -0.062 -0.075) 7.786 8.678 ( 1.332 -1.122 4.905) 5.205 8.915 ( 6.570 -4.339 -7.901) 11.154 9.217 ( -6.195 6.631 -5.238) 10.478 9.224 ( -6.975 3.428 -0.092) 7.772 9.406 ( -3.233 -0.404 -1.396) 3.545 9.531 ( -5.528 -2.212 13.434) 14.694 9.738 ( -1.364 -2.176 3.059) 3.994 9.993 ( 6.885 -0.385 -2.613) 7.374 10.010 ( -6.238 -6.273 -0.423) 8.857 10.637 ( 0.145 -1.878 -2.410) 3.059 10.771 ( 3.952 -1.287 3.288) 5.300 10.912 ( 3.496 1.610 -2.698) 4.700 11.159 ( -5.473 4.665 -7.676) 10.519 11.329 ( -2.840 1.069 3.588) 4.699 11.466 ( -0.020 3.979 -1.613) 4.293 11.582 ( 2.905 -2.737 -1.976) 4.453 11.697 ( -5.056 -6.984 3.994) 9.502 11.834 ( 1.380 -0.646 3.984) 4.265 11.945 ( 6.998 0.319 -3.046) 7.639 12.014 ( 0.315 2.008 -2.739) 3.411 12.140 ( 1.232 6.460 2.803) 7.149 12.326 ( 10.731 7.525 -5.097) 14.063 12.731 ( -7.432 -10.922 -1.484) 13.294 12.967 ( 0.923 -9.160 2.031) 9.427 14.696 ( 0.766 -6.464 1.496) 6.679 14.746 ( -1.107 0.481 -2.374) 2.664 14.889 ( -0.602 2.208 3.029) 3.796 15.054 ( 3.397 2.389 -1.824) 4.536 15.253 ( 0.602 0.436 1.141) 1.362 15.298 ( -0.058 6.526 2.496) 6.988 15.390 ( -0.694 -2.429 -1.504) 2.940 15.470 ( 1.575 -2.346 -2.613) 3.849 15.714 ( -5.345 -1.721 -2.691) 6.227 15.973 ( 3.251 2.939 2.772) 5.186 16.229 ( -4.794 2.333 9.980) 11.315 16.426 ( 1.423 -3.379 -4.591) 5.875 16.927 ( -7.110 5.953 5.145) 10.605 17.188 ( -4.065 4.002 4.128) 7.041 17.419 ( 4.029 2.301 -7.791) 9.068 17.551 ( 5.839 2.843 -3.639) 7.444 25.632 ( -1.938 -0.037 1.374) 2.376 25.659 ( -0.212 1.394 0.003) 1.410 25.720 ( -0.991 -3.629 -0.604) 3.810 25.727 ( -1.807 -2.716 2.834) 4.321 25.788 ( -0.045 0.767 0.640) 1.000 26.070 ( 7.821 -1.182 -5.150) 9.439 26.398 ( -1.978 0.282 -0.149) 2.003 26.467 ( 0.981 0.674 3.000) 3.228 26.962 ( -2.254 -2.368 -7.824) 8.479 27.022 ( 4.902 -1.133 11.740) 12.773 28.010 ( -7.521 0.079 2.627) 7.967 28.340 ( 0.515 0.875 -8.726) 8.784 28.465 ( -1.069 -3.774 -2.124) 4.461 28.785 ( 7.961 -12.715 -3.848) 15.487 29.098 ( -5.329 10.305 5.788) 12.965 29.309 ( 0.448 10.746 0.089) 10.756 ======================= Grid point 216 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 6.441 -0.000 -1.300) 6.571 1.480 ( -6.789 0.000 -10.473) 12.481 2.255 ( -13.133 0.000 -1.270) 13.194 2.348 ( 21.135 -0.000 10.921) 23.790 2.435 ( -22.337 0.000 -9.348) 24.214 2.521 ( -5.600 0.000 -7.891) 9.676 3.112 ( -4.655 0.000 0.379) 4.670 3.154 ( -2.661 0.000 -0.214) 2.670 3.458 ( 11.402 -0.000 10.749) 15.670 3.591 ( -12.119 0.000 5.814) 13.441 3.660 ( 3.490 -0.000 -10.620) 11.179 3.949 ( 1.125 -0.000 -1.924) 2.228 4.117 ( 4.948 -0.000 -0.139) 4.950 4.153 ( -0.346 0.000 -3.843) 3.859 4.461 ( 9.020 -0.000 11.364) 14.508 4.501 ( -14.252 0.000 -4.727) 15.015 4.699 ( 4.651 -0.000 -0.162) 4.654 4.854 ( 1.521 -0.000 -12.987) 13.075 5.176 ( -7.952 0.000 8.538) 11.667 5.267 ( 1.292 -0.000 -0.649) 1.446 5.450 ( 0.721 -0.000 10.797) 10.821 5.556 ( 3.382 -0.000 10.751) 11.271 5.786 ( -2.489 0.000 -9.524) 9.844 5.816 ( 5.752 -0.000 -0.013) 5.752 5.830 ( -1.561 0.000 -9.523) 9.650 5.915 ( 5.638 -0.000 -6.630) 8.703 6.306 ( -7.413 0.000 -2.955) 7.980 6.318 ( 8.548 -0.000 0.284) 8.553 6.628 ( 0.081 -0.000 4.577) 4.578 6.656 ( -7.064 0.000 1.620) 7.247 6.846 ( -0.520 0.000 -1.433) 1.524 6.920 ( 6.406 -0.000 -8.467) 10.617 7.055 ( -3.703 0.000 1.929) 4.176 7.134 ( 5.226 -0.000 -0.795) 5.286 7.452 ( -2.722 0.000 9.859) 10.228 7.635 ( 6.699 -0.000 1.110) 6.790 7.767 ( 0.725 -0.000 0.356) 0.807 7.838 ( 1.303 -0.000 -0.240) 1.324 8.176 ( 3.752 -0.000 13.656) 14.162 8.247 ( -10.599 0.000 -1.520) 10.708 8.705 ( -7.378 0.000 -1.668) 7.564 8.774 ( 10.547 -0.000 2.579) 10.857 9.074 ( -0.901 0.000 16.610) 16.635 9.136 ( -6.513 0.000 4.288) 7.797 9.352 ( -3.944 0.000 6.094) 7.259 9.598 ( -4.051 0.000 -3.192) 5.158 9.656 ( 4.191 -0.000 -4.015) 5.804 9.854 ( 5.773 -0.000 -14.668) 15.763 9.925 ( -2.784 0.000 -9.810) 10.197 10.004 ( 9.298 -0.000 -5.568) 10.838 10.629 ( -4.150 0.000 2.166) 4.681 10.752 ( 1.426 -0.000 -3.060) 3.376 11.276 ( -7.049 0.000 -1.895) 7.299 11.353 ( 1.822 -0.000 -1.548) 2.390 11.465 ( -9.006 0.000 10.297) 13.680 11.620 ( 1.396 -0.000 3.420) 3.694 11.743 ( -4.605 0.000 -8.194) 9.399 11.792 ( -0.142 0.000 2.869) 2.873 11.872 ( 4.762 -0.000 -6.674) 8.199 11.953 ( 3.723 -0.000 -4.509) 5.848 11.987 ( 0.857 -0.000 3.461) 3.565 12.171 ( 3.398 -0.000 -5.777) 6.703 12.986 ( 5.746 -0.000 7.346) 9.326 13.128 ( -3.812 0.000 -8.167) 9.013 14.682 ( -5.149 0.000 1.801) 5.455 14.838 ( 6.585 -0.000 1.055) 6.669 14.980 ( 3.315 -0.000 8.127) 8.777 15.067 ( -8.233 0.000 0.756) 8.268 15.192 ( 3.489 -0.000 -8.183) 8.896 15.313 ( 2.196 -0.000 -7.899) 8.198 15.625 ( 0.102 -0.000 5.128) 5.129 15.701 ( 1.746 -0.000 0.511) 1.820 15.859 ( -6.229 0.000 1.374) 6.378 15.941 ( 4.066 -0.000 -0.192) 4.070 16.268 ( -4.858 0.000 2.827) 5.621 16.302 ( 2.908 -0.000 2.665) 3.944 17.368 ( 6.866 -0.000 1.439) 7.015 17.370 ( -2.313 0.000 -4.329) 4.908 17.460 ( -18.033 0.000 8.675) 20.011 17.921 ( 17.208 -0.000 -0.178) 17.209 25.531 ( -0.679 0.000 -0.502) 0.845 25.554 ( -0.069 0.000 -1.215) 1.217 25.632 ( -0.471 0.000 3.267) 3.301 25.664 ( -0.471 0.000 -0.480) 0.672 25.814 ( -1.691 0.000 2.368) 2.909 26.002 ( 0.848 -0.000 -6.822) 6.875 26.385 ( -1.038 0.000 1.715) 2.005 26.427 ( -0.577 0.000 -0.979) 1.137 26.784 ( -2.710 0.000 4.375) 5.147 27.046 ( -1.038 0.000 -11.082) 11.131 27.932 ( -5.548 0.000 9.728) 11.199 28.093 ( 1.239 -0.000 3.955) 4.144 28.153 ( 0.564 -0.000 -1.762) 1.850 28.230 ( 7.809 -0.000 -1.941) 8.047 29.567 ( -7.421 0.000 20.950) 22.225 30.388 ( 10.053 -0.000 -23.032) 25.130 ======================= Grid point 217 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -7.403 -19.376 0.212) 20.743 1.671 ( -0.716 -20.891 -9.464) 22.946 2.102 ( -30.345 -11.943 -14.642) 35.746 2.431 ( -0.225 -5.412 13.432) 14.483 2.630 ( -2.294 -15.148 -2.676) 15.553 2.701 ( 13.412 -14.892 13.338) 24.074 3.017 ( -10.916 -0.698 -1.120) 10.996 3.113 ( -1.599 -0.962 -2.381) 3.026 3.527 ( -3.226 0.181 1.402) 3.522 3.596 ( 0.489 -3.236 6.081) 6.906 3.684 ( 3.056 -6.703 -6.669) 9.937 3.952 ( 11.201 6.498 -8.219) 15.337 4.133 ( 1.491 -1.964 -0.414) 2.500 4.235 ( 4.666 -3.056 2.776) 6.230 4.408 ( -9.761 -5.320 -2.063) 11.306 4.520 ( 6.217 6.017 7.975) 11.767 4.700 ( 1.410 -0.258 0.376) 1.482 4.940 ( 1.010 -10.657 -4.122) 11.471 5.146 ( -6.437 1.311 5.041) 8.281 5.220 ( -1.228 2.994 0.519) 3.278 5.466 ( -3.283 3.280 0.586) 4.678 5.617 ( -2.305 1.249 0.669) 2.706 5.680 ( -3.246 5.952 -4.696) 8.247 5.753 ( 3.249 -3.438 -1.028) 4.841 5.937 ( 6.917 -1.498 -6.003) 9.281 5.965 ( 10.353 -1.460 2.476) 10.744 6.230 ( -1.564 0.419 0.791) 1.802 6.385 ( 7.174 0.163 -2.806) 7.705 6.580 ( -5.683 2.879 0.333) 6.380 6.641 ( -4.598 -1.125 1.845) 5.080 6.794 ( -1.978 3.464 -2.361) 4.635 6.874 ( 0.694 3.488 -6.857) 7.724 7.035 ( 0.366 1.702 5.030) 5.323 7.221 ( 7.709 -3.765 -2.201) 8.857 7.480 ( -1.814 0.687 8.621) 8.837 7.618 ( 4.749 3.979 -0.271) 6.202 7.796 ( -1.681 -2.668 -1.103) 3.341 7.856 ( -1.055 0.611 -3.127) 3.356 8.103 ( -5.684 5.217 0.056) 7.715 8.224 ( 2.939 4.949 11.253) 12.640 8.677 ( -3.214 -2.329 -0.905) 4.071 8.855 ( 9.798 1.627 2.486) 10.238 9.141 ( -5.895 -4.074 2.702) 7.658 9.206 ( -0.466 -5.887 13.529) 14.762 9.383 ( -2.571 -1.927 6.293) 7.066 9.531 ( -8.479 -0.661 -4.293) 9.527 9.626 ( 3.538 2.570 -0.554) 4.408 9.825 ( 0.202 1.614 -7.012) 7.198 9.890 ( 0.720 -3.031 -5.389) 6.224 10.244 ( 16.629 -17.103 -11.370) 26.425 10.615 ( -5.737 -2.042 3.334) 6.943 10.779 ( 0.293 -4.500 -5.127) 6.828 11.221 ( -7.239 -0.741 1.380) 7.407 11.359 ( 0.282 0.886 0.146) 0.941 11.432 ( -8.636 -1.836 2.509) 9.179 11.644 ( -0.402 0.301 3.355) 3.393 11.700 ( -0.974 -0.837 -3.617) 3.839 11.774 ( -8.410 -3.771 -0.818) 9.253 11.868 ( 5.983 4.446 -3.591) 8.273 12.016 ( 9.747 -1.278 0.872) 9.869 12.054 ( 3.212 -3.060 5.220) 6.850 12.203 ( 4.699 -4.409 -6.636) 9.249 12.988 ( 0.468 8.211 -3.584) 8.971 13.011 ( 2.057 5.923 1.848) 6.536 14.633 ( -4.812 2.208 2.626) 5.910 14.869 ( 3.797 2.328 3.070) 5.409 14.998 ( -1.754 0.116 -3.103) 3.566 15.092 ( -1.913 -4.262 7.092) 8.492 15.129 ( 6.361 6.025 -6.073) 10.661 15.323 ( 1.895 -2.904 -7.020) 7.829 15.580 ( -1.212 5.724 3.714) 6.930 15.652 ( -1.614 6.097 -3.321) 7.128 15.808 ( -3.861 1.421 2.419) 4.772 16.000 ( 4.749 -1.945 0.497) 5.156 16.249 ( -4.751 -0.701 4.029) 6.269 16.342 ( 3.036 -0.094 1.247) 3.283 17.265 ( -11.039 4.912 1.777) 12.213 17.375 ( -8.029 0.470 3.023) 8.592 17.439 ( 3.109 -2.156 -1.372) 4.025 17.961 ( 15.136 9.924 -1.952) 18.204 25.534 ( -1.773 -1.873 -0.441) 2.617 25.565 ( -0.625 -2.289 -1.030) 2.586 25.657 ( 0.756 -0.331 4.865) 4.935 25.669 ( 0.396 -0.628 -0.116) 0.752 25.808 ( -1.650 1.005 3.238) 3.771 25.996 ( 3.339 -1.791 -6.880) 7.854 26.393 ( -0.616 -0.204 2.343) 2.431 26.423 ( -0.155 -0.493 -0.812) 0.962 26.809 ( -2.140 -2.166 7.691) 8.272 27.001 ( -0.222 -0.884 -8.450) 8.499 27.959 ( -5.241 -2.779 6.391) 8.720 28.157 ( 0.804 -4.255 0.410) 4.350 28.182 ( 2.494 -4.385 0.639) 5.085 28.287 ( 5.619 -2.206 -4.411) 7.476 29.559 ( -8.446 5.419 19.563) 21.987 30.219 ( 5.517 13.711 -24.192) 28.349 ======================= Grid point 218 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -14.097 -25.134 -1.329) 28.848 1.994 ( -8.106 -21.352 2.141) 22.939 2.218 ( -9.568 -28.153 -6.812) 30.505 2.430 ( -14.488 4.027 16.476) 22.307 2.907 ( 7.200 -14.769 -0.527) 16.439 2.982 ( -8.273 -8.292 1.372) 11.793 3.163 ( 9.023 -6.346 6.533) 12.821 3.234 ( 2.167 -21.283 -5.765) 22.156 3.532 ( 1.141 -3.261 -2.432) 4.225 3.682 ( 1.206 -4.533 1.025) 4.801 3.807 ( 5.426 -2.952 0.730) 6.220 3.882 ( 9.924 0.264 -11.981) 15.559 4.140 ( -5.128 3.197 -2.816) 6.667 4.279 ( 3.283 -3.285 3.280) 5.686 4.453 ( 3.483 6.609 4.245) 8.593 4.574 ( 3.589 -7.505 4.477) 9.447 4.761 ( -2.897 -6.143 5.365) 8.655 5.062 ( -2.280 -1.999 8.528) 9.051 5.094 ( -0.216 0.567 -9.758) 9.777 5.179 ( -0.880 2.084 -0.741) 2.381 5.347 ( -3.620 3.067 1.334) 4.928 5.464 ( -5.004 7.371 -4.480) 9.972 5.647 ( -3.943 -3.596 -2.011) 5.703 5.852 ( 1.841 -3.153 0.828) 3.744 5.930 ( 0.744 2.651 -2.728) 3.876 6.061 ( 8.112 -1.184 4.227) 9.224 6.279 ( -0.147 -1.138 1.211) 1.668 6.426 ( 7.390 -1.091 -3.498) 8.249 6.483 ( -5.986 1.604 -0.055) 6.198 6.630 ( -2.764 -1.347 -2.470) 3.944 6.679 ( -0.064 6.374 -6.597) 9.174 6.838 ( 3.222 -1.008 2.532) 4.220 7.026 ( -1.359 0.529 0.191) 1.471 7.338 ( 12.005 -2.062 -3.342) 12.631 7.461 ( -3.584 3.875 5.670) 7.746 7.604 ( 0.002 3.725 -0.658) 3.783 7.711 ( -7.679 3.259 -3.689) 9.121 7.825 ( -2.910 -2.832 0.795) 4.138 8.087 ( 6.592 1.280 4.505) 8.087 8.190 ( 2.336 5.102 5.003) 7.518 8.703 ( 1.763 -1.253 -0.141) 2.167 8.901 ( 9.898 2.844 0.479) 10.310 9.191 ( -4.905 -5.224 1.112) 7.251 9.328 ( -3.074 -3.037 1.159) 4.474 9.367 ( -4.347 0.783 -0.295) 4.426 9.491 ( -7.616 -1.920 6.095) 9.942 9.645 ( -0.081 -0.664 4.909) 4.955 9.798 ( -3.466 -3.033 -1.944) 4.999 9.934 ( 4.404 -3.253 -4.599) 7.150 10.539 ( 8.450 -5.707 -4.007) 10.956 10.659 ( 0.594 -5.811 1.059) 5.936 10.859 ( 3.706 -6.777 -8.478) 11.469 11.198 ( -8.334 -1.188 3.579) 9.147 11.341 ( -2.575 -1.127 0.759) 2.912 11.437 ( -0.952 -2.725 -1.374) 3.197 11.642 ( -0.656 1.697 3.935) 4.335 11.698 ( 0.091 -0.726 -3.046) 3.132 11.711 ( -6.559 2.009 -7.969) 10.515 11.898 ( 5.928 -3.253 3.998) 7.855 12.061 ( 3.160 2.372 1.547) 4.243 12.183 ( 3.461 -4.732 5.771) 8.226 12.340 ( 4.702 -9.622 -3.563) 11.286 12.776 ( 4.002 13.150 -7.498) 15.658 12.951 ( 4.291 7.153 6.267) 10.433 14.582 ( -3.800 0.955 4.172) 5.724 14.837 ( 0.407 4.528 -1.401) 4.757 14.976 ( 1.889 1.872 1.104) 2.879 15.057 ( 0.769 -0.129 -5.677) 5.730 15.191 ( 1.154 -2.294 6.405) 6.900 15.351 ( 2.651 -1.764 -6.716) 7.433 15.491 ( -1.539 5.094 3.042) 6.130 15.506 ( -2.134 6.267 -2.737) 7.164 15.752 ( -3.710 2.555 -0.144) 4.507 16.059 ( 4.801 -0.067 -0.353) 4.814 16.257 ( -4.564 -1.821 5.334) 7.252 16.362 ( 3.816 1.245 0.559) 4.052 17.094 ( -14.270 4.711 3.709) 15.478 17.314 ( -6.012 2.188 1.633) 6.603 17.472 ( 1.324 -0.278 -1.556) 2.062 17.829 ( 10.305 13.800 -6.044) 18.253 25.560 ( -2.152 -3.108 -0.055) 3.781 25.603 ( -1.009 -3.325 -1.048) 3.629 25.677 ( -0.953 0.414 2.844) 3.028 25.691 ( 0.599 -0.313 3.681) 3.743 25.798 ( -0.332 0.042 0.864) 0.927 26.039 ( 7.575 -1.505 -5.802) 9.660 26.391 ( -1.237 -0.107 0.529) 1.349 26.450 ( 1.332 -1.218 3.100) 3.587 26.871 ( -2.717 -2.788 2.075) 4.412 27.011 ( 4.829 -1.197 2.478) 5.558 27.982 ( -5.526 -1.812 3.120) 6.600 28.230 ( 2.002 -5.504 -4.647) 7.476 28.339 ( 2.841 -3.218 -3.713) 5.676 28.361 ( 4.331 -11.244 -0.687) 12.069 29.453 ( -8.403 9.603 15.820) 20.325 29.829 ( -3.221 19.002 -19.287) 27.267 ======================= Grid point 219 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -12.853 -19.758 1.194) 23.600 2.217 ( -17.513 -11.455 12.335) 24.291 2.469 ( 1.189 -8.734 17.980) 20.024 2.643 ( 0.855 -24.157 -1.418) 24.214 2.996 ( -1.187 -3.878 -10.895) 11.625 3.157 ( -4.037 -13.049 -8.137) 15.899 3.283 ( 2.059 -1.751 2.985) 4.027 3.510 ( 10.773 -5.950 -2.630) 12.585 3.642 ( -1.450 -8.898 -3.703) 9.746 3.782 ( -0.377 -7.067 3.689) 7.981 3.880 ( 3.198 -0.943 -0.883) 3.449 3.995 ( 9.507 -4.817 -7.669) 13.130 4.021 ( 2.802 6.493 2.648) 7.551 4.323 ( 1.618 4.418 0.164) 4.708 4.410 ( 4.514 0.532 0.025) 4.546 4.654 ( 1.350 1.775 5.125) 5.590 4.917 ( -7.527 -11.333 9.906) 16.829 4.991 ( -2.535 2.519 -7.140) 7.985 5.143 ( -0.656 -1.274 -10.819) 10.913 5.150 ( -5.616 -4.930 6.331) 9.794 5.254 ( 4.666 8.696 6.999) 12.099 5.406 ( 2.831 -0.075 8.272) 8.743 5.674 ( -3.338 -4.946 -4.909) 7.726 5.841 ( -4.250 -2.070 -9.205) 10.348 5.935 ( -0.978 -0.037 8.311) 8.369 6.162 ( 6.178 -0.884 3.258) 7.040 6.264 ( -2.760 -0.049 1.901) 3.351 6.357 ( -4.580 2.532 -5.407) 7.525 6.497 ( -1.541 1.497 0.324) 2.173 6.596 ( 5.020 -0.222 -7.046) 8.654 6.619 ( -1.025 -0.888 -2.934) 3.232 6.975 ( 5.562 -3.674 1.287) 6.789 7.014 ( 1.633 -3.195 -2.483) 4.363 7.350 ( -5.054 5.641 -0.814) 7.617 7.392 ( -0.127 6.503 -0.537) 6.526 7.445 ( -0.044 2.348 -4.304) 4.903 7.725 ( 6.921 -0.331 2.556) 7.385 7.850 ( -5.993 -3.853 1.441) 7.269 8.097 ( 0.438 4.774 7.184) 8.637 8.205 ( 8.481 -0.143 -0.406) 8.492 8.736 ( 3.853 0.772 2.160) 4.484 8.921 ( 9.392 2.356 -3.503) 10.297 9.206 ( -4.854 0.413 -2.004) 5.268 9.221 ( -8.978 2.544 -4.384) 10.310 9.378 ( -0.405 0.080 -2.712) 2.744 9.512 ( -5.337 -1.545 12.458) 13.641 9.680 ( -2.417 -3.343 1.507) 4.392 9.851 ( -4.676 -6.696 1.387) 8.284 10.023 ( 7.825 -2.659 -0.666) 8.291 10.575 ( -5.209 -2.219 -0.479) 5.682 10.776 ( 5.062 -3.307 1.692) 6.279 10.930 ( 5.227 -1.187 -5.424) 7.626 11.133 ( -8.502 1.539 -2.512) 8.998 11.373 ( 1.192 -0.696 3.044) 3.342 11.480 ( 0.526 -2.300 -1.781) 2.956 11.553 ( -4.736 3.991 -3.353) 7.043 11.632 ( -2.761 0.732 0.939) 3.007 11.755 ( 0.748 -7.384 -0.323) 7.429 11.995 ( 2.414 1.608 2.609) 3.901 12.036 ( 4.118 0.524 -4.215) 5.916 12.265 ( 3.870 2.477 4.722) 6.589 12.470 ( -7.649 -4.779 -6.857) 11.330 12.619 ( 15.824 8.555 1.303) 18.036 12.937 ( 3.872 1.340 5.679) 7.003 14.612 ( 0.051 -4.225 3.960) 5.791 14.746 ( -1.869 2.990 -2.860) 4.540 14.959 ( -0.209 2.914 3.931) 4.898 15.087 ( 5.169 -1.693 -3.861) 6.670 15.234 ( -1.554 -0.987 0.301) 1.865 15.349 ( -1.422 -0.735 -0.368) 1.643 15.412 ( -1.422 3.743 4.206) 5.807 15.438 ( 2.925 1.444 -5.104) 6.057 15.676 ( -3.471 2.191 -2.001) 4.567 16.064 ( 2.331 2.929 0.636) 3.797 16.277 ( -4.159 0.064 7.467) 8.547 16.375 ( 3.803 -0.319 -1.900) 4.263 16.948 ( -10.774 2.742 3.296) 11.596 17.225 ( -7.278 3.477 4.223) 9.104 17.454 ( 1.160 1.854 -3.739) 4.332 17.665 ( 6.886 8.560 -8.360) 13.805 25.596 ( -2.223 -2.760 0.366) 3.562 25.640 ( -1.252 -2.675 -0.956) 3.104 25.671 ( -2.242 -0.182 2.426) 3.308 25.714 ( 0.460 -0.222 2.630) 2.679 25.804 ( 1.002 0.194 -0.032) 1.021 26.093 ( 7.363 -0.844 -4.481) 8.661 26.397 ( 0.590 -0.089 2.683) 2.748 26.492 ( 0.585 -0.448 3.704) 3.776 26.867 ( -2.879 -2.017 -7.821) 8.574 27.126 ( 9.141 0.007 13.229) 16.080 27.956 ( -6.811 -0.147 -1.215) 6.920 28.298 ( 1.755 -2.595 -6.651) 7.352 28.389 ( 1.229 -3.900 -3.436) 5.341 28.600 ( 5.269 -13.346 -3.200) 14.701 29.271 ( -8.149 12.032 9.153) 17.174 29.459 ( -5.292 11.239 -6.528) 14.034 ======================= Grid point 226 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -16.901 0.000 -7.605) 18.533 1.489 ( 4.325 -0.000 -0.021) 4.325 1.654 ( -36.018 0.000 -15.290) 39.129 2.443 ( 2.164 -0.000 -2.698) 3.459 2.448 ( 0.743 -0.000 14.973) 14.992 2.744 ( 6.794 -0.000 12.805) 14.495 2.920 ( -28.103 0.000 5.295) 28.598 3.068 ( 5.946 -0.000 -0.237) 5.950 3.483 ( -11.103 0.000 10.912) 15.568 3.555 ( 0.725 -0.000 -12.480) 12.501 3.635 ( 5.015 -0.000 2.891) 5.789 4.066 ( 14.829 -0.000 -8.263) 16.976 4.209 ( 3.902 -0.000 4.493) 5.951 4.218 ( -11.543 0.000 -2.881) 11.897 4.314 ( 10.203 -0.000 2.534) 10.513 4.653 ( 3.048 -0.000 6.352) 7.045 4.754 ( 7.711 -0.000 -15.389) 17.213 4.780 ( 3.364 -0.000 6.758) 7.549 5.151 ( -7.234 0.000 9.847) 12.219 5.222 ( -1.477 0.000 -4.506) 4.742 5.475 ( -3.338 0.000 -2.015) 3.899 5.564 ( -3.399 0.000 -8.782) 9.417 5.710 ( -2.331 0.000 -8.353) 8.672 5.775 ( 5.817 -0.000 6.172) 8.481 5.978 ( 5.071 -0.000 3.272) 6.035 6.052 ( 13.762 -0.000 3.155) 14.119 6.214 ( -2.764 0.000 2.562) 3.769 6.428 ( 4.620 -0.000 -1.914) 5.001 6.553 ( -6.076 0.000 1.430) 6.242 6.608 ( -4.462 0.000 0.947) 4.561 6.796 ( -3.445 0.000 -0.651) 3.506 6.859 ( -1.004 0.000 -9.697) 9.749 7.094 ( 3.231 -0.000 3.490) 4.756 7.223 ( 6.270 -0.000 -0.523) 6.292 7.518 ( -3.727 0.000 9.044) 9.782 7.681 ( 1.330 -0.000 -2.028) 2.425 7.746 ( 2.597 -0.000 -3.958) 4.734 7.823 ( -5.743 0.000 -7.198) 9.208 8.123 ( 2.366 -0.000 -0.704) 2.469 8.345 ( -0.584 0.000 10.618) 10.634 8.609 ( -2.705 0.000 -1.550) 3.118 8.972 ( 9.728 -0.000 2.301) 9.997 9.083 ( -4.431 0.000 4.603) 6.389 9.202 ( -1.964 0.000 12.797) 12.946 9.392 ( -0.273 0.000 7.795) 7.800 9.425 ( -7.035 0.000 -9.514) 11.832 9.712 ( 3.924 -0.000 2.961) 4.916 9.823 ( 0.597 -0.000 -7.119) 7.144 9.876 ( 9.999 -0.000 -7.268) 12.362 10.080 ( 7.404 -0.000 -4.871) 8.863 10.552 ( -8.012 0.000 1.957) 8.247 10.718 ( -1.282 0.000 -3.548) 3.773 11.172 ( -7.575 0.000 4.575) 8.849 11.336 ( -10.314 0.000 0.142) 10.315 11.397 ( 3.388 -0.000 0.646) 3.449 11.597 ( -10.139 0.000 -1.186) 10.208 11.695 ( 0.977 -0.000 -0.733) 1.222 11.707 ( -1.530 0.000 4.843) 5.079 11.950 ( 3.686 -0.000 -1.349) 3.925 12.029 ( 7.567 -0.000 0.840) 7.614 12.149 ( 9.843 -0.000 7.471) 12.357 12.159 ( 3.140 -0.000 -8.372) 8.941 13.021 ( 2.987 -0.000 -9.800) 10.245 13.112 ( 0.646 -0.000 8.740) 8.764 14.634 ( -2.459 0.000 0.824) 2.593 14.934 ( 0.210 -0.000 5.420) 5.424 14.942 ( -6.297 0.000 -1.307) 6.431 15.102 ( 2.523 -0.000 4.397) 5.069 15.210 ( 11.017 -0.000 -10.729) 15.378 15.276 ( 0.606 -0.000 -0.987) 1.158 15.620 ( -3.654 0.000 -0.837) 3.749 15.695 ( -0.555 0.000 -3.362) 3.408 15.809 ( -1.582 0.000 1.400) 2.113 16.012 ( 3.186 -0.000 2.336) 3.950 16.207 ( -6.885 0.000 3.047) 7.529 16.389 ( 4.940 -0.000 2.566) 5.567 17.242 ( -19.386 0.000 6.332) 20.394 17.297 ( 0.246 -0.000 -6.614) 6.619 17.449 ( 2.453 -0.000 0.286) 2.470 18.161 ( 16.020 -0.000 -6.140) 17.157 25.502 ( -2.125 0.000 -0.062) 2.126 25.532 ( -1.056 0.000 -1.000) 1.454 25.670 ( 1.240 -0.000 0.232) 1.261 25.692 ( 2.728 -0.000 3.927) 4.781 25.848 ( -0.126 0.000 8.632) 8.633 25.954 ( 1.381 -0.000 -5.885) 6.045 26.406 ( 0.165 -0.000 3.107) 3.111 26.415 ( 0.230 -0.000 -0.231) 0.326 26.810 ( -2.157 0.000 10.912) 11.123 26.951 ( -0.059 0.000 -7.176) 7.176 27.915 ( -6.163 0.000 5.374) 8.177 28.143 ( 1.105 -0.000 1.873) 2.174 28.146 ( 1.382 -0.000 -2.503) 2.860 28.286 ( 5.376 -0.000 -6.812) 8.678 29.632 ( -10.107 0.000 20.281) 22.660 30.253 ( 4.836 -0.000 -31.428) 31.797 ======================= Grid point 227 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -16.572 -24.340 2.236) 29.531 1.509 ( -26.566 -21.333 -3.357) 34.236 1.722 ( 4.242 -21.646 1.706) 22.123 2.445 ( -23.943 3.360 17.308) 29.734 2.620 ( 2.624 -15.321 -2.442) 15.735 2.863 ( -8.428 -9.869 9.801) 16.263 2.883 ( 2.037 -13.595 -2.697) 14.009 3.209 ( 11.401 -3.024 8.946) 14.804 3.425 ( -7.724 -1.973 -1.440) 8.101 3.632 ( 1.861 -10.525 -4.909) 11.762 3.695 ( 3.786 -1.685 1.024) 4.269 4.013 ( 3.842 9.080 -4.775) 10.955 4.131 ( -5.354 2.675 -1.690) 6.219 4.264 ( 3.817 -4.792 0.888) 6.191 4.436 ( 2.379 -4.398 5.508) 7.439 4.684 ( 6.410 1.997 2.277) 7.089 4.751 ( 10.000 1.864 -6.189) 11.907 4.937 ( 1.661 -8.239 -0.144) 8.406 5.112 ( -2.355 2.623 1.622) 3.880 5.205 ( -0.439 -0.504 0.748) 1.003 5.387 ( -1.569 4.256 -4.495) 6.386 5.517 ( 0.170 1.966 -5.207) 5.569 5.579 ( -3.876 4.495 -4.267) 7.310 5.859 ( 3.355 -0.884 5.329) 6.359 5.985 ( -0.394 2.175 0.630) 2.298 6.175 ( 12.327 1.533 6.209) 13.887 6.247 ( -2.591 -2.020 2.988) 4.441 6.426 ( -1.479 -1.238 -3.953) 4.398 6.494 ( -1.174 4.173 1.308) 4.528 6.580 ( -3.709 -0.102 1.122) 3.877 6.738 ( -0.719 4.060 -5.937) 7.228 6.823 ( 0.224 -2.671 -1.790) 3.223 7.076 ( 0.762 5.178 1.026) 5.333 7.319 ( 7.082 -5.287 -3.540) 9.520 7.511 ( -6.272 0.620 6.800) 9.272 7.632 ( -14.427 4.418 -6.791) 16.546 7.702 ( 9.040 0.488 -1.653) 9.203 7.791 ( 3.126 -0.190 -1.778) 3.601 8.164 ( 8.121 -0.346 -1.236) 8.221 8.300 ( -4.645 5.319 4.162) 8.197 8.650 ( 0.981 -5.115 -0.131) 5.210 9.031 ( 6.966 1.039 2.361) 7.429 9.088 ( -3.776 -2.069 3.880) 5.796 9.264 ( -1.842 -1.458 -1.527) 2.802 9.322 ( -5.804 0.584 -2.771) 6.458 9.447 ( -0.997 -2.348 7.645) 8.060 9.700 ( 2.564 4.168 3.723) 6.149 9.782 ( -0.330 2.069 -0.491) 2.152 9.917 ( 6.004 -1.621 0.159) 6.221 10.420 ( 18.513 -21.142 -8.448) 29.344 10.522 ( -7.444 -4.523 0.364) 8.718 10.727 ( -1.106 -4.722 -3.981) 6.275 11.139 ( -9.279 0.034 6.009) 11.054 11.278 ( -6.123 -1.276 0.725) 6.296 11.406 ( -2.074 -1.571 -4.516) 5.212 11.558 ( -6.270 -1.776 1.656) 6.724 11.695 ( 1.106 0.664 3.990) 4.193 11.734 ( 0.195 -0.195 1.545) 1.570 11.944 ( 4.239 1.800 4.112) 6.174 12.116 ( 1.323 2.126 -5.749) 6.271 12.159 ( 7.331 -5.515 4.148) 10.068 12.272 ( 4.898 -3.007 2.520) 6.276 12.962 ( 10.298 7.204 -7.857) 14.822 13.116 ( 0.555 4.489 9.491) 10.514 14.606 ( -1.790 1.837 2.895) 3.868 14.902 ( -4.091 1.120 1.335) 4.447 14.953 ( 0.836 -1.885 -0.702) 2.178 15.060 ( -1.587 4.377 -2.955) 5.514 15.268 ( 5.095 2.561 6.566) 8.697 15.311 ( 8.169 -3.381 -8.439) 12.222 15.540 ( -4.519 3.501 -2.861) 6.392 15.603 ( -1.495 7.088 -1.187) 7.340 15.779 ( -1.217 3.007 -0.043) 3.244 16.057 ( 2.015 -1.675 -0.587) 2.686 16.191 ( -6.651 -2.622 3.717) 8.058 16.440 ( 6.262 0.705 2.906) 6.940 17.073 ( -16.154 4.524 3.121) 17.064 17.286 ( -2.186 -0.640 -3.046) 3.803 17.463 ( -0.273 -0.429 -0.459) 0.685 18.098 ( 8.308 13.331 -11.609) 19.532 25.502 ( -2.114 -1.869 0.420) 2.853 25.541 ( -0.916 -2.380 -0.942) 2.719 25.687 ( 1.403 -0.401 0.718) 1.626 25.730 ( 2.159 0.451 4.025) 4.590 25.819 ( -1.924 3.825 4.071) 5.908 26.026 ( 6.346 -4.459 -2.729) 8.222 26.403 ( 0.708 0.677 2.189) 2.398 26.450 ( 0.774 -1.733 2.735) 3.329 26.830 ( -2.702 1.294 2.130) 3.676 27.029 ( 7.925 -7.217 9.932) 14.612 27.910 ( -6.327 -2.366 1.567) 6.934 28.153 ( 1.068 -2.494 -2.580) 3.744 28.228 ( 2.298 -7.180 -0.561) 7.560 28.301 ( 4.361 -1.456 -7.294) 8.622 29.594 ( -10.905 5.923 17.765) 21.670 29.962 ( -5.851 14.497 -31.687) 35.333 ======================= Grid point 228 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -11.883 -26.123 14.127) 31.987 1.852 ( -14.309 -26.917 9.954) 32.068 2.201 ( 4.845 -27.730 1.652) 28.199 2.345 ( -22.505 -8.742 19.856) 31.260 2.817 ( -0.898 -9.505 -8.821) 12.999 2.970 ( 2.876 -6.090 -5.987) 9.012 3.260 ( 4.950 -13.557 2.651) 14.673 3.327 ( -1.654 -10.825 0.915) 10.989 3.497 ( 2.405 -8.217 -0.460) 8.574 3.750 ( 2.784 -0.664 1.930) 3.452 3.800 ( -0.667 -7.980 -4.903) 9.390 3.941 ( 6.369 -2.695 -2.213) 7.261 4.075 ( -3.250 -0.009 2.656) 4.197 4.374 ( -0.111 -4.081 3.568) 5.422 4.507 ( 1.977 0.564 1.130) 2.346 4.660 ( 1.087 5.518 6.164) 8.344 4.806 ( 3.004 -4.178 -3.771) 6.380 4.969 ( 0.354 1.536 -10.142) 10.264 5.072 ( -3.335 0.612 -2.410) 4.160 5.172 ( 3.726 5.094 -2.552) 6.807 5.385 ( 4.390 -1.875 5.338) 7.161 5.474 ( 3.603 0.376 0.666) 3.683 5.534 ( -3.784 -2.304 1.252) 4.604 5.833 ( 1.001 5.808 -1.527) 6.088 5.983 ( -1.604 0.156 7.417) 7.590 6.227 ( -2.350 -0.192 -0.261) 2.372 6.259 ( 8.825 2.286 4.557) 10.192 6.370 ( -5.694 3.756 0.350) 6.830 6.484 ( 2.144 -2.283 -3.829) 4.946 6.548 ( -3.241 -0.687 -2.666) 4.253 6.630 ( -0.356 3.717 -4.064) 5.519 6.941 ( 5.668 -7.208 -0.590) 9.188 6.993 ( -0.339 3.540 -2.521) 4.359 7.377 ( -12.089 5.908 -3.263) 13.846 7.411 ( 2.243 -1.814 -7.124) 7.686 7.487 ( -2.486 2.776 1.928) 4.196 7.760 ( 4.488 0.422 -5.943) 7.460 7.818 ( 4.951 -0.448 6.662) 8.312 8.191 ( -2.935 3.400 2.191) 4.997 8.240 ( 4.905 -1.152 -2.649) 5.692 8.746 ( 3.781 -3.278 0.193) 5.008 9.057 ( 4.990 2.790 3.048) 6.478 9.140 ( -2.887 -4.007 -0.411) 4.956 9.162 ( -3.059 3.564 -6.864) 8.317 9.346 ( -0.720 -3.343 1.015) 3.567 9.510 ( -0.882 -2.148 4.491) 5.056 9.668 ( -1.177 3.197 4.808) 5.892 9.759 ( -2.628 -1.433 3.266) 4.430 10.030 ( 7.620 -3.745 2.972) 8.996 10.487 ( -7.671 -2.237 1.151) 8.073 10.751 ( 4.122 -4.887 -0.070) 6.393 10.879 ( 13.632 -10.672 -12.718) 21.482 11.057 ( -12.914 1.581 0.504) 13.020 11.306 ( -3.041 -4.718 3.121) 6.422 11.407 ( -7.412 -5.951 -5.516) 10.990 11.539 ( 1.357 2.138 1.638) 3.016 11.687 ( 1.865 3.529 -0.811) 4.073 11.733 ( 0.678 1.192 5.013) 5.197 12.020 ( -0.642 -1.045 5.391) 5.529 12.059 ( 4.026 1.242 -5.207) 6.698 12.318 ( -0.843 -2.001 0.250) 2.185 12.334 ( 5.507 -3.437 1.581) 6.681 12.907 ( 16.125 8.610 0.573) 18.289 13.091 ( 5.782 6.555 8.699) 12.332 14.604 ( 0.839 -0.418 5.310) 5.392 14.804 ( -1.806 6.977 -1.973) 7.472 14.971 ( -4.152 -0.390 -2.547) 4.886 15.048 ( 3.678 -5.215 1.717) 6.608 15.244 ( 0.172 3.762 0.138) 3.769 15.348 ( 0.084 1.696 -2.972) 3.423 15.446 ( 0.641 3.272 -5.666) 6.575 15.507 ( 0.233 2.790 4.733) 5.499 15.702 ( -1.211 4.024 -1.468) 4.451 16.086 ( 0.766 -1.100 -1.917) 2.339 16.220 ( -4.469 -3.753 3.256) 6.683 16.472 ( 6.212 3.817 3.291) 8.000 16.906 ( -13.141 2.462 1.898) 13.504 17.238 ( -6.489 2.505 3.168) 7.643 17.450 ( -2.221 0.049 -2.248) 3.161 17.830 ( 1.760 12.454 -14.114) 18.905 25.531 ( -1.864 -2.978 0.622) 3.568 25.577 ( -0.942 -3.066 -0.948) 3.345 25.696 ( -0.350 1.933 3.486) 4.002 25.733 ( -0.292 0.974 4.187) 4.309 25.804 ( 0.634 -0.911 -0.396) 1.178 26.101 ( 5.365 -1.466 -4.914) 7.422 26.429 ( 2.957 -0.210 3.284) 4.424 26.499 ( 0.433 -1.380 4.075) 4.324 26.786 ( -3.170 -0.194 -5.149) 6.050 27.296 ( 17.388 -0.863 18.168) 25.162 27.885 ( -6.079 -1.101 -4.090) 7.409 28.220 ( 2.424 -5.334 -4.019) 7.105 28.328 ( 3.411 -2.636 -5.680) 7.131 28.406 ( 3.011 -11.679 -2.256) 12.270 29.433 ( -12.430 11.337 6.020) 17.868 29.524 ( -12.921 10.210 -11.843) 20.284 ======================= Grid point 236 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -17.026 0.000 7.110) 18.451 1.107 ( -24.819 0.000 15.556) 29.291 1.590 ( 5.958 -0.000 3.755) 7.043 2.324 ( -41.610 0.000 21.884) 47.014 2.480 ( 2.687 -0.000 -1.063) 2.890 2.767 ( -0.057 0.000 11.679) 11.679 2.769 ( 2.329 -0.000 -6.779) 7.168 3.316 ( 8.962 -0.000 9.233) 12.867 3.390 ( -10.929 0.000 1.616) 11.048 3.471 ( 2.805 -0.000 -7.497) 8.004 3.735 ( 5.142 -0.000 2.851) 5.879 4.048 ( -8.835 0.000 3.975) 9.688 4.183 ( 10.124 -0.000 -7.236) 12.444 4.280 ( -0.406 0.000 1.539) 1.592 4.354 ( -0.631 0.000 -7.589) 7.616 4.668 ( -0.096 0.000 -7.058) 7.059 4.884 ( 15.258 -0.000 -5.317) 16.158 4.904 ( 4.401 -0.000 3.555) 5.658 5.160 ( -0.698 0.000 5.805) 5.847 5.167 ( 0.393 -0.000 -2.790) 2.818 5.384 ( -0.463 0.000 -5.579) 5.598 5.539 ( 6.512 -0.000 -0.184) 6.515 5.614 ( -2.519 0.000 -2.637) 3.647 5.903 ( 3.278 -0.000 6.184) 6.999 5.980 ( -2.039 0.000 -3.246) 3.833 6.217 ( -4.617 0.000 6.208) 7.737 6.342 ( 13.484 -0.000 7.291) 15.329 6.366 ( -4.057 0.000 -4.170) 5.818 6.557 ( 1.066 -0.000 1.846) 2.132 6.563 ( -6.773 0.000 4.518) 8.142 6.750 ( -1.946 0.000 -6.075) 6.379 6.761 ( 0.954 -0.000 -1.131) 1.479 7.161 ( 2.080 -0.000 1.831) 2.771 7.300 ( 3.688 -0.000 0.473) 3.718 7.447 ( -10.814 0.000 2.076) 11.012 7.522 ( -12.785 0.000 -8.114) 15.142 7.781 ( 8.718 -0.000 -2.059) 8.958 7.831 ( 10.329 -0.000 -2.120) 10.544 8.196 ( 6.779 -0.000 -6.077) 9.104 8.301 ( -11.002 0.000 -1.106) 11.058 8.597 ( 1.480 -0.000 0.745) 1.657 9.018 ( -0.786 0.000 -2.015) 2.163 9.118 ( -3.917 0.000 7.424) 8.394 9.228 ( -4.200 0.000 1.395) 4.426 9.333 ( 7.023 -0.000 -5.902) 9.173 9.451 ( -1.002 0.000 4.575) 4.683 9.805 ( 4.577 -0.000 -4.870) 6.683 9.827 ( 3.009 -0.000 6.116) 6.817 9.998 ( 10.033 -0.000 -0.335) 10.039 10.218 ( 14.578 -0.000 4.489) 15.254 10.440 ( -8.128 0.000 1.917) 8.351 10.660 ( -1.393 0.000 -2.979) 3.289 11.113 ( -8.198 0.000 8.020) 11.469 11.234 ( -4.886 0.000 3.346) 5.922 11.288 ( -10.260 0.000 -9.113) 13.722 11.563 ( 0.303 -0.000 6.866) 6.873 11.713 ( 1.955 -0.000 -0.181) 1.963 11.764 ( -0.276 0.000 8.558) 8.562 12.040 ( 5.948 -0.000 9.928) 11.573 12.099 ( 1.447 -0.000 -10.448) 10.548 12.182 ( 8.854 -0.000 3.756) 9.617 12.292 ( -0.423 0.000 3.677) 3.702 13.107 ( 19.926 -0.000 -5.355) 20.633 13.187 ( -3.620 0.000 12.261) 12.784 14.629 ( 0.657 -0.000 1.276) 1.436 14.847 ( -4.986 0.000 0.126) 4.988 14.944 ( -3.358 0.000 2.369) 4.110 15.096 ( -2.182 0.000 -2.413) 3.253 15.321 ( 14.222 -0.000 -8.882) 16.767 15.359 ( 2.740 -0.000 7.703) 8.176 15.500 ( -7.890 0.000 -3.972) 8.834 15.658 ( 2.964 -0.000 -6.253) 6.920 15.813 ( 0.842 -0.000 -0.264) 0.883 16.046 ( -1.732 0.000 -1.081) 2.042 16.137 ( -5.226 0.000 5.934) 7.907 16.502 ( 6.889 -0.000 1.910) 7.149 16.995 ( -19.195 0.000 4.512) 19.718 17.262 ( 4.506 -0.000 -7.701) 8.923 17.450 ( -2.220 0.000 -0.205) 2.229 18.187 ( 0.632 -0.000 -23.325) 23.333 25.474 ( -1.823 0.000 1.000) 2.079 25.510 ( -0.694 0.000 -0.580) 0.905 25.698 ( 1.390 -0.000 0.870) 1.640 25.754 ( 2.060 -0.000 0.630) 2.154 25.941 ( 2.554 -0.000 -2.703) 3.719 25.970 ( 2.840 -0.000 7.425) 7.949 26.431 ( -0.540 0.000 1.622) 1.709 26.432 ( 0.746 -0.000 0.716) 1.034 26.907 ( 1.335 -0.000 -3.228) 3.493 27.060 ( 15.013 -0.000 32.565) 35.859 27.845 ( -6.556 0.000 0.610) 6.584 28.145 ( 1.939 -0.000 -3.372) 3.890 28.161 ( 0.384 -0.000 -0.354) 0.523 28.289 ( 5.307 -0.000 -7.964) 9.570 29.637 ( -13.139 0.000 16.671) 21.226 29.833 ( -15.868 0.000 -42.904) 45.744 ======================= Grid point 237 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -8.300 -36.635 11.962) 39.422 1.287 ( -5.725 -18.618 33.803) 39.014 1.849 ( 4.232 -21.441 8.008) 23.276 2.112 ( -38.937 -2.026 27.663) 47.806 2.609 ( 4.520 -11.304 -11.585) 16.806 2.863 ( 4.430 -8.800 -2.409) 10.142 2.950 ( 2.263 -15.962 -0.744) 16.139 3.250 ( -10.946 0.722 0.217) 10.972 3.431 ( 4.078 -4.881 3.028) 7.044 3.585 ( -1.874 -9.107 0.523) 9.313 3.808 ( 5.393 -2.058 4.245) 7.165 3.988 ( -2.761 4.771 0.150) 5.515 4.080 ( -1.028 4.828 2.386) 5.483 4.293 ( -1.808 -2.743 -2.110) 3.905 4.461 ( 2.928 -8.666 -4.222) 10.075 4.649 ( -1.340 -3.182 -11.751) 12.247 4.864 ( 3.104 7.189 -3.528) 8.588 4.967 ( 4.909 -0.861 -4.854) 6.957 5.116 ( 3.479 4.302 0.450) 5.551 5.235 ( 3.132 -1.913 -2.360) 4.363 5.399 ( 6.589 -2.365 2.715) 7.508 5.497 ( -2.976 8.958 0.797) 9.472 5.600 ( 7.928 0.143 3.105) 8.515 5.931 ( 1.696 2.936 0.066) 3.391 5.982 ( 0.172 -2.112 4.305) 4.798 6.208 ( -2.543 0.585 2.500) 3.614 6.330 ( -3.597 -2.284 -2.836) 5.119 6.422 ( 7.211 3.945 5.882) 10.108 6.484 ( -2.289 2.461 -2.567) 4.229 6.542 ( -4.009 3.126 3.434) 6.135 6.669 ( -1.226 4.035 -2.372) 4.838 6.837 ( -0.049 -6.754 -0.459) 6.770 7.086 ( 0.422 8.078 0.987) 8.149 7.341 ( -6.273 2.746 -4.679) 8.293 7.372 ( 1.831 -1.449 -6.420) 6.831 7.429 ( -9.338 -3.349 0.786) 9.951 7.836 ( 9.699 1.550 -6.603) 11.835 7.895 ( 6.844 1.683 3.747) 7.982 8.160 ( -11.422 0.436 -4.127) 12.152 8.224 ( 5.014 -1.323 -6.144) 8.040 8.691 ( 1.653 -6.222 1.896) 6.711 9.018 ( -1.735 -2.540 -6.523) 7.212 9.107 ( -2.409 0.461 6.149) 6.620 9.210 ( -1.644 -1.369 -1.288) 2.497 9.333 ( 5.674 2.561 0.083) 6.226 9.479 ( -1.682 -2.041 2.655) 3.747 9.748 ( 1.915 4.785 0.877) 5.228 9.830 ( 2.906 4.882 5.085) 7.625 10.065 ( 6.909 -1.086 6.459) 9.520 10.405 ( -6.840 -1.546 2.330) 7.390 10.632 ( 11.497 -20.319 -12.036) 26.266 10.684 ( 2.792 -4.867 -2.114) 5.996 11.046 ( -5.411 3.841 3.034) 7.297 11.229 ( -6.290 -4.135 0.166) 7.529 11.248 ( -4.520 -3.200 2.926) 6.263 11.583 ( 1.096 0.644 1.311) 1.826 11.734 ( 2.498 0.098 -0.552) 2.560 11.790 ( 0.258 1.643 7.425) 7.609 12.035 ( -1.307 2.475 -5.222) 5.925 12.124 ( 8.131 2.440 8.245) 11.834 12.276 ( -3.987 0.694 -1.598) 4.352 12.358 ( 11.854 -6.179 6.716) 14.960 13.146 ( 5.038 6.526 8.958) 12.174 13.284 ( 19.606 1.664 4.609) 20.209 14.639 ( 1.878 0.460 3.562) 4.053 14.839 ( -3.736 -1.432 -0.922) 4.106 14.936 ( -2.206 -0.094 -0.539) 2.272 15.028 ( 0.920 2.412 -0.806) 2.705 15.328 ( -9.503 1.798 -4.646) 10.729 15.340 ( 2.756 4.925 -0.799) 5.700 15.488 ( 7.049 -0.236 -1.984) 7.327 15.589 ( 1.155 6.186 0.102) 6.294 15.769 ( 1.014 4.489 -1.495) 4.839 16.040 ( -1.422 -2.592 -2.995) 4.209 16.153 ( -2.619 -1.975 5.213) 6.159 16.577 ( 7.835 0.056 2.321) 8.172 16.847 ( -16.266 2.376 2.410) 16.614 17.252 ( 0.567 1.999 -1.849) 2.782 17.412 ( -5.965 0.774 -1.187) 6.131 17.899 ( -12.486 8.911 -23.775) 28.295 25.483 ( -1.341 -1.725 1.332) 2.559 25.523 ( -0.462 -2.128 -0.525) 2.240 25.717 ( 1.155 -0.523 0.894) 1.552 25.780 ( 1.090 -1.467 -0.395) 1.870 25.837 ( -1.011 7.710 6.303) 10.010 26.077 ( 3.280 -3.068 -3.782) 5.871 26.436 ( 0.123 -0.959 -0.686) 1.185 26.475 ( -0.106 -3.903 0.617) 3.953 26.821 ( 0.807 6.900 2.528) 7.393 27.555 ( 35.669 -6.450 29.442) 46.698 27.783 ( -8.048 -0.184 -5.415) 9.702 28.144 ( 1.795 -2.738 -3.072) 4.490 28.246 ( 2.393 -7.815 -1.907) 8.392 28.310 ( 5.692 -1.629 -5.234) 7.902 29.372 ( -29.212 6.358 -30.214) 42.505 29.556 ( -14.778 5.472 12.178) 19.915 ======================= Grid point 246 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -2.497 0.000 27.365) 27.479 1.327 ( 1.739 -0.000 45.484) 45.517 1.721 ( -0.206 0.000 16.534) 16.536 1.964 ( -29.740 0.000 30.596) 42.669 2.464 ( 3.815 -0.000 -10.971) 11.615 2.796 ( 7.670 -0.000 -6.120) 9.813 2.829 ( 1.151 -0.000 -5.768) 5.882 3.189 ( -15.870 0.000 4.099) 16.391 3.332 ( 1.670 -0.000 -9.293) 9.441 3.560 ( -2.220 0.000 11.406) 11.620 3.827 ( -1.498 0.000 7.487) 7.636 4.029 ( 4.455 -0.000 -0.072) 4.455 4.138 ( -9.643 0.000 -8.425) 12.805 4.295 ( 6.766 -0.000 -3.127) 7.453 4.305 ( 0.178 -0.000 1.038) 1.054 4.571 ( 2.805 -0.000 -13.212) 13.507 4.901 ( -4.340 0.000 -6.598) 7.897 4.971 ( 6.065 -0.000 -6.646) 8.998 5.207 ( 1.986 -0.000 -4.103) 4.559 5.208 ( 2.917 -0.000 5.237) 5.994 5.460 ( 11.584 -0.000 3.761) 12.179 5.610 ( 1.656 -0.000 4.238) 4.550 5.641 ( 2.769 -0.000 -2.898) 4.008 5.964 ( 6.326 -0.000 0.085) 6.326 6.005 ( 2.095 -0.000 6.553) 6.879 6.221 ( -2.515 0.000 5.779) 6.302 6.268 ( -0.462 0.000 -3.951) 3.978 6.452 ( -10.768 0.000 2.206) 10.992 6.487 ( -2.199 0.000 -2.797) 3.558 6.553 ( 0.682 -0.000 -2.889) 2.968 6.737 ( -8.045 0.000 4.640) 9.287 6.741 ( 4.335 -0.000 0.122) 4.337 7.242 ( 1.937 -0.000 -6.079) 6.380 7.260 ( -9.485 0.000 -6.044) 11.247 7.356 ( 4.408 -0.000 6.010) 7.453 7.370 ( 3.869 -0.000 0.801) 3.951 7.839 ( -0.563 0.000 -6.323) 6.348 7.949 ( 3.284 -0.000 -2.870) 4.361 8.070 ( -10.551 0.000 -1.685) 10.685 8.229 ( 7.510 -0.000 -6.658) 10.037 8.645 ( 1.926 -0.000 2.352) 3.040 8.955 ( -0.612 0.000 -6.682) 6.710 9.128 ( -5.565 0.000 -3.339) 6.490 9.144 ( -1.940 0.000 7.413) 7.663 9.393 ( 4.165 -0.000 -3.794) 5.634 9.453 ( -2.148 0.000 2.365) 3.195 9.875 ( 9.176 -0.000 -2.866) 9.613 9.900 ( 1.864 -0.000 3.159) 3.668 10.148 ( 6.194 -0.000 3.517) 7.123 10.365 ( -4.193 0.000 3.544) 5.490 10.440 ( 0.995 -0.000 -0.332) 1.049 10.642 ( 0.565 -0.000 -3.027) 3.080 11.084 ( -6.288 0.000 8.501) 10.574 11.150 ( 8.282 -0.000 -6.260) 10.382 11.226 ( -3.209 0.000 7.000) 7.701 11.591 ( -0.068 0.000 -0.961) 0.963 11.751 ( 1.711 -0.000 1.887) 2.547 11.845 ( 1.943 -0.000 4.430) 4.837 12.017 ( 0.991 -0.000 -8.911) 8.966 12.214 ( -5.256 0.000 -2.470) 5.807 12.374 ( 12.606 -0.000 16.092) 20.441 12.375 ( 10.791 -0.000 4.374) 11.644 13.249 ( -6.292 0.000 16.312) 17.483 13.531 ( 34.894 -0.000 -0.212) 34.894 14.677 ( 3.486 -0.000 1.643) 3.854 14.789 ( -2.255 0.000 -0.798) 2.392 14.904 ( -3.034 0.000 0.530) 3.080 15.043 ( -3.100 0.000 -2.581) 4.034 15.233 ( -13.649 0.000 -2.715) 13.916 15.411 ( 5.527 -0.000 -6.140) 8.261 15.514 ( -1.276 0.000 9.645) 9.729 15.691 ( 9.971 -0.000 -7.724) 12.612 15.827 ( 3.123 -0.000 -2.641) 4.090 15.963 ( -2.693 0.000 -5.185) 5.843 16.187 ( 4.212 -0.000 7.078) 8.237 16.626 ( 3.800 -0.000 2.790) 4.714 16.759 ( -12.882 0.000 2.157) 13.061 17.281 ( 6.434 -0.000 -7.824) 10.130 17.389 ( -4.663 0.000 -0.477) 4.687 17.629 ( -38.877 0.000 -22.553) 44.945 25.469 ( -0.647 0.000 1.894) 2.002 25.501 ( -0.006 0.000 -0.125) 0.125 25.721 ( 0.809 -0.000 0.296) 0.862 25.763 ( -0.674 0.000 -1.349) 1.508 25.984 ( 4.162 -0.000 0.834) 4.244 26.015 ( -1.474 0.000 1.714) 2.261 26.407 ( -2.798 0.000 -1.215) 3.050 26.421 ( -1.243 0.000 -1.818) 2.203 26.942 ( 4.191 -0.000 1.724) 4.532 27.649 ( -2.356 0.000 -6.161) 6.596 28.060 ( 41.955 -0.000 26.957) 49.868 28.141 ( 2.474 -0.000 -4.028) 4.727 28.170 ( 10.799 -0.000 5.687) 12.205 28.318 ( 7.554 -0.000 -5.885) 9.576 28.962 ( -45.675 0.000 -24.840) 51.992 29.532 ( -18.011 0.000 10.285) 20.741 ======================= Grid point 247 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -6.726 0.000 -15.505) 16.901 1.790 ( 6.726 -0.000 15.505) 16.901 2.096 ( 24.176 -0.000 -19.176) 30.857 2.096 ( -24.176 0.000 19.176) 30.857 2.493 ( -10.614 0.000 -10.618) 15.013 2.493 ( 10.614 -0.000 10.618) 15.013 3.154 ( 1.461 -0.000 -24.853) 24.896 3.154 ( -1.461 0.000 24.853) 24.896 3.375 ( -7.431 0.000 -17.699) 19.196 3.375 ( 7.431 -0.000 17.699) 19.196 3.772 ( 5.227 -0.000 -9.419) 10.772 3.772 ( -5.227 0.000 9.419) 10.772 4.244 ( -6.671 0.000 -7.093) 9.737 4.244 ( 6.671 -0.000 7.093) 9.737 4.510 ( -12.696 0.000 -0.845) 12.724 4.510 ( 12.696 -0.000 0.845) 12.724 4.681 ( -1.507 0.000 -10.921) 11.024 4.681 ( 1.507 -0.000 10.921) 11.024 5.182 ( 7.435 -0.000 -8.960) 11.643 5.182 ( -7.435 0.000 8.960) 11.643 5.675 ( 2.994 -0.000 -5.414) 6.187 5.675 ( -2.994 0.000 5.414) 6.187 5.901 ( -10.784 0.000 -10.436) 15.006 5.901 ( 10.784 -0.000 10.436) 15.006 6.197 ( -0.352 0.000 -4.209) 4.224 6.197 ( 0.352 -0.000 4.209) 4.224 6.241 ( -6.559 0.000 -4.163) 7.768 6.241 ( 6.559 -0.000 4.163) 7.768 6.475 ( 5.457 -0.000 -5.997) 8.108 6.475 ( -5.457 0.000 5.997) 8.108 6.861 ( -7.941 0.000 1.170) 8.027 6.861 ( 7.941 -0.000 -1.170) 8.027 6.948 ( 8.402 -0.000 -8.332) 11.833 6.948 ( -8.402 0.000 8.332) 11.833 7.520 ( -2.168 0.000 -6.340) 6.700 7.520 ( 2.168 -0.000 6.340) 6.700 7.750 ( -8.168 0.000 -3.482) 8.880 7.750 ( 8.168 -0.000 3.482) 8.880 8.136 ( -0.773 0.000 -4.513) 4.579 8.136 ( 0.773 -0.000 4.513) 4.579 8.761 ( 0.558 -0.000 -5.500) 5.528 8.761 ( -0.558 0.000 5.500) 5.528 9.095 ( 0.095 -0.000 -4.815) 4.816 9.095 ( -0.095 0.000 4.815) 4.816 9.444 ( -0.690 0.000 -2.003) 2.118 9.444 ( 0.690 -0.000 2.003) 2.118 9.956 ( -5.107 0.000 1.372) 5.288 9.956 ( 5.107 -0.000 -1.372) 5.288 10.328 ( -7.392 0.000 -1.689) 7.583 10.328 ( 7.392 -0.000 1.689) 7.583 10.489 ( -0.372 0.000 -5.472) 5.484 10.489 ( 0.372 -0.000 5.472) 5.484 11.151 ( 11.667 -0.000 -6.009) 13.123 11.151 ( -11.667 0.000 6.009) 13.123 11.450 ( 0.096 -0.000 -8.159) 8.160 11.450 ( -0.096 0.000 8.159) 8.160 11.882 ( 0.829 -0.000 -3.118) 3.226 11.882 ( -0.829 0.000 3.118) 3.226 11.958 ( -5.811 0.000 -3.257) 6.662 11.958 ( 5.811 -0.000 3.257) 6.662 12.617 ( -4.628 0.000 -0.972) 4.729 12.617 ( 4.628 -0.000 0.972) 4.729 13.617 ( 7.914 -0.000 -14.467) 16.490 13.617 ( -7.914 0.000 14.467) 16.490 14.734 ( -1.663 0.000 -0.078) 1.664 14.734 ( 1.663 -0.000 0.078) 1.664 14.885 ( -1.743 0.000 0.323) 1.773 14.885 ( 1.743 -0.000 -0.323) 1.773 15.283 ( -1.551 0.000 -4.483) 4.743 15.283 ( 1.551 -0.000 4.483) 4.743 15.651 ( 13.742 -0.000 -8.271) 16.039 15.651 ( -13.742 0.000 8.271) 16.039 15.802 ( -0.336 0.000 -0.798) 0.866 15.802 ( 0.336 -0.000 0.798) 0.866 16.508 ( -16.541 0.000 -1.292) 16.592 16.508 ( 16.541 -0.000 1.292) 16.592 16.870 ( -18.899 0.000 -0.911) 18.921 16.870 ( 18.899 -0.000 0.911) 18.921 17.317 ( -4.455 0.000 0.916) 4.548 17.317 ( 4.455 -0.000 -0.916) 4.548 25.506 ( 0.426 -0.000 -0.376) 0.568 25.506 ( -0.426 0.000 0.376) 0.568 25.716 ( 1.628 -0.000 -0.853) 1.838 25.716 ( -1.628 0.000 0.853) 1.838 26.073 ( 2.535 -0.000 -1.943) 3.194 26.073 ( -2.535 0.000 1.943) 3.194 26.336 ( 1.001 -0.000 -1.630) 1.913 26.336 ( -1.001 0.000 1.630) 1.913 27.220 ( -8.800 0.000 -9.842) 13.203 27.220 ( 8.800 -0.000 9.842) 13.203 28.104 ( -4.366 0.000 1.427) 4.594 28.104 ( 4.366 -0.000 -1.427) 4.594 28.333 ( -17.609 0.000 5.249) 18.374 28.333 ( 17.609 -0.000 -5.249) 18.374 29.277 ( -36.730 0.000 -0.733) 36.737 29.277 ( 36.730 -0.000 0.733) 36.737 ======================= Grid point 249 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -4.125 -14.825 -19.364) 24.734 1.936 ( 4.694 -6.906 -0.168) 8.352 2.167 ( -7.196 -11.495 14.275) 19.690 2.351 ( 20.070 -12.698 -0.868) 23.766 2.455 ( -10.598 -10.700 -9.580) 17.849 2.710 ( 7.579 -10.957 7.306) 15.194 3.006 ( -7.052 -7.718 -32.304) 33.954 3.259 ( -8.156 -9.277 12.465) 17.549 3.410 ( 3.788 -9.184 -7.989) 12.748 3.672 ( 10.929 -6.499 16.869) 21.125 3.801 ( 5.613 -5.410 -5.128) 9.332 3.847 ( -0.784 -6.467 9.910) 11.859 4.121 ( -7.020 2.699 -8.951) 11.691 4.295 ( 4.252 2.338 4.961) 6.939 4.380 ( -7.926 2.749 -1.353) 8.498 4.541 ( 7.345 4.001 -4.150) 9.337 4.636 ( -2.131 0.508 0.132) 2.195 4.751 ( 1.300 -0.549 9.717) 9.819 5.212 ( -5.196 -3.899 7.112) 9.633 5.216 ( 2.571 -2.118 -4.164) 5.333 5.516 ( -2.254 10.963 -5.894) 12.649 5.577 ( -0.327 9.800 3.052) 10.270 5.847 ( -9.235 -5.431 -8.515) 13.685 6.058 ( 4.467 -2.220 8.167) 9.570 6.139 ( -3.416 3.035 -4.839) 6.656 6.156 ( -1.347 0.079 -3.039) 3.325 6.241 ( -3.781 -1.617 3.011) 5.097 6.342 ( 7.216 -0.922 1.973) 7.538 6.445 ( -0.734 1.474 1.569) 2.275 6.480 ( 4.805 1.182 -2.060) 5.360 6.773 ( -5.836 1.749 -3.101) 6.836 6.876 ( 3.916 0.268 -4.003) 5.606 6.966 ( -4.805 -0.674 11.664) 12.634 7.036 ( 15.072 -0.332 -1.215) 15.125 7.402 ( -9.208 4.596 -1.338) 10.378 7.567 ( -4.346 -2.506 6.435) 8.160 7.580 ( 0.573 11.197 -5.406) 12.447 7.800 ( 11.589 7.673 4.722) 14.679 8.129 ( -2.622 -5.502 -4.880) 7.808 8.167 ( -4.138 -2.414 4.792) 6.776 8.764 ( -0.937 -2.023 -2.079) 3.048 8.812 ( 1.664 -2.839 3.452) 4.769 9.127 ( -0.093 -4.331 -1.816) 4.697 9.176 ( 1.691 -5.769 4.591) 7.564 9.430 ( -2.309 -0.498 -4.069) 4.705 9.478 ( 0.424 -0.690 1.469) 1.677 9.875 ( -5.573 1.998 -1.436) 6.092 9.936 ( 0.778 3.980 -0.340) 4.070 10.278 ( -8.190 -0.846 -0.640) 8.258 10.441 ( 11.011 -3.258 -0.574) 11.497 10.489 ( 1.790 -3.359 -5.105) 6.367 10.546 ( 1.247 -2.932 6.053) 6.840 11.084 ( -13.084 -0.204 3.955) 13.670 11.221 ( 9.438 -2.040 -4.771) 10.770 11.427 ( 1.082 -1.459 -8.093) 8.295 11.495 ( 0.287 -0.809 6.173) 6.232 11.838 ( -3.574 2.539 -3.154) 5.401 11.889 ( 2.591 0.135 -1.629) 3.063 11.904 ( -3.335 1.067 1.527) 3.820 12.007 ( 7.079 2.638 5.153) 9.145 12.519 ( -6.044 4.787 -5.793) 9.644 12.598 ( -0.161 4.101 -0.072) 4.104 13.524 ( -10.854 4.790 -1.879) 12.012 13.572 ( -6.317 2.968 0.456) 6.994 14.737 ( -0.229 -1.526 -0.822) 1.749 14.765 ( 3.910 -1.099 -0.666) 4.116 14.905 ( -0.715 -1.814 0.351) 1.981 14.966 ( 4.292 -4.623 3.034) 7.000 15.163 ( -0.463 7.957 -3.348) 8.645 15.240 ( 3.392 8.193 3.039) 9.374 15.526 ( -9.270 4.469 2.792) 10.663 15.628 ( 6.003 5.991 -0.844) 8.524 15.836 ( -5.086 -4.246 -1.596) 6.815 15.904 ( 3.156 -6.192 1.148) 7.044 16.372 ( -10.707 1.259 -4.598) 11.720 16.618 ( 15.195 4.323 1.764) 15.896 16.750 ( -15.113 -2.431 1.569) 15.388 17.031 ( 14.775 -1.114 7.059) 16.413 17.307 ( 2.286 0.236 -2.529) 3.418 17.368 ( 5.135 -1.364 0.976) 5.402 25.513 ( -0.382 -1.149 -0.127) 1.218 25.518 ( 0.561 -1.360 -0.633) 1.602 25.724 ( -1.486 -1.528 1.170) 2.432 25.741 ( 1.364 -1.618 0.228) 2.128 26.032 ( -2.992 2.502 -3.196) 5.042 26.076 ( 1.322 0.169 -1.235) 1.817 26.344 ( 1.475 -0.561 1.206) 1.986 26.354 ( 1.352 -0.404 3.623) 3.889 27.090 ( -7.952 2.290 -9.608) 12.681 27.332 ( 9.691 1.521 11.820) 15.360 28.087 ( -3.808 -1.662 0.870) 4.245 28.120 ( -1.674 0.473 2.718) 3.227 28.314 ( -10.614 -7.929 1.804) 13.371 28.535 ( 15.506 -7.825 2.797) 17.592 28.930 ( -32.716 4.212 -9.001) 34.192 29.468 ( 30.870 7.483 -4.059) 32.022 ======================= Grid point 250 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 1.035 -18.337 -2.978) 18.606 2.112 ( 7.106 -12.355 -10.313) 17.592 2.421 ( 5.674 -11.548 6.466) 14.399 2.557 ( -8.829 -16.131 -12.345) 22.149 2.658 ( 8.098 -7.460 7.041) 13.069 2.927 ( -5.505 -17.397 -24.330) 30.412 3.127 ( 9.633 -14.374 -0.761) 17.320 3.445 ( -5.372 -10.774 8.903) 14.973 3.601 ( -0.113 -13.289 -2.813) 13.584 3.720 ( -7.093 -1.967 -1.843) 7.588 3.858 ( -2.995 3.424 -6.019) 7.545 4.068 ( 2.651 -7.417 4.076) 8.869 4.107 ( -2.234 -6.494 3.162) 7.560 4.276 ( -0.647 1.818 3.080) 3.634 4.382 ( 8.476 -3.352 0.648) 9.138 4.532 ( 2.119 -1.105 4.011) 4.669 4.619 ( 1.577 2.593 5.396) 6.191 4.801 ( 2.085 -0.563 5.149) 5.583 5.151 ( -3.580 7.779 -6.501) 10.751 5.253 ( 0.982 -0.902 -0.904) 1.611 5.369 ( 2.945 5.093 -1.452) 6.059 5.500 ( -3.706 -3.933 6.259) 8.269 5.811 ( -4.305 0.060 -6.341) 7.665 6.015 ( -1.858 5.210 0.184) 5.534 6.090 ( -4.289 2.133 -1.021) 4.897 6.127 ( -4.011 -0.473 -3.385) 5.269 6.234 ( 4.045 2.715 1.629) 5.137 6.367 ( -0.132 0.527 2.669) 2.724 6.473 ( 3.909 1.159 -3.108) 5.127 6.490 ( -2.136 -3.292 2.174) 4.486 6.706 ( 0.165 1.302 -5.502) 5.656 6.900 ( 2.763 -1.199 0.593) 3.070 6.987 ( -4.649 -1.230 7.354) 8.787 7.084 ( 0.598 3.492 -2.560) 4.371 7.287 ( -2.856 2.962 4.397) 6.022 7.446 ( 6.797 3.154 -2.405) 7.870 7.601 ( -0.291 0.407 5.901) 5.922 7.796 ( 9.493 3.035 7.647) 12.562 8.162 ( -4.575 -1.793 -1.485) 5.133 8.217 ( -1.749 -3.457 1.032) 4.009 8.784 ( -2.902 -2.484 0.669) 3.878 8.902 ( 3.775 -3.359 2.185) 5.505 9.164 ( -4.764 -0.872 1.194) 4.989 9.312 ( 1.030 -1.830 0.925) 2.295 9.382 ( -3.206 -2.666 -4.255) 5.957 9.436 ( -0.862 2.982 0.667) 3.175 9.835 ( -3.723 3.516 -1.786) 5.423 9.878 ( 1.085 -2.660 -3.244) 4.333 10.225 ( -8.575 -0.850 0.587) 8.637 10.504 ( 3.466 -2.674 -5.732) 7.212 10.646 ( 14.577 -5.278 0.930) 15.531 10.667 ( 2.189 -6.344 6.271) 9.185 10.996 ( -13.273 -0.104 1.882) 13.406 11.302 ( 5.037 -2.141 -2.659) 6.085 11.438 ( 3.568 -2.199 -6.441) 7.685 11.537 ( 0.082 -1.462 2.307) 2.732 11.738 ( -4.480 3.360 -1.274) 5.743 11.867 ( -1.024 2.245 3.842) 4.567 11.918 ( 2.915 -1.753 -3.552) 4.918 12.032 ( 7.228 4.166 6.148) 10.363 12.318 ( -4.060 9.275 -9.355) 13.785 12.505 ( -1.740 5.906 0.958) 6.231 13.303 ( -18.188 6.767 -0.831) 19.424 13.425 ( -5.878 7.164 -5.981) 11.030 14.758 ( 0.634 0.969 -1.155) 1.635 14.788 ( 3.547 1.781 -3.822) 5.510 14.883 ( -6.122 -1.532 2.249) 6.699 15.041 ( -1.471 -3.768 5.121) 6.526 15.113 ( 2.381 6.252 3.673) 7.632 15.209 ( 12.857 -1.078 -0.780) 12.925 15.417 ( -5.428 2.605 -0.745) 6.066 15.570 ( 3.138 5.304 1.110) 6.262 15.816 ( -8.521 -1.017 -3.267) 9.183 16.005 ( 1.437 -2.779 1.000) 3.285 16.294 ( -3.331 -1.110 -3.398) 4.886 16.570 ( 2.161 7.796 1.672) 8.261 16.763 ( -1.213 -3.370 2.459) 4.344 17.183 ( 9.161 -0.504 9.394) 13.131 17.299 ( 5.767 2.492 -5.391) 8.278 17.438 ( 3.288 -1.434 3.626) 5.100 25.538 ( 0.172 -2.175 -0.286) 2.200 25.552 ( 0.746 -2.300 -0.335) 2.441 25.745 ( -1.380 -1.548 0.501) 2.133 25.780 ( 0.278 -1.464 1.028) 1.810 25.922 ( -2.665 4.361 -6.925) 8.607 26.081 ( 0.999 -0.157 -0.301) 1.055 26.391 ( 2.362 -1.121 3.389) 4.280 26.405 ( 1.505 -1.728 6.405) 6.803 26.940 ( -6.021 2.831 -10.499) 12.430 27.408 ( 9.647 6.045 11.798) 16.394 28.061 ( -9.388 1.089 -3.832) 10.198 28.124 ( -5.005 -4.634 5.579) 8.812 28.425 ( -6.285 -12.047 -0.275) 13.590 28.556 ( -22.818 -0.142 -8.445) 24.331 28.873 ( 15.545 -6.721 5.142) 17.699 29.482 ( 23.119 12.594 -5.132) 26.822 ======================= Grid point 251 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 6.228 -6.875 -2.422) 9.588 2.420 ( 4.925 -21.470 -6.964) 23.102 2.644 ( 2.792 -4.950 9.119) 10.745 2.672 ( 0.262 -9.304 -6.776) 11.513 2.881 ( 4.247 -12.267 -0.527) 12.992 3.036 ( -5.419 -13.831 -20.983) 25.708 3.411 ( 9.529 -5.638 -0.449) 11.081 3.475 ( -3.954 0.713 -1.675) 4.353 3.674 ( -10.031 -0.048 -0.870) 10.069 3.731 ( -2.051 -5.334 1.781) 5.985 3.880 ( -1.501 -7.565 2.256) 8.036 4.099 ( -3.496 1.022 -6.752) 7.672 4.150 ( -5.155 -0.189 3.038) 5.987 4.273 ( -3.420 -1.737 11.305) 11.938 4.368 ( -4.803 7.497 3.165) 9.450 4.628 ( 1.700 1.909 6.597) 7.075 4.761 ( 11.446 -10.634 4.415) 16.235 4.916 ( 4.948 -3.867 -2.650) 6.817 5.031 ( 4.557 -2.761 -4.428) 6.928 5.202 ( 3.086 4.206 0.652) 5.258 5.423 ( 5.751 -5.704 -1.953) 8.332 5.585 ( -6.108 -4.901 0.685) 7.861 5.688 ( -1.886 7.052 -6.786) 9.967 5.950 ( 0.333 0.400 -5.271) 5.297 5.984 ( -4.538 6.380 5.320) 9.466 6.109 ( 1.710 -1.306 -1.623) 2.695 6.231 ( 0.997 0.843 -1.256) 1.812 6.387 ( -4.898 -2.043 1.349) 5.476 6.451 ( 1.472 -0.168 1.339) 1.997 6.525 ( -6.394 -2.796 0.497) 6.996 6.687 ( 2.019 -2.341 -7.100) 7.744 6.876 ( -3.127 6.981 -0.707) 7.682 7.018 ( -0.970 -5.605 2.426) 6.184 7.074 ( 1.328 -1.083 10.513) 10.652 7.271 ( 3.349 2.424 2.181) 4.674 7.422 ( -2.594 1.886 2.132) 3.851 7.727 ( 8.950 -7.737 -0.229) 11.833 7.862 ( 3.120 1.687 7.608) 8.394 8.148 ( -1.287 -0.988 1.124) 1.974 8.205 ( -0.713 3.834 -0.448) 3.925 8.801 ( -4.796 -2.847 0.413) 5.592 8.955 ( 1.749 4.600 2.336) 5.448 9.098 ( -6.681 -0.847 1.261) 6.852 9.205 ( 0.257 7.933 -5.609) 9.719 9.365 ( -3.241 -0.172 -0.224) 3.253 9.564 ( 2.491 -9.471 2.859) 10.202 9.724 ( -4.459 2.676 -3.959) 6.535 9.937 ( 2.849 -3.261 -3.750) 5.728 10.176 ( -7.333 0.165 1.168) 7.427 10.552 ( 3.392 -2.671 -4.429) 6.185 10.818 ( 10.068 -3.523 -0.260) 10.670 10.839 ( 8.905 -3.376 5.551) 11.023 10.918 ( -11.782 -1.801 1.471) 12.010 11.333 ( 0.733 -0.229 1.806) 1.962 11.468 ( 1.239 -0.008 -5.615) 5.750 11.567 ( 3.286 -1.733 -0.065) 3.715 11.686 ( -5.577 -1.820 -1.258) 6.000 11.870 ( 1.145 -1.332 3.591) 3.998 11.930 ( -0.163 -0.034 -5.537) 5.540 12.036 ( 3.453 4.778 4.959) 7.703 12.143 ( 5.327 5.128 -0.820) 7.440 12.388 ( 0.259 7.965 -0.281) 7.974 13.023 ( -17.788 8.775 -2.977) 20.057 13.219 ( -5.416 7.146 -7.171) 11.481 14.686 ( -0.017 2.627 -1.058) 2.832 14.798 ( -2.700 -3.142 -4.180) 5.885 14.915 ( 2.332 -0.597 1.353) 2.761 15.039 ( -1.956 3.370 5.599) 6.821 15.172 ( 2.607 -6.423 5.835) 9.061 15.297 ( 7.388 1.772 -1.125) 7.680 15.349 ( -2.111 0.331 -2.358) 3.183 15.520 ( 2.034 3.300 0.262) 3.885 15.722 ( -6.241 2.037 -5.524) 8.580 16.036 ( -1.465 0.024 2.988) 3.328 16.295 ( -3.217 -1.892 1.299) 3.952 16.471 ( 2.728 5.660 -2.162) 6.645 16.836 ( 1.989 -3.302 2.722) 4.718 17.253 ( 10.503 5.999 2.050) 12.268 17.278 ( -2.074 -1.489 0.814) 2.680 17.492 ( 1.707 -0.733 2.981) 3.512 25.583 ( 0.906 -2.662 -0.291) 2.827 25.599 ( 0.563 -2.625 0.502) 2.731 25.749 ( -1.127 -0.067 -1.379) 1.782 25.797 ( -1.130 0.136 1.230) 1.676 25.805 ( -1.141 3.117 -5.560) 6.476 26.092 ( 0.791 -0.327 0.303) 0.908 26.438 ( 2.689 -0.066 3.610) 4.502 26.483 ( 0.001 -2.352 7.316) 7.685 26.813 ( -3.451 1.728 -10.675) 11.351 27.396 ( 6.227 8.050 8.845) 13.484 27.929 ( -13.224 -0.806 -7.447) 15.198 28.207 ( -3.065 -4.869 6.015) 8.324 28.416 ( -7.724 -1.333 -5.841) 9.775 28.602 ( -4.523 -13.430 -0.035) 14.171 29.086 ( 9.870 -1.893 5.317) 11.369 29.391 ( 15.031 11.973 -3.653) 19.561 ======================= Grid point 252 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 2.703 -2.676 -2.213) 4.400 2.647 ( 1.298 -4.929 -2.683) 5.761 2.741 ( 1.112 -2.700 1.015) 3.091 2.870 ( 1.963 -12.030 4.645) 13.044 3.023 ( 5.686 2.665 -0.709) 6.320 3.088 ( -5.549 -6.346 -10.665) 13.594 3.362 ( -1.055 -1.820 -3.201) 3.831 3.599 ( -0.875 -1.428 0.567) 1.768 3.641 ( 1.756 -3.890 0.835) 4.349 3.723 ( -1.174 4.609 -0.111) 4.758 3.950 ( -0.925 -1.814 1.626) 2.605 4.010 ( -2.268 4.208 -0.202) 4.784 4.105 ( -7.301 -2.183 -1.983) 7.875 4.162 ( -0.871 7.639 5.123) 9.239 4.431 ( -1.186 -5.697 1.823) 6.098 4.654 ( 0.697 -0.348 4.802) 4.865 4.912 ( 1.405 -0.201 -1.262) 1.899 4.947 ( 4.173 -2.224 -0.238) 4.735 5.069 ( 0.092 0.819 -1.155) 1.419 5.320 ( 8.870 -1.053 -0.909) 8.978 5.496 ( 1.598 -0.834 10.712) 10.862 5.575 ( -1.186 1.840 -3.068) 3.768 5.604 ( -3.577 -5.696 -10.960) 12.859 5.897 ( -2.494 0.106 -0.907) 2.656 5.968 ( 4.047 -0.880 -0.185) 4.146 6.117 ( 0.757 1.905 -4.932) 5.341 6.227 ( -1.266 -0.634 4.609) 4.822 6.367 ( -2.370 0.165 1.364) 2.739 6.424 ( -3.280 1.975 -3.492) 5.182 6.567 ( -0.411 -2.795 3.522) 4.515 6.714 ( -1.991 -3.291 -9.111) 9.890 6.762 ( 0.520 4.411 6.848) 8.162 7.129 ( 1.554 -4.379 1.066) 4.767 7.170 ( -1.024 -3.864 8.439) 9.338 7.262 ( 4.267 2.752 -2.928) 5.861 7.374 ( -3.076 2.101 1.376) 3.971 7.838 ( -2.055 0.429 2.025) 2.917 7.934 ( 7.669 -7.041 -1.806) 10.566 8.094 ( -2.430 7.421 0.078) 7.809 8.192 ( 0.985 -1.626 2.552) 3.182 8.814 ( -2.839 -2.149 -0.220) 3.567 8.839 ( -1.433 5.287 0.431) 5.495 9.063 ( -0.449 5.080 -1.559) 5.333 9.129 ( -0.266 -2.070 0.700) 2.202 9.343 ( -1.536 0.228 -0.712) 1.708 9.659 ( -1.483 0.493 -2.325) 2.801 9.718 ( 0.587 -4.878 1.957) 5.288 9.993 ( 3.880 -2.277 -2.954) 5.382 10.112 ( -5.186 2.026 1.497) 5.766 10.590 ( 1.439 -1.115 -1.604) 2.426 10.884 ( -8.724 -3.955 0.970) 9.628 10.895 ( 11.842 3.699 -2.863) 12.732 10.949 ( 0.290 -1.836 3.662) 4.107 11.350 ( 0.640 0.632 1.517) 1.764 11.455 ( 0.553 -1.244 3.288) 3.559 11.607 ( -0.245 1.940 -7.543) 7.792 11.639 ( -2.355 -1.378 -0.646) 2.804 11.893 ( -0.588 0.298 1.337) 1.491 11.989 ( 2.587 -3.033 -1.297) 4.192 12.017 ( -1.827 -6.753 1.796) 7.223 12.178 ( 7.841 7.003 6.368) 12.291 12.250 ( 1.454 4.773 -2.570) 5.612 12.755 ( -10.357 5.679 -3.554) 12.335 13.075 ( -2.609 2.699 -2.922) 4.757 14.678 ( 0.841 -0.498 -0.289) 1.019 14.803 ( -3.277 -2.516 -2.732) 4.953 14.919 ( 3.226 3.075 1.486) 4.698 15.023 ( -1.710 -0.212 2.628) 3.142 15.271 ( 0.577 1.175 -1.097) 1.708 15.326 ( 2.150 -1.927 3.920) 4.868 15.361 ( 1.208 -4.638 0.704) 4.844 15.476 ( 0.114 3.543 -2.780) 4.505 15.625 ( -2.202 2.073 -3.189) 4.395 16.018 ( -1.165 1.413 1.721) 2.513 16.326 ( -4.150 -3.555 4.632) 7.164 16.400 ( 3.703 4.141 -4.769) 7.322 16.907 ( 1.549 -1.678 1.008) 2.496 17.237 ( 4.439 1.804 -1.516) 5.026 17.281 ( -2.111 0.600 2.752) 3.520 17.518 ( 0.543 -0.229 0.994) 1.155 25.629 ( 0.906 -1.880 -0.197) 2.096 25.642 ( -0.068 -1.364 1.095) 1.750 25.709 ( -0.433 1.536 -2.880) 3.292 25.753 ( -0.393 0.632 -0.851) 1.131 25.793 ( -0.675 0.337 0.679) 1.015 26.103 ( 0.323 -0.147 0.228) 0.422 26.465 ( 1.283 0.177 1.447) 1.942 26.541 ( -0.572 -1.045 4.659) 4.809 26.733 ( -0.962 0.639 -6.095) 6.203 27.356 ( 1.849 3.374 3.328) 5.087 27.845 ( -5.039 -0.827 -3.319) 6.090 28.271 ( -1.088 -1.755 2.963) 3.612 28.384 ( -1.617 -0.841 -2.521) 3.111 28.780 ( -3.568 -9.857 1.162) 10.547 29.098 ( 5.942 7.111 -0.806) 9.302 29.345 ( 4.378 1.932 0.453) 4.807 ======================= Grid point 258 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -6.798 0.000 -26.637) 27.490 1.881 ( 2.191 -0.000 -9.604) 9.851 2.101 ( -5.451 0.000 24.501) 25.100 2.169 ( -4.512 0.000 -32.345) 32.658 2.447 ( 17.967 -0.000 8.538) 19.893 2.732 ( 8.463 -0.000 4.526) 9.597 2.743 ( 2.468 -0.000 -29.027) 29.132 3.129 ( -11.762 0.000 11.043) 16.134 3.382 ( 11.760 -0.000 -9.065) 14.848 3.751 ( 0.744 -0.000 -5.790) 5.837 3.822 ( -1.987 0.000 13.794) 13.936 3.859 ( 17.623 -0.000 19.886) 26.571 4.038 ( -8.542 0.000 -9.501) 12.776 4.287 ( -9.770 0.000 -2.759) 10.152 4.398 ( 3.066 -0.000 4.822) 5.715 4.500 ( -0.793 0.000 -16.631) 16.650 4.726 ( 3.673 -0.000 9.668) 10.342 4.795 ( -0.772 0.000 10.221) 10.251 5.155 ( -8.800 0.000 11.394) 14.397 5.209 ( 5.002 -0.000 -5.070) 7.123 5.558 ( -15.508 0.000 -6.014) 16.633 5.659 ( 2.812 -0.000 -5.358) 6.051 5.699 ( -1.335 0.000 -2.965) 3.252 6.012 ( -6.214 0.000 -1.886) 6.494 6.120 ( -2.302 0.000 -6.316) 6.722 6.198 ( 3.793 -0.000 5.239) 6.468 6.212 ( -0.416 0.000 1.950) 1.993 6.401 ( 7.259 -0.000 4.470) 8.525 6.485 ( -0.412 0.000 4.744) 4.762 6.524 ( 8.047 -0.000 -5.752) 9.891 6.736 ( -5.389 0.000 -0.356) 5.401 6.865 ( 2.799 -0.000 -7.506) 8.011 7.009 ( -3.293 0.000 15.719) 16.061 7.187 ( 19.702 -0.000 1.201) 19.738 7.396 ( -6.901 0.000 -1.531) 7.069 7.445 ( -11.840 0.000 -0.059) 11.840 7.750 ( 5.077 -0.000 2.060) 5.479 7.908 ( 3.144 -0.000 1.007) 3.301 8.055 ( -0.739 0.000 -0.514) 0.900 8.122 ( -7.614 0.000 4.388) 8.788 8.711 ( -0.956 0.000 -4.828) 4.922 8.815 ( -0.048 0.000 7.052) 7.052 9.099 ( 3.575 -0.000 -0.345) 3.591 9.176 ( 3.393 -0.000 5.313) 6.304 9.391 ( -2.818 0.000 -4.154) 5.020 9.473 ( 2.308 -0.000 0.002) 2.308 9.832 ( -10.661 0.000 1.438) 10.757 9.960 ( -0.622 0.000 -2.639) 2.712 10.221 ( -5.376 0.000 -3.556) 6.445 10.453 ( 4.773 -0.000 -0.966) 4.870 10.453 ( 3.325 -0.000 -5.338) 6.289 10.561 ( 0.785 -0.000 5.237) 5.295 11.024 ( -8.744 0.000 5.865) 10.529 11.236 ( 7.958 -0.000 -7.168) 10.710 11.383 ( 2.124 -0.000 -8.643) 8.900 11.525 ( 0.844 -0.000 5.779) 5.840 11.812 ( -3.628 0.000 -4.650) 5.898 11.884 ( -0.253 0.000 -0.379) 0.456 11.913 ( -0.728 0.000 1.856) 1.994 12.121 ( 8.791 -0.000 5.893) 10.583 12.467 ( -9.410 0.000 -4.925) 10.621 12.596 ( -3.713 0.000 -7.295) 8.186 13.449 ( -28.021 0.000 7.950) 29.127 13.513 ( -2.300 0.000 -10.367) 10.619 14.707 ( -1.669 0.000 -1.631) 2.334 14.777 ( 3.063 -0.000 0.253) 3.073 14.920 ( 5.795 -0.000 -1.536) 5.995 14.986 ( 6.605 -0.000 2.911) 7.218 15.248 ( 5.379 -0.000 -3.261) 6.291 15.315 ( -4.509 0.000 3.831) 5.917 15.525 ( -11.246 0.000 8.496) 14.094 15.701 ( 0.649 -0.000 -9.529) 9.551 15.790 ( -1.401 0.000 1.814) 2.292 15.852 ( 4.928 -0.000 5.007) 7.026 16.295 ( -6.446 0.000 -4.100) 7.639 16.626 ( -12.880 0.000 3.312) 13.299 16.794 ( 19.057 -0.000 -2.057) 19.168 17.099 ( -2.939 0.000 10.480) 10.885 17.398 ( 6.192 -0.000 -1.426) 6.354 17.414 ( 19.186 -0.000 3.833) 19.565 25.501 ( -0.266 0.000 -0.049) 0.270 25.504 ( 0.605 -0.000 -1.463) 1.583 25.707 ( -1.318 0.000 1.683) 2.137 25.739 ( 1.034 -0.000 0.856) 1.343 26.021 ( -3.792 0.000 -1.989) 4.282 26.068 ( 0.901 -0.000 -3.519) 3.632 26.371 ( 1.618 -0.000 3.333) 3.705 26.371 ( 2.672 -0.000 1.858) 3.255 27.019 ( -6.765 0.000 -6.318) 9.256 27.464 ( 8.639 -0.000 11.193) 14.139 28.048 ( -6.754 0.000 6.222) 9.183 28.142 ( 1.830 -0.000 -0.696) 1.958 28.193 ( -9.327 0.000 6.565) 11.406 28.482 ( -25.764 0.000 -8.399) 27.099 28.770 ( 10.644 -0.000 -2.283) 10.887 29.727 ( 27.671 -0.000 -10.145) 29.472 ======================= Grid point 259 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -1.855 -25.890 -17.870) 31.513 1.949 ( 4.341 -10.216 -18.062) 21.200 2.090 ( -10.578 -19.290 -25.434) 33.629 2.289 ( 0.141 -9.947 17.303) 19.959 2.667 ( 21.021 -2.159 -26.363) 33.787 2.691 ( 5.159 -3.235 17.000) 18.058 2.928 ( 7.035 -14.561 -6.048) 17.265 3.206 ( -7.021 -10.791 10.566) 16.655 3.475 ( 8.634 -5.425 -5.681) 11.673 3.696 ( -4.182 1.449 -3.495) 5.640 3.855 ( -7.989 2.719 3.571) 9.163 3.961 ( -0.924 -3.064 -5.022) 5.955 4.090 ( 4.524 -2.796 12.436) 13.525 4.270 ( 7.240 -6.240 0.818) 9.593 4.375 ( -4.763 1.797 -2.536) 5.688 4.498 ( 2.456 -4.123 -2.173) 5.268 4.744 ( -0.015 3.597 9.103) 9.787 4.829 ( -1.909 0.391 7.314) 7.569 5.144 ( -8.796 0.934 2.591) 9.217 5.234 ( 4.687 -1.026 -4.191) 6.370 5.403 ( -9.070 0.218 1.778) 9.245 5.569 ( 0.805 9.435 -4.391) 10.438 5.705 ( -0.034 -3.955 -5.922) 7.122 5.958 ( -7.153 -0.931 -5.584) 9.122 6.078 ( -0.819 -1.186 -4.117) 4.362 6.197 ( 2.284 4.869 3.039) 6.177 6.263 ( 1.608 -1.803 3.987) 4.662 6.451 ( 4.374 4.187 2.707) 6.632 6.468 ( -3.494 1.814 1.903) 4.372 6.534 ( 5.783 2.734 -2.755) 6.964 6.709 ( -0.189 0.091 -1.181) 1.200 6.850 ( -2.650 -1.792 -3.745) 4.925 7.026 ( -1.550 3.504 9.537) 10.278 7.218 ( 2.759 7.428 4.412) 9.069 7.318 ( -2.577 2.833 0.037) 3.830 7.472 ( 8.195 -5.798 -2.663) 10.386 7.680 ( -3.174 6.080 7.663) 10.284 7.964 ( -2.431 4.039 -2.345) 5.265 8.061 ( 5.270 -5.162 3.981) 8.383 8.121 ( -5.768 -3.438 4.766) 8.234 8.730 ( -1.944 -3.646 -1.934) 4.562 8.880 ( 1.405 -3.508 6.178) 7.242 9.139 ( 1.343 -0.127 1.212) 1.814 9.251 ( 2.927 -3.819 3.449) 5.920 9.327 ( -4.902 1.266 -5.680) 7.609 9.492 ( 0.907 1.672 0.948) 2.125 9.776 ( -4.459 -2.677 -1.952) 5.555 9.907 ( -1.036 4.252 -3.046) 5.332 10.145 ( -8.557 -0.252 -2.097) 8.814 10.473 ( 4.823 -1.801 -4.764) 7.014 10.554 ( 0.069 -9.919 -1.734) 10.070 10.619 ( -1.392 -4.838 4.086) 6.484 10.996 ( 1.434 3.058 5.759) 6.676 11.285 ( 6.135 -2.558 -5.455) 8.599 11.383 ( 3.131 -2.489 -8.196) 9.120 11.551 ( 0.610 0.669 3.966) 4.068 11.745 ( -4.460 2.105 -2.087) 5.355 11.882 ( -0.009 -0.445 -2.327) 2.369 11.915 ( -0.259 0.590 3.464) 3.524 12.192 ( 9.285 3.192 4.972) 11.006 12.340 ( -6.623 3.695 -8.545) 11.425 12.505 ( -6.811 0.338 -7.531) 10.160 13.210 ( -28.039 3.498 1.464) 28.295 13.426 ( -5.110 2.987 -7.639) 9.664 14.704 ( -1.564 -2.219 -2.835) 3.925 14.822 ( 2.691 -2.224 1.181) 3.685 14.939 ( 3.466 6.783 -1.320) 7.730 15.000 ( -0.920 -0.701 2.091) 2.390 15.234 ( 2.645 2.361 3.827) 5.217 15.322 ( 7.535 1.898 0.394) 7.780 15.420 ( -7.058 5.079 3.945) 9.549 15.668 ( -0.994 0.364 -5.339) 5.443 15.734 ( -3.181 2.757 2.181) 4.741 15.975 ( 3.367 -3.677 2.422) 5.543 16.236 ( -2.172 -0.253 -3.131) 3.819 16.580 ( -9.346 -1.769 2.493) 9.833 16.865 ( 14.283 5.557 0.515) 15.334 17.163 ( -1.708 -4.922 5.980) 7.931 17.439 ( 6.411 -0.067 -2.665) 6.943 17.545 ( 14.570 6.152 11.798) 19.731 25.509 ( 0.516 -1.304 -0.607) 1.528 25.519 ( 0.597 -1.797 -0.728) 2.029 25.715 ( -1.383 -1.103 1.248) 2.165 25.761 ( -0.088 -1.337 1.198) 1.798 25.943 ( -2.725 3.795 -4.917) 6.783 26.065 ( -0.036 -0.817 -2.023) 2.182 26.397 ( 1.675 -0.804 2.909) 3.452 26.430 ( 2.361 -1.887 4.304) 5.259 26.908 ( -5.159 3.692 -6.598) 9.153 27.599 ( 8.777 -0.872 11.739) 14.683 27.984 ( -21.063 7.717 -10.467) 24.754 28.050 ( -5.281 -2.249 6.985) 9.041 28.225 ( -3.628 -7.189 0.274) 8.057 28.292 ( -15.633 -7.101 -6.172) 18.246 28.981 ( 21.257 -2.097 11.770) 24.389 29.794 ( 22.219 8.125 -12.235) 26.635 ======================= Grid point 260 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 4.149 -30.738 -6.301) 31.650 2.069 ( 4.609 -15.559 -23.440) 28.509 2.341 ( -3.389 -21.116 -11.320) 24.197 2.543 ( -1.797 -12.669 10.907) 16.814 2.770 ( 7.851 -0.534 1.701) 8.051 2.825 ( 14.108 -7.573 -12.035) 20.031 3.263 ( 1.897 -19.209 -0.986) 19.328 3.382 ( -4.242 -7.250 3.598) 9.138 3.537 ( -5.701 -2.221 -7.635) 9.784 3.695 ( 0.859 -3.056 6.819) 7.522 3.771 ( -2.493 -2.931 0.113) 3.850 3.958 ( -7.589 -4.282 -6.317) 10.763 4.173 ( 4.082 1.891 -3.505) 5.703 4.294 ( -6.928 0.487 15.046) 16.572 4.471 ( -1.599 4.117 -1.913) 4.814 4.629 ( 7.034 -13.208 9.660) 17.811 4.739 ( 0.220 1.618 5.817) 6.042 4.839 ( 0.242 -3.234 -1.783) 3.701 5.042 ( 0.352 2.849 -1.039) 3.053 5.261 ( 4.387 0.359 -6.529) 7.874 5.410 ( -2.209 -1.877 2.154) 3.611 5.454 ( -0.409 -1.010 -2.557) 2.779 5.707 ( -2.228 -1.405 -9.735) 10.085 5.886 ( -3.577 3.940 -5.612) 7.734 6.102 ( 3.115 -1.986 -4.091) 5.512 6.132 ( 4.018 4.327 6.749) 8.967 6.321 ( -6.614 2.747 2.254) 7.508 6.352 ( 5.301 4.835 3.673) 8.060 6.406 ( -6.466 -0.886 -1.114) 6.621 6.507 ( 1.275 2.976 -0.209) 3.244 6.673 ( 1.412 1.956 -5.720) 6.208 6.901 ( -3.882 -7.090 2.953) 8.605 6.958 ( -1.719 5.334 -0.066) 5.604 7.202 ( 5.952 3.869 14.307) 15.972 7.284 ( -3.695 -0.188 4.293) 5.667 7.532 ( 2.014 7.538 0.439) 7.815 7.664 ( 2.957 -5.424 1.959) 6.481 7.910 ( -0.658 0.237 -1.863) 1.990 8.128 ( 0.218 -1.183 4.777) 4.927 8.205 ( -0.990 -2.921 2.424) 3.923 8.741 ( -4.915 -1.290 1.025) 5.184 9.000 ( 4.629 -4.185 5.049) 8.027 9.092 ( -7.406 5.209 2.291) 9.340 9.242 ( 0.165 0.759 -8.631) 8.665 9.339 ( -1.202 -1.884 1.194) 2.534 9.489 ( 2.968 -1.703 3.865) 5.162 9.757 ( -1.811 4.720 -2.942) 5.850 9.857 ( 1.319 -4.546 -5.105) 6.962 10.095 ( -7.900 -2.214 -2.002) 8.445 10.534 ( 6.568 -2.016 -3.649) 7.780 10.690 ( -11.921 -9.800 0.289) 15.434 10.749 ( 1.961 -8.152 4.432) 9.484 11.029 ( 14.438 2.625 3.413) 15.066 11.346 ( 4.026 -1.898 0.657) 4.499 11.419 ( 2.140 -2.989 -7.553) 8.400 11.553 ( -0.431 0.060 0.297) 0.527 11.662 ( -4.271 2.935 0.443) 5.201 11.866 ( -0.059 0.265 -5.296) 5.303 11.925 ( -1.265 0.583 5.103) 5.290 12.157 ( 1.216 5.061 -6.648) 8.443 12.255 ( 7.319 2.996 3.038) 8.472 12.427 ( -5.481 0.158 -4.495) 7.090 12.946 ( -24.106 3.696 -2.262) 24.493 13.252 ( -6.951 7.444 -7.306) 12.534 14.713 ( -1.358 -2.028 -4.972) 5.539 14.774 ( -0.895 8.369 0.768) 8.452 14.900 ( 1.315 -3.201 3.326) 4.800 15.073 ( 0.334 -3.639 1.628) 4.000 15.181 ( 1.479 5.162 3.961) 6.673 15.327 ( -3.136 1.838 -0.494) 3.668 15.389 ( 7.808 0.579 -0.182) 7.832 15.607 ( 0.807 3.943 -3.521) 5.347 15.683 ( -2.555 1.481 0.169) 2.958 16.025 ( -1.128 -0.963 2.859) 3.221 16.246 ( -1.934 -2.042 0.737) 2.907 16.530 ( -3.722 1.948 -1.641) 4.510 16.895 ( 10.806 2.664 2.999) 11.526 17.247 ( 0.998 -2.383 1.727) 3.108 17.459 ( 7.607 3.249 -2.974) 8.790 17.549 ( 2.491 7.204 12.786) 14.886 25.546 ( 1.340 -2.490 -0.527) 2.877 25.561 ( 0.610 -2.696 0.282) 2.778 25.725 ( -1.606 -0.914 -0.062) 1.849 25.784 ( -1.512 -1.081 1.031) 2.125 25.833 ( -0.412 4.032 -5.301) 6.673 26.072 ( -0.820 -1.255 -1.328) 2.002 26.437 ( -0.330 -1.493 1.708) 2.292 26.504 ( 1.789 -1.828 5.556) 6.117 26.782 ( -2.452 3.092 -6.648) 7.731 27.600 ( -7.010 10.176 -5.027) 13.340 27.765 ( -4.611 -4.785 1.177) 6.749 28.120 ( -3.091 -5.673 7.122) 9.616 28.289 ( -5.708 -4.755 -2.450) 7.822 28.368 ( -3.045 -10.975 1.211) 11.454 29.193 ( 12.659 0.455 12.547) 17.829 29.700 ( 16.276 13.436 -11.790) 24.175 ======================= Grid point 261 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 7.247 -11.279 -12.216) 18.137 2.445 ( 8.870 -16.389 -8.908) 20.655 2.602 ( -6.216 -21.431 2.677) 22.474 2.748 ( -1.881 -9.245 -0.291) 9.439 2.817 ( 0.246 -1.458 2.254) 2.695 3.052 ( 14.850 -9.183 -6.024) 18.470 3.328 ( -5.659 0.790 -2.065) 6.075 3.497 ( -10.548 -4.019 -2.373) 11.534 3.551 ( 2.743 -8.735 3.276) 9.724 3.784 ( 1.465 -2.469 4.846) 5.633 3.893 ( -3.463 -6.871 3.511) 8.458 3.950 ( -3.096 -3.838 -7.786) 9.216 4.101 ( -2.464 4.329 -2.837) 5.732 4.285 ( -6.624 6.925 3.039) 10.053 4.336 ( -2.682 -1.237 8.986) 9.459 4.680 ( -4.094 2.546 4.782) 6.790 4.881 ( -1.814 -3.458 1.900) 4.343 4.924 ( 2.758 -3.171 3.251) 5.314 5.107 ( 7.599 -3.153 -3.910) 9.109 5.328 ( 15.030 -7.174 -5.478) 17.532 5.441 ( -2.904 -4.902 -11.766) 13.074 5.494 ( -0.967 -2.211 0.500) 2.464 5.615 ( 2.661 8.046 -0.899) 8.522 5.775 ( -4.258 -3.677 -6.819) 8.840 6.096 ( -3.772 2.397 -7.321) 8.577 6.150 ( 5.739 4.462 8.036) 10.836 6.234 ( 3.830 -0.417 3.190) 5.002 6.338 ( -3.528 0.523 -2.461) 4.333 6.433 ( -4.705 0.433 4.293) 6.384 6.498 ( 2.761 -3.490 1.495) 4.695 6.647 ( 0.861 -0.776 -4.184) 4.342 6.878 ( -0.292 3.887 6.015) 7.168 7.011 ( -5.035 -8.043 1.698) 9.640 7.244 ( 1.868 3.841 12.373) 13.089 7.279 ( -2.932 1.012 4.722) 5.650 7.446 ( 4.147 4.605 -0.968) 6.273 7.757 ( -2.885 -4.661 -1.868) 5.791 7.917 ( 4.194 -1.548 -3.525) 5.693 8.168 ( -3.681 -0.989 3.345) 5.071 8.178 ( -1.092 4.096 -0.713) 4.299 8.734 ( -5.594 -2.957 1.727) 6.560 8.912 ( -7.665 7.392 -1.435) 10.744 9.114 ( 6.450 0.163 5.067) 8.204 9.204 ( 4.031 2.931 -1.811) 5.302 9.334 ( -1.086 0.006 1.258) 1.662 9.607 ( 1.042 -5.809 1.264) 6.036 9.680 ( 0.377 1.339 1.548) 2.081 9.944 ( 4.780 -5.562 -5.942) 9.439 10.062 ( -6.666 -1.684 -2.850) 7.443 10.586 ( 2.985 -1.051 -2.096) 3.796 10.728 ( -9.638 -5.435 2.006) 11.245 10.894 ( 1.059 -5.254 1.436) 5.549 11.100 ( 13.634 5.232 0.153) 14.604 11.414 ( 2.025 2.329 1.167) 3.299 11.443 ( 3.295 -3.085 3.982) 6.019 11.551 ( -3.063 -1.971 -6.758) 7.677 11.604 ( -1.760 -0.107 1.068) 2.061 11.844 ( -0.081 -3.691 -7.254) 8.139 11.922 ( -2.508 1.105 6.394) 6.956 12.080 ( 2.913 4.122 -4.311) 6.638 12.292 ( 2.103 3.049 4.231) 5.623 12.373 ( 4.484 2.552 -0.539) 5.187 12.696 ( -18.053 3.440 -4.970) 19.038 13.053 ( -7.411 3.744 -5.612) 10.022 14.688 ( 1.047 0.818 -0.481) 1.413 14.718 ( -1.435 -1.187 -3.078) 3.598 14.967 ( 0.171 -1.781 2.796) 3.320 15.044 ( -3.340 3.735 1.725) 5.299 15.244 ( 2.691 -4.089 -0.960) 4.988 15.286 ( -0.874 -0.924 3.619) 3.837 15.406 ( 4.426 2.303 -1.832) 5.315 15.521 ( -0.332 4.252 -4.715) 6.357 15.649 ( 1.693 2.287 0.476) 2.885 16.028 ( -4.152 0.604 3.856) 5.698 16.266 ( -3.683 -2.293 4.523) 6.268 16.460 ( 1.254 2.908 -5.660) 6.486 16.960 ( 9.938 1.713 1.877) 10.258 17.273 ( 1.738 0.401 -0.241) 1.800 17.392 ( 2.759 9.233 3.502) 10.253 17.523 ( -2.276 0.716 3.728) 4.426 25.600 ( 1.566 -2.635 -0.169) 3.070 25.616 ( 0.634 -2.691 1.355) 3.078 25.711 ( -1.034 0.624 -2.129) 2.448 25.757 ( -0.524 1.232 -1.714) 2.175 25.796 ( -0.487 0.220 0.726) 0.902 26.077 ( -1.804 -1.405 -1.961) 3.013 26.445 ( -2.643 -0.779 -1.224) 3.015 26.556 ( 0.944 -0.766 0.909) 1.518 26.728 ( 0.816 0.699 1.119) 1.551 27.373 ( -9.644 3.405 -9.716) 14.107 27.846 ( 5.701 -0.529 7.699) 9.594 28.226 ( -1.671 -4.524 4.823) 6.820 28.321 ( -1.847 -3.983 -0.362) 4.405 28.549 ( -4.046 -12.637 1.959) 13.413 29.267 ( 5.759 5.213 6.476) 10.114 29.516 ( 9.562 13.390 -9.135) 18.819 ======================= Grid point 262 (125/140) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 5.312 -0.160 -2.528) 5.885 2.619 ( 2.431 -6.411 -6.162) 9.218 2.776 ( -7.150 0.710 6.943) 9.991 2.823 ( -3.781 -5.442 -11.540) 13.307 2.943 ( 2.605 -10.340 2.507) 10.954 3.203 ( 5.095 1.582 8.394) 9.945 3.373 ( 4.050 -6.421 -0.917) 7.647 3.498 ( -8.528 -7.018 3.214) 11.503 3.659 ( -3.956 -0.593 3.779) 5.503 3.780 ( 4.639 4.621 1.258) 6.668 3.935 ( -2.545 -2.766 -4.324) 5.729 3.989 ( 2.598 -1.489 1.168) 3.215 4.008 ( -0.451 -3.661 -6.444) 7.426 4.231 ( 5.553 2.734 2.457) 6.659 4.400 ( -6.404 -5.032 1.042) 8.211 4.628 ( -5.502 0.645 -0.369) 5.552 4.894 ( -3.786 1.153 1.422) 4.205 4.963 ( -0.775 0.940 7.331) 7.432 5.127 ( 3.652 3.155 -3.682) 6.070 5.271 ( -7.873 2.716 -9.916) 12.949 5.463 ( 0.836 0.976 -7.995) 8.098 5.529 ( 6.330 -3.021 -4.428) 8.295 5.713 ( 6.984 -3.648 3.186) 8.500 5.822 ( 0.272 -2.009 2.022) 2.863 6.058 ( 0.580 -6.077 -1.894) 6.391 6.124 ( 1.432 6.396 7.475) 9.941 6.231 ( -1.653 2.752 -2.793) 4.255 6.347 ( 2.694 -2.521 -2.665) 4.551 6.451 ( 3.042 -2.125 7.803) 8.640 6.543 ( -1.071 -0.797 -3.484) 3.731 6.668 ( 1.219 -2.697 -3.622) 4.677 6.878 ( 2.823 3.894 12.232) 13.143 7.086 ( -7.332 -6.085 -2.069) 9.750 7.215 ( -5.177 3.475 -0.454) 6.252 7.247 ( 1.083 3.770 6.316) 7.435 7.417 ( 7.314 3.189 -0.915) 8.032 7.776 ( -2.489 -2.996 -5.474) 6.718 7.990 ( 2.032 -4.893 -1.363) 5.471 8.020 ( -7.373 7.892 0.331) 10.806 8.170 ( -3.926 -0.603 -2.671) 4.787 8.779 ( -7.533 -4.193 5.789) 10.385 8.785 ( 1.110 -1.005 -6.162) 6.342 9.104 ( 5.882 6.319 4.922) 9.937 9.227 ( 8.115 2.437 0.440) 8.484 9.353 ( 1.364 -1.063 3.001) 3.464 9.657 ( -0.473 -1.452 1.951) 2.478 9.731 ( -0.500 -2.291 2.289) 3.277 10.001 ( -3.125 1.099 -1.973) 3.856 10.067 ( 6.146 -5.746 -5.362) 9.977 10.594 ( -3.931 -1.025 0.781) 4.136 10.749 ( -6.042 -2.377 2.264) 6.876 10.946 ( 0.320 -0.848 -3.024) 3.157 11.073 ( 9.498 7.511 0.882) 12.141 11.385 ( 2.167 3.498 1.462) 4.367 11.453 ( -0.653 1.061 -4.179) 4.361 11.556 ( -4.049 -3.199 1.901) 5.499 11.676 ( 6.840 -3.222 3.863) 8.491 11.905 ( -3.717 1.221 3.624) 5.333 11.935 ( -3.775 -10.179 -6.269) 12.536 12.005 ( 2.134 3.917 -4.267) 6.173 12.202 ( -3.008 4.658 -1.903) 5.862 12.252 ( -4.645 13.263 1.231) 14.106 12.694 ( 4.407 -10.279 2.097) 11.379 13.007 ( -3.487 -5.205 -1.389) 6.417 14.688 ( -0.510 0.834 1.515) 1.803 14.758 ( 1.199 -5.852 -3.041) 6.703 14.946 ( 0.257 4.814 -1.518) 5.054 15.002 ( -4.142 -1.686 2.671) 5.209 15.246 ( -0.051 0.752 -0.591) 0.958 15.367 ( 1.386 4.190 -2.439) 5.042 15.405 ( 1.130 -3.297 0.191) 3.490 15.427 ( -1.362 0.827 -1.138) 1.958 15.652 ( 4.549 0.522 3.240) 5.609 15.992 ( -4.139 0.135 1.132) 4.293 16.319 ( -3.460 -3.642 6.495) 8.211 16.400 ( 3.803 2.901 -7.163) 8.613 16.977 ( 6.182 4.647 0.176) 7.736 17.254 ( -0.528 6.032 -1.397) 6.214 17.295 ( 0.040 0.822 3.577) 3.670 17.508 ( -2.472 0.199 0.069) 2.481 25.644 ( 0.750 -0.620 0.402) 1.052 25.654 ( 0.367 0.239 0.618) 0.757 25.699 ( 0.641 -1.361 0.616) 1.626 25.744 ( -0.350 -0.492 0.199) 0.636 25.794 ( 0.332 0.083 0.380) 0.511 26.069 ( -2.990 -1.470 -3.476) 4.815 26.425 ( -2.266 -0.530 -2.445) 3.375 26.548 ( 0.304 0.884 -4.787) 4.877 26.772 ( 2.102 -0.802 9.437) 9.702 27.245 ( -7.058 -1.115 -9.600) 11.967 27.947 ( 9.412 0.130 8.520) 12.696 28.270 ( -0.480 -1.071 -0.816) 1.430 28.394 ( 1.616 -3.163 4.224) 5.519 28.725 ( -5.730 -11.322 2.042) 12.853 29.162 ( 3.827 12.123 -1.134) 12.763 29.358 ( 0.075 6.596 -4.323) 7.887 ======================= Grid point 263 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 1.770 6.720 -1.172) 7.048 2.588 ( -6.194 7.679 -6.316) 11.715 2.714 ( -11.003 1.145 13.814) 17.697 2.765 ( 2.736 4.742 -9.624) 11.072 3.039 ( 6.231 4.090 2.460) 7.849 3.277 ( -0.473 -0.382 11.087) 11.104 3.399 ( -3.644 1.043 3.235) 4.983 3.528 ( -3.616 6.950 -1.474) 7.972 3.664 ( 5.644 -6.827 5.559) 10.458 3.832 ( 6.727 -0.528 3.614) 7.654 3.981 ( 0.565 1.676 2.008) 2.676 4.022 ( 3.924 -5.783 -6.457) 9.515 4.129 ( 5.200 -11.467 -8.213) 15.033 4.234 ( 5.621 3.954 -1.501) 7.034 4.426 ( -0.797 -1.198 1.301) 1.939 4.550 ( -5.319 1.852 -2.692) 6.243 4.792 ( -9.268 5.727 0.321) 10.899 4.905 ( -6.723 3.739 -5.111) 9.236 5.067 ( -2.976 2.391 3.231) 5.002 5.161 ( -3.914 2.419 -4.114) 6.173 5.449 ( 4.257 -0.754 -3.139) 5.343 5.641 ( 2.733 -5.068 6.266) 8.509 5.706 ( 0.013 4.142 -2.938) 5.078 5.812 ( -1.444 0.108 -0.549) 1.549 6.080 ( 0.607 3.263 5.582) 6.495 6.149 ( -0.516 2.953 -0.805) 3.104 6.228 ( 6.549 -4.150 1.827) 7.965 6.396 ( 3.077 -2.283 0.127) 3.834 6.468 ( -2.269 3.126 -3.343) 5.109 6.588 ( 5.263 -1.620 1.158) 5.627 6.705 ( -1.220 -2.167 -0.400) 2.518 6.890 ( 3.529 3.524 9.860) 11.049 7.057 ( -2.074 1.172 -9.188) 9.491 7.121 ( 2.310 3.258 -1.856) 4.404 7.191 ( -4.836 2.924 5.036) 7.569 7.462 ( 7.687 -0.153 0.646) 7.715 7.741 ( -9.237 1.884 -8.896) 12.962 7.799 ( -7.931 6.636 -2.040) 10.540 8.107 ( 0.196 -6.918 -0.374) 6.931 8.138 ( -1.970 -1.684 -1.647) 3.071 8.837 ( 0.755 -7.212 -0.960) 7.315 8.863 ( 0.517 -3.242 1.324) 3.540 9.105 ( 4.544 0.548 4.148) 6.177 9.220 ( 5.991 4.117 -0.297) 7.275 9.403 ( 3.337 -0.081 3.132) 4.577 9.632 ( -4.778 3.366 -3.712) 6.923 9.768 ( 3.275 -0.313 6.834) 7.585 9.952 ( -2.996 0.521 -0.989) 3.198 10.193 ( 9.938 -3.693 -3.721) 11.236 10.567 ( -9.540 -0.782 2.590) 9.917 10.719 ( -6.031 1.951 3.396) 7.191 10.883 ( -2.268 4.614 -6.040) 7.932 11.067 ( 12.444 3.774 1.241) 13.063 11.351 ( 2.322 2.350 -0.392) 3.327 11.459 ( -0.653 -1.800 1.494) 2.429 11.542 ( -6.467 -0.451 0.769) 6.528 11.793 ( 7.213 2.459 3.932) 8.575 11.865 ( -4.731 0.697 -0.550) 4.814 11.911 ( -5.604 0.361 -10.199) 11.643 12.004 ( 2.443 -1.130 4.499) 5.243 12.035 ( -3.098 2.659 -2.367) 4.719 12.216 ( -4.636 -8.280 -0.195) 9.492 12.969 ( 11.070 -12.395 2.667) 16.831 13.131 ( -0.072 -9.749 3.238) 10.273 14.682 ( 0.274 0.402 2.074) 2.131 14.830 ( -4.437 -1.970 -3.397) 5.925 14.899 ( 5.389 0.008 1.960) 5.734 15.015 ( -0.126 -1.301 -1.026) 1.661 15.211 ( -5.003 2.357 -0.087) 5.531 15.235 ( -2.650 5.266 -5.452) 8.030 15.401 ( 3.245 1.157 1.133) 3.626 15.475 ( -1.354 -1.621 0.507) 2.172 15.748 ( 6.300 -3.630 5.769) 9.281 15.992 ( -2.572 -3.131 -1.938) 4.491 16.347 ( 2.880 2.241 -2.562) 4.459 16.383 ( -2.668 -2.693 2.301) 4.434 16.919 ( 4.455 6.035 -1.289) 7.611 17.141 ( -7.597 2.132 -0.953) 7.948 17.318 ( 3.356 0.559 1.302) 3.643 17.475 ( -3.200 0.723 -1.615) 3.656 25.622 ( -0.454 2.424 0.498) 2.517 25.633 ( -0.163 2.143 -0.701) 2.261 25.755 ( 0.639 -1.350 2.614) 3.011 25.776 ( 1.127 -2.766 0.765) 3.084 25.809 ( 1.851 -0.750 2.653) 3.321 26.050 ( -3.696 -1.903 -4.646) 6.234 26.406 ( -0.810 0.311 -1.886) 2.076 26.494 ( -0.782 2.204 -5.544) 6.017 26.865 ( 3.171 -1.785 11.184) 11.761 27.197 ( -5.941 -4.478 -9.834) 12.331 28.061 ( 9.674 0.224 7.427) 12.199 28.254 ( 1.065 1.796 -4.137) 4.634 28.496 ( 7.919 -2.733 5.900) 10.246 28.810 ( -1.565 1.357 2.421) 3.186 29.008 ( -4.220 3.352 -0.422) 5.406 29.217 ( -7.744 3.927 -5.565) 10.313 ======================= Grid point 264 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 4.807 10.061 -4.478) 12.016 2.308 ( -13.846 12.606 3.567) 19.062 2.607 ( 3.553 11.559 0.694) 12.112 2.684 ( -5.967 5.373 2.810) 8.507 2.945 ( 10.722 13.686 2.894) 17.625 3.171 ( -12.203 9.784 -2.302) 15.810 3.345 ( 2.996 7.289 14.026) 16.089 3.482 ( -0.063 0.842 -8.369) 8.412 3.830 ( 6.829 -3.528 7.950) 11.059 3.873 ( 4.169 3.315 7.749) 9.403 3.919 ( 5.923 9.660 1.017) 11.377 4.083 ( -2.504 -1.407 -7.455) 7.989 4.207 ( 6.622 1.678 -8.809) 11.148 4.307 ( 4.676 -4.297 -0.610) 6.380 4.322 ( -3.804 10.275 0.690) 10.978 4.511 ( -11.490 4.164 -1.557) 12.320 4.607 ( 0.294 2.161 1.105) 2.445 4.740 ( -9.133 0.530 -7.696) 11.955 5.080 ( -0.064 -3.677 6.916) 7.833 5.143 ( -0.331 -5.163 -5.922) 7.864 5.440 ( -0.336 5.987 12.369) 13.746 5.580 ( 1.031 6.853 -12.873) 14.620 5.791 ( 0.696 -6.904 9.143) 11.478 5.867 ( 1.039 -7.795 -7.998) 11.217 6.102 ( 3.014 -2.748 2.156) 4.614 6.143 ( -0.734 -2.589 2.501) 3.674 6.264 ( 5.311 4.852 1.444) 7.337 6.365 ( -4.380 3.724 -3.005) 6.487 6.468 ( 3.258 -0.621 2.846) 4.370 6.558 ( -1.926 4.140 -3.549) 5.784 6.735 ( 2.457 0.272 7.284) 7.692 6.862 ( -3.695 0.892 -5.093) 6.355 7.023 ( 6.412 0.725 -4.669) 7.965 7.135 ( -8.355 1.755 5.090) 9.940 7.195 ( 12.266 -4.031 3.864) 13.477 7.460 ( -3.223 8.190 -2.968) 9.288 7.548 ( -5.257 -1.660 -0.083) 5.513 7.675 ( -6.985 1.386 -9.673) 12.012 8.184 ( 2.888 -3.194 -0.791) 4.378 8.208 ( -1.489 -4.187 1.232) 4.612 8.876 ( 3.894 3.827 0.381) 5.473 8.916 ( -1.629 0.414 -0.164) 1.689 9.180 ( 5.694 -3.207 -0.521) 6.556 9.244 ( -2.092 -5.128 1.743) 5.806 9.427 ( 3.441 1.268 1.104) 3.830 9.489 ( -3.366 6.053 -1.801) 7.157 9.841 ( 4.474 -0.799 3.627) 5.815 9.915 ( -2.710 1.358 -0.173) 3.036 10.296 ( 11.721 -0.697 -2.508) 12.006 10.493 ( -14.530 -0.125 2.278) 14.708 10.644 ( -2.187 5.206 5.919) 8.181 10.731 ( -2.261 6.655 -7.644) 10.384 11.126 ( 13.996 2.389 0.033) 14.198 11.304 ( -7.025 2.644 0.640) 7.534 11.465 ( 0.455 0.218 2.871) 2.915 11.540 ( -3.056 -0.439 0.072) 3.089 11.746 ( 2.559 1.218 -0.284) 2.848 11.811 ( -3.192 -1.282 -1.937) 3.948 11.908 ( 2.220 -1.397 -5.248) 5.867 11.949 ( -5.430 1.537 2.442) 6.149 12.211 ( 4.387 -11.384 7.366) 14.251 12.337 ( -3.464 -10.690 -4.564) 12.129 13.263 ( 10.893 -11.406 -0.764) 15.790 13.325 ( -0.921 -10.671 5.204) 11.908 14.713 ( 1.422 -1.972 2.550) 3.523 14.781 ( -3.910 0.222 -2.136) 4.461 14.972 ( 6.174 0.642 3.656) 7.204 15.032 ( 3.282 -0.628 -3.387) 4.758 15.080 ( -2.185 4.354 -4.175) 6.415 15.145 ( -10.313 1.426 -0.210) 10.414 15.428 ( 3.604 -0.639 1.401) 3.919 15.482 ( -2.405 -1.837 -0.588) 3.083 15.887 ( 7.719 -2.531 3.969) 9.042 16.004 ( -3.222 -1.184 -2.049) 3.998 16.338 ( 2.938 0.256 1.169) 3.172 16.413 ( -4.811 -4.143 -0.950) 6.419 16.870 ( 8.398 4.337 -1.165) 9.523 17.042 ( -12.289 0.367 -2.215) 12.492 17.336 ( 3.545 1.475 2.369) 4.512 17.420 ( -3.839 1.375 -2.584) 4.828 25.579 ( 0.119 2.575 0.158) 2.583 25.587 ( -0.687 2.549 -0.067) 2.641 25.773 ( 0.804 0.524 0.849) 1.282 25.791 ( -0.083 0.468 -1.179) 1.271 25.911 ( 3.551 -4.013 7.379) 9.119 26.034 ( -3.654 -2.457 -4.856) 6.555 26.381 ( 0.172 1.494 -1.056) 1.838 26.416 ( -1.572 2.905 -4.030) 5.210 26.991 ( 5.378 -3.114 10.912) 12.558 27.188 ( -6.886 -5.562 -10.404) 13.660 28.136 ( 4.032 1.242 5.176) 6.677 28.195 ( 2.012 3.454 -5.595) 6.876 28.672 ( 13.365 2.747 0.803) 13.668 28.730 ( 10.906 4.128 7.514) 13.872 28.890 ( -8.245 7.180 -1.071) 10.985 29.122 ( -19.320 -8.709 -3.684) 21.510 ======================= Grid point 265 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 12.395 10.632 -10.038) 19.169 2.046 ( -12.395 10.632 10.038) 19.169 2.447 ( 0.420 13.978 -10.089) 17.244 2.447 ( -0.420 13.978 10.089) 17.244 2.833 ( -10.961 15.334 -10.063) 21.367 2.833 ( 10.961 15.334 10.063) 21.367 3.320 ( -1.993 8.261 -20.692) 22.370 3.320 ( 1.993 8.261 20.692) 22.370 3.753 ( -6.617 16.482 -7.379) 19.233 3.753 ( 6.617 16.482 7.379) 19.233 3.917 ( 3.183 6.423 -16.097) 17.621 3.917 ( -3.183 6.423 16.097) 17.621 4.173 ( -3.828 -0.263 -9.383) 10.138 4.173 ( 3.828 -0.263 9.383) 10.138 4.398 ( -6.014 -2.930 -4.713) 8.184 4.398 ( 6.014 -2.930 4.713) 8.184 4.684 ( -2.746 -1.489 -7.961) 8.552 4.684 ( 2.746 -1.489 7.961) 8.552 5.218 ( 2.188 -5.235 -9.402) 10.981 5.218 ( -2.188 -5.235 9.402) 10.981 5.435 ( -0.170 -0.149 -11.662) 11.664 5.435 ( 0.170 -0.149 11.662) 11.664 5.948 ( -2.736 -5.131 -7.569) 9.544 5.948 ( 2.736 -5.131 7.569) 9.544 6.178 ( -2.917 0.734 -0.409) 3.036 6.178 ( 2.917 0.734 0.409) 3.036 6.264 ( -4.738 -1.094 -3.917) 6.244 6.264 ( 4.738 -1.094 3.917) 6.244 6.471 ( 1.839 2.619 -5.292) 6.184 6.471 ( -1.839 2.619 5.292) 6.184 6.808 ( -4.464 -1.522 -5.773) 7.454 6.808 ( 4.464 -1.522 5.773) 7.454 7.023 ( 11.606 4.747 -8.830) 15.336 7.023 ( -11.606 4.747 8.830) 15.336 7.386 ( -7.219 -6.709 0.071) 9.856 7.386 ( 7.219 -6.709 -0.071) 9.856 7.597 ( -6.176 -2.804 -0.662) 6.815 7.597 ( 6.176 -2.804 0.662) 6.815 8.218 ( 1.544 1.862 -3.342) 4.126 8.218 ( -1.544 1.862 3.342) 4.126 8.834 ( 0.244 3.936 -3.819) 5.490 8.834 ( -0.244 3.936 3.819) 5.490 9.236 ( -1.104 3.811 -4.551) 6.038 9.236 ( 1.104 3.811 4.551) 6.038 9.449 ( 3.125 -2.051 -5.849) 6.942 9.449 ( -3.125 -2.051 5.849) 6.942 9.880 ( 0.780 -0.429 -1.733) 1.948 9.880 ( -0.780 -0.429 1.733) 1.948 10.381 ( -1.161 1.096 -7.225) 7.400 10.381 ( 1.161 1.096 7.225) 7.400 10.581 ( -0.388 5.310 -6.855) 8.679 10.581 ( 0.388 5.310 6.855) 8.679 11.188 ( -8.132 2.043 -0.177) 8.386 11.188 ( 8.132 2.043 0.177) 8.386 11.486 ( 0.964 1.575 -7.351) 7.579 11.486 ( -0.964 1.575 7.351) 7.579 11.824 ( -3.998 -3.958 -2.058) 5.991 11.824 ( 3.998 -3.958 2.058) 5.991 11.919 ( 2.327 -0.490 -4.517) 5.105 11.919 ( -2.327 -0.490 4.517) 5.105 12.458 ( -1.623 -9.501 -7.517) 12.223 12.458 ( 1.623 -9.501 7.517) 12.223 13.484 ( 6.293 -8.112 -10.702) 14.831 13.484 ( -6.293 -8.112 10.702) 14.831 14.757 ( 0.194 -0.081 -1.454) 1.469 14.757 ( -0.194 -0.081 1.454) 1.469 14.999 ( -4.570 3.870 -3.524) 6.949 14.999 ( 4.570 3.870 3.524) 6.949 15.071 ( 1.823 -4.260 -4.794) 6.667 15.071 ( -1.823 -4.260 4.794) 6.667 15.502 ( -3.992 -3.982 -1.314) 5.789 15.502 ( 3.992 -3.982 1.314) 5.789 15.948 ( 1.924 2.903 -6.748) 7.594 15.948 ( -1.924 2.903 6.748) 7.594 16.428 ( -7.306 -4.396 -5.254) 10.015 16.428 ( 7.306 -4.396 5.254) 10.015 16.907 ( -6.864 2.002 -6.967) 9.983 16.907 ( 6.864 2.002 6.967) 9.983 17.350 ( 0.593 1.613 -6.461) 6.686 17.350 ( -0.593 1.613 6.461) 6.686 25.543 ( 0.519 2.035 -0.888) 2.280 25.543 ( -0.519 2.035 0.888) 2.280 25.762 ( -0.506 1.817 -0.509) 1.953 25.762 ( 0.506 1.817 0.509) 1.953 26.029 ( -0.623 -2.773 -6.555) 7.145 26.029 ( 0.623 -2.773 6.555) 7.145 26.354 ( 0.157 1.703 -0.836) 1.903 26.354 ( -0.157 1.703 0.836) 1.903 27.156 ( -8.079 -3.834 -11.245) 14.368 27.156 ( 8.079 -3.834 11.245) 14.368 28.136 ( 3.308 2.189 -6.601) 7.701 28.136 ( -3.308 2.189 6.601) 7.701 28.579 ( -11.448 11.783 -3.532) 16.803 28.579 ( 11.448 11.783 3.532) 16.803 29.085 ( -26.942 -9.363 -5.019) 28.961 29.085 ( 26.942 -9.363 5.019) 28.961 ======================= Grid point 269 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 1.166 -0.000 -18.370) 18.407 1.693 ( -5.682 0.000 -30.449) 30.975 1.742 ( -0.561 0.000 -19.472) 19.480 2.329 ( 7.343 -0.000 15.158) 16.843 2.750 ( 15.362 -0.000 -5.827) 16.430 2.765 ( -0.790 0.000 -7.202) 7.246 2.789 ( 17.445 -0.000 -5.938) 18.428 3.144 ( -4.361 0.000 17.896) 18.419 3.491 ( 14.848 -0.000 -8.815) 17.268 3.605 ( -9.996 0.000 -10.489) 14.489 3.805 ( -10.408 0.000 -2.899) 10.804 4.025 ( 9.299 -0.000 11.768) 14.999 4.059 ( -13.339 0.000 4.550) 14.093 4.320 ( 16.283 -0.000 9.382) 18.792 4.329 ( -1.844 0.000 -12.227) 12.365 4.466 ( 1.099 -0.000 0.545) 1.227 4.758 ( -13.430 0.000 7.857) 15.559 4.847 ( -2.760 0.000 5.988) 6.593 5.142 ( -3.240 0.000 6.241) 7.032 5.241 ( 2.637 -0.000 -4.710) 5.398 5.331 ( -3.137 0.000 0.185) 3.142 5.637 ( -1.891 0.000 -8.024) 8.244 5.651 ( -0.013 0.000 -6.101) 6.101 5.889 ( -2.429 0.000 2.428) 3.435 6.020 ( -3.160 0.000 -5.345) 6.209 6.260 ( 2.423 -0.000 4.279) 4.917 6.303 ( 4.061 -0.000 0.087) 4.062 6.460 ( -8.461 0.000 0.252) 8.465 6.537 ( 5.764 -0.000 2.241) 6.185 6.610 ( 7.160 -0.000 -1.474) 7.310 6.683 ( -2.798 0.000 1.257) 3.068 6.791 ( -4.245 0.000 -5.585) 7.015 7.115 ( -1.227 0.000 10.491) 10.562 7.289 ( -5.770 0.000 0.717) 5.814 7.360 ( 2.268 -0.000 5.190) 5.664 7.492 ( 18.002 -0.000 -1.620) 18.074 7.760 ( -6.991 0.000 -0.080) 6.991 7.797 ( -11.535 0.000 0.653) 11.553 8.069 ( -3.557 0.000 6.385) 7.309 8.204 ( 9.797 -0.000 6.482) 11.747 8.639 ( -2.522 0.000 -3.734) 4.506 8.899 ( 1.031 -0.000 8.604) 8.666 9.187 ( 4.947 -0.000 3.619) 6.129 9.237 ( -9.401 0.000 4.751) 10.533 9.308 ( 7.676 -0.000 -9.315) 12.070 9.506 ( 2.347 -0.000 -1.582) 2.830 9.709 ( -8.375 0.000 4.075) 9.313 9.924 ( 0.616 -0.000 -4.058) 4.104 10.058 ( -9.316 0.000 -5.310) 10.723 10.351 ( -11.759 0.000 -8.760) 14.663 10.496 ( 7.786 -0.000 -4.115) 8.806 10.593 ( 0.402 -0.000 4.217) 4.237 11.105 ( 7.072 -0.000 9.879) 12.150 11.277 ( 7.914 -0.000 -8.049) 11.288 11.344 ( 2.591 -0.000 -7.633) 8.061 11.585 ( 1.145 -0.000 2.894) 3.112 11.719 ( -3.871 0.000 -1.533) 4.164 11.865 ( -0.030 0.000 -3.071) 3.071 11.936 ( -1.290 0.000 6.000) 6.137 12.277 ( -7.993 0.000 -5.673) 9.802 12.308 ( 8.274 -0.000 0.855) 8.318 12.370 ( -8.631 0.000 -16.316) 18.458 13.021 ( -28.860 0.000 3.393) 29.059 13.389 ( -2.485 0.000 -7.594) 7.990 14.663 ( -0.774 0.000 -2.170) 2.304 14.824 ( 1.697 -0.000 2.106) 2.705 15.003 ( 6.553 -0.000 -2.300) 6.945 15.059 ( 1.949 -0.000 1.488) 2.452 15.201 ( -11.572 0.000 2.002) 11.744 15.402 ( 10.881 -0.000 1.653) 11.006 15.512 ( -2.125 0.000 8.249) 8.518 15.555 ( -5.935 0.000 -7.845) 9.837 15.799 ( 0.433 -0.000 1.392) 1.458 15.986 ( 4.363 -0.000 4.455) 6.236 16.224 ( 0.623 -0.000 -2.924) 2.990 16.497 ( -8.267 0.000 2.838) 8.740 17.066 ( 19.485 -0.000 -3.444) 19.787 17.108 ( -4.008 0.000 8.262) 9.183 17.461 ( 3.428 -0.000 -1.325) 3.675 17.777 ( 8.555 -0.000 16.690) 18.754 25.501 ( 0.307 -0.000 0.281) 0.416 25.502 ( 1.408 -0.000 -1.741) 2.239 25.701 ( -1.400 0.000 1.012) 1.727 25.750 ( -1.007 0.000 0.836) 1.309 25.937 ( -3.649 0.000 -2.304) 4.315 26.046 ( 0.100 -0.000 -2.796) 2.798 26.423 ( 1.086 -0.000 1.723) 2.037 26.428 ( 1.636 -0.000 1.820) 2.447 26.894 ( -4.118 0.000 -2.023) 4.588 27.575 ( -12.152 0.000 -10.209) 15.871 27.873 ( -6.872 0.000 -9.978) 12.115 28.038 ( -4.582 0.000 9.666) 10.697 28.138 ( -6.056 0.000 5.750) 8.351 28.157 ( 0.369 -0.000 -0.414) 0.555 29.217 ( 19.452 -0.000 21.342) 28.876 29.954 ( 19.325 -0.000 -16.361) 25.321 ======================= Grid point 270 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 2.776 -31.362 -7.065) 32.268 1.700 ( 9.585 -14.255 -26.788) 31.823 1.868 ( -1.902 -23.177 -11.342) 25.873 2.514 ( 7.476 -6.471 10.655) 14.536 2.750 ( 6.334 -3.266 -9.891) 12.191 2.880 ( 12.412 1.828 -2.430) 12.779 2.924 ( -0.836 -14.916 -1.582) 15.023 3.282 ( -0.059 -7.602 10.947) 13.327 3.437 ( -7.140 0.570 -12.115) 14.074 3.635 ( 5.228 -5.928 -4.414) 9.053 3.721 ( -6.372 -0.071 -1.338) 6.511 3.904 ( -5.433 4.974 4.831) 8.809 4.226 ( 5.111 3.189 -10.399) 12.018 4.255 ( -1.656 -6.851 9.871) 12.129 4.473 ( 0.235 -2.061 -2.460) 3.218 4.566 ( 7.293 -6.266 14.131) 17.092 4.659 ( -14.369 -2.198 -0.992) 14.570 4.855 ( -2.092 -0.081 4.738) 5.180 5.116 ( 0.522 3.801 5.359) 6.591 5.249 ( 1.407 -2.179 -4.930) 5.571 5.354 ( 4.208 0.504 0.950) 4.343 5.534 ( -0.672 5.696 -2.762) 6.366 5.584 ( -3.406 -1.176 -10.834) 11.417 5.921 ( 1.027 0.935 1.799) 2.273 6.022 ( -1.279 -5.121 -4.387) 6.863 6.267 ( 3.356 3.214 1.311) 4.828 6.287 ( -10.050 0.382 -2.768) 10.431 6.366 ( -0.878 4.228 2.149) 4.824 6.540 ( 6.335 3.531 -3.168) 7.915 6.576 ( -0.958 5.224 5.051) 7.329 6.679 ( -2.660 2.128 -3.966) 5.229 6.789 ( 0.473 -4.857 1.526) 5.113 7.059 ( -1.525 7.206 2.333) 7.726 7.248 ( -4.678 -0.093 3.230) 5.686 7.417 ( 9.223 3.566 14.055) 17.185 7.623 ( -5.588 0.397 4.672) 7.295 7.633 ( 5.952 1.510 -4.427) 7.570 7.816 ( -5.795 -6.130 -3.373) 9.084 8.107 ( -3.135 -2.683 4.211) 5.896 8.254 ( 7.066 3.819 7.105) 10.724 8.662 ( -3.487 -4.118 -1.484) 5.596 8.982 ( 2.150 -3.736 8.107) 9.181 9.116 ( -9.816 3.398 2.192) 10.616 9.239 ( 4.587 1.741 -5.220) 7.163 9.330 ( 4.253 -0.540 0.269) 4.296 9.530 ( 2.965 0.243 0.471) 3.012 9.699 ( -3.620 -4.688 -0.989) 6.005 9.863 ( -0.932 4.409 -3.637) 5.791 9.981 ( -6.861 -1.995 -5.165) 8.817 10.358 ( -13.590 -14.871 -4.645) 20.674 10.548 ( 7.123 -0.910 -2.255) 7.527 10.671 ( 2.668 -5.468 2.783) 6.691 11.187 ( 10.590 2.128 5.737) 12.231 11.338 ( 5.137 -2.449 -1.963) 6.020 11.350 ( 3.639 -3.031 -7.313) 8.713 11.579 ( -0.398 2.295 0.669) 2.423 11.681 ( -2.687 1.408 1.149) 3.244 11.844 ( 0.030 0.430 -5.373) 5.390 11.957 ( -1.470 0.417 7.837) 7.985 12.139 ( -4.941 2.035 -12.322) 13.431 12.289 ( -7.811 -5.146 -9.634) 13.427 12.349 ( 3.491 0.417 -2.328) 4.216 12.824 ( -19.954 3.659 5.590) 21.042 13.286 ( -4.023 5.536 -7.207) 9.938 14.665 ( 0.872 -1.231 -2.878) 3.249 14.870 ( 1.031 -2.465 2.957) 3.986 14.932 ( -4.871 10.218 4.034) 12.017 15.054 ( 6.025 -0.946 -2.654) 6.651 15.210 ( -3.780 -3.587 0.769) 5.267 15.375 ( -3.667 6.607 -2.054) 7.831 15.466 ( 5.979 2.214 2.214) 6.749 15.591 ( 0.265 -1.648 0.043) 1.670 15.766 ( 2.136 4.456 1.404) 5.137 16.027 ( -0.483 0.153 2.418) 2.471 16.221 ( 1.068 -0.517 0.333) 1.232 16.479 ( -5.821 -2.108 -0.260) 6.196 17.067 ( 8.876 4.799 3.838) 10.795 17.241 ( 8.934 -2.850 0.619) 9.398 17.478 ( 1.604 -0.425 -1.615) 2.316 17.806 ( -0.518 9.209 15.473) 18.013 25.519 ( 1.652 -1.599 -0.818) 2.440 25.527 ( 0.761 -2.042 0.150) 2.184 25.699 ( -1.742 -0.671 0.153) 1.873 25.752 ( -2.069 -1.153 0.260) 2.383 25.871 ( -1.416 3.240 -2.372) 4.258 26.036 ( -1.241 -0.784 -2.612) 2.996 26.424 ( -0.743 -0.076 0.473) 0.884 26.480 ( 0.395 -3.100 0.637) 3.189 26.816 ( -1.568 4.284 -0.858) 4.642 27.399 ( -17.696 -4.148 -22.195) 28.687 27.861 ( 8.486 2.364 7.053) 11.285 28.070 ( -2.240 -2.205 8.627) 9.182 28.167 ( -4.248 -4.752 2.619) 6.891 28.212 ( -1.630 -6.166 0.938) 6.446 29.420 ( 11.182 4.067 22.839) 25.752 29.936 ( 15.555 8.170 -17.424) 24.744 ======================= Grid point 271 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 4.323 -26.497 -13.306) 29.964 2.069 ( 11.323 -27.621 1.057) 29.870 2.209 ( 0.502 -22.522 -11.201) 25.159 2.679 ( 8.360 -0.951 -0.980) 8.470 2.850 ( -2.835 -4.594 6.951) 8.800 2.957 ( 12.533 -6.375 -7.105) 15.754 3.176 ( -4.744 -15.193 1.998) 16.041 3.317 ( -13.174 -4.603 -6.269) 15.299 3.461 ( 4.143 -4.595 2.371) 6.626 3.702 ( -6.784 -7.152 -1.529) 9.975 3.741 ( -3.702 -5.847 0.708) 6.956 3.859 ( 1.010 1.481 0.066) 1.794 4.153 ( 2.060 2.505 -4.447) 5.504 4.300 ( -9.317 1.905 0.232) 9.512 4.414 ( -3.356 4.202 10.119) 11.459 4.655 ( -7.002 -3.745 -3.761) 8.786 4.833 ( 4.886 -9.284 8.055) 13.227 4.881 ( 4.090 -2.715 2.096) 5.337 5.090 ( 1.590 1.656 0.469) 2.344 5.283 ( 4.517 -4.238 -12.149) 13.637 5.374 ( 7.681 1.607 0.438) 7.859 5.503 ( 3.676 0.035 0.781) 3.758 5.593 ( 0.835 -7.440 -3.936) 8.459 5.821 ( -1.155 9.868 -2.404) 10.222 6.025 ( -6.729 -0.474 -6.565) 9.413 6.173 ( -5.784 -1.749 -6.281) 8.716 6.289 ( 3.544 -0.169 0.848) 3.648 6.328 ( -6.677 1.221 6.291) 9.255 6.494 ( 3.678 6.238 6.278) 9.584 6.542 ( 4.758 1.776 -0.942) 5.165 6.625 ( -0.831 0.479 -0.740) 1.211 6.870 ( -1.185 -4.089 -0.353) 4.272 6.965 ( 0.157 4.044 5.165) 6.561 7.235 ( -7.395 -0.323 5.526) 9.237 7.470 ( 3.308 6.949 12.715) 14.863 7.536 ( 2.365 2.674 2.037) 4.110 7.675 ( 1.176 -2.176 -3.921) 4.636 7.877 ( 2.049 -4.020 -3.593) 5.768 8.118 ( -5.326 -1.304 0.639) 5.520 8.244 ( -0.354 4.678 1.824) 5.033 8.670 ( -4.022 -1.245 1.904) 4.621 8.944 ( -9.242 5.289 -2.819) 11.015 9.157 ( 4.083 -5.594 8.173) 10.713 9.248 ( 7.504 0.163 -1.787) 7.716 9.349 ( 0.542 1.068 2.081) 2.401 9.558 ( 0.469 -1.642 3.320) 3.734 9.759 ( 4.068 4.084 -1.456) 5.946 9.821 ( 1.001 -8.499 -4.599) 9.716 9.952 ( -3.752 -2.963 -7.056) 8.524 10.467 ( -14.815 -10.224 -0.063) 18.001 10.632 ( 5.463 -3.660 1.797) 6.817 10.806 ( 2.042 -6.620 -0.183) 6.930 11.260 ( 11.692 1.977 -0.865) 11.890 11.373 ( 0.959 -2.796 -3.741) 4.768 11.445 ( 1.486 -4.251 -0.536) 4.535 11.536 ( 1.991 2.319 5.303) 6.120 11.636 ( -1.314 3.331 2.740) 4.509 11.792 ( 0.101 1.281 -8.533) 8.630 11.948 ( -3.053 1.590 3.417) 4.850 12.086 ( -0.640 -1.199 -5.785) 5.942 12.286 ( -5.709 -4.793 -4.837) 8.886 12.368 ( -0.603 -5.077 -3.944) 6.457 12.639 ( -9.420 8.283 5.407) 13.660 13.080 ( -6.817 9.256 -6.309) 13.112 14.676 ( 2.982 -0.322 -4.685) 5.563 14.775 ( -2.188 6.522 3.956) 7.935 14.933 ( -2.376 -2.757 4.252) 5.597 15.062 ( -0.355 2.088 -3.534) 4.120 15.237 ( 0.446 -1.659 4.367) 4.693 15.284 ( 0.125 0.761 -3.141) 3.234 15.460 ( 2.131 2.677 0.289) 3.434 15.568 ( 1.450 4.044 -3.924) 5.818 15.732 ( 4.112 3.324 2.295) 5.764 16.018 ( -4.238 0.210 3.307) 5.379 16.243 ( -1.197 -0.714 3.909) 4.150 16.451 ( -2.378 -0.085 -4.986) 5.525 17.108 ( 12.764 2.800 2.286) 13.265 17.313 ( 5.538 1.437 1.306) 5.868 17.481 ( 0.002 -0.163 -2.087) 2.093 17.653 ( -5.464 12.717 10.494) 17.369 25.567 ( 1.931 -2.688 -0.591) 3.362 25.580 ( 0.846 -3.074 1.208) 3.409 25.694 ( -1.705 -0.467 -0.656) 1.886 25.749 ( -2.261 -0.490 -0.809) 2.451 25.817 ( 1.009 1.946 -0.500) 2.249 26.022 ( -3.056 -1.091 -3.501) 4.774 26.412 ( -1.906 -0.125 -1.129) 2.219 26.521 ( -0.988 -2.328 -2.856) 3.815 26.775 ( 1.624 1.442 5.023) 5.473 27.243 ( -10.539 -1.246 -15.654) 18.912 27.945 ( 7.377 0.140 8.429) 11.203 28.160 ( -0.347 -4.665 4.655) 6.599 28.230 ( -2.602 -5.236 2.573) 6.388 28.343 ( -2.583 -10.104 1.919) 10.604 29.470 ( 4.290 8.198 16.493) 18.911 29.771 ( 11.016 13.710 -16.134) 23.866 ======================= Grid point 272 (132/140) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 6.437 -16.578 -3.200) 18.069 2.455 ( 2.715 -14.394 -7.808) 16.598 2.554 ( 0.323 -12.474 -0.630) 12.494 2.759 ( 10.483 -10.614 -4.030) 15.453 2.848 ( -5.554 3.856 4.749) 8.263 3.207 ( -0.015 -13.732 -2.364) 13.934 3.279 ( 1.201 -2.613 0.591) 2.936 3.336 ( -3.376 -7.018 5.813) 9.718 3.590 ( -4.072 -6.409 7.775) 10.867 3.780 ( -5.520 -4.804 -3.002) 7.910 3.795 ( -3.414 -7.310 -3.182) 8.673 3.870 ( -4.253 -7.357 -7.984) 11.659 4.066 ( 4.677 7.277 0.576) 8.669 4.298 ( 1.393 -0.319 3.275) 3.573 4.339 ( -2.590 2.170 1.958) 3.905 4.590 ( -8.018 1.363 -0.392) 8.143 4.932 ( 0.145 1.405 7.530) 7.661 4.982 ( -2.004 -2.447 10.491) 10.957 5.123 ( 2.174 -2.441 -10.222) 10.732 5.215 ( -4.337 4.351 -13.140) 14.505 5.474 ( 10.853 -0.251 -5.877) 12.344 5.547 ( 9.167 -0.325 -7.864) 12.082 5.716 ( 4.224 -2.074 1.140) 4.842 5.800 ( 4.696 -7.437 12.974) 15.675 5.938 ( -4.266 -3.843 -5.424) 7.898 6.167 ( -0.495 -1.531 -8.213) 8.369 6.236 ( -7.252 3.313 2.701) 8.418 6.356 ( -0.887 -4.821 3.547) 6.051 6.465 ( -1.962 3.100 7.609) 8.447 6.543 ( 4.607 1.601 -3.493) 5.999 6.641 ( 2.907 -0.835 0.248) 3.034 6.906 ( -5.182 -4.732 -3.451) 7.820 6.987 ( 3.011 0.251 9.252) 9.733 7.189 ( -8.371 1.089 3.849) 9.278 7.407 ( 2.425 6.272 5.166) 8.480 7.542 ( 5.050 3.699 1.774) 6.507 7.704 ( 2.859 -1.045 -2.214) 3.764 7.934 ( 1.658 -3.107 -2.264) 4.187 8.073 ( -8.495 2.420 -0.833) 8.872 8.119 ( -4.178 4.310 -3.974) 7.198 8.685 ( -3.901 -2.629 4.233) 6.328 8.782 ( -4.409 3.948 -4.663) 7.535 9.276 ( 4.912 0.331 1.924) 5.286 9.315 ( 9.590 2.552 6.837) 12.051 9.353 ( 0.655 -1.759 2.693) 3.283 9.607 ( -2.599 -2.957 -0.312) 3.949 9.732 ( 0.443 0.555 5.482) 5.528 9.915 ( -3.770 -3.991 -8.504) 10.122 10.017 ( 11.744 -6.362 -4.070) 13.963 10.473 ( -14.391 -4.739 1.099) 15.191 10.735 ( 3.605 -2.240 3.398) 5.437 10.892 ( -0.220 -3.728 -3.610) 5.194 11.265 ( 8.180 5.756 -0.340) 10.008 11.409 ( -0.343 -1.880 -5.313) 5.646 11.447 ( -0.491 -0.764 2.780) 2.925 11.559 ( 0.142 5.837 1.785) 6.105 11.679 ( 4.746 -5.551 9.741) 12.175 11.759 ( -0.270 -3.407 -8.961) 9.591 11.907 ( -4.162 1.279 -0.108) 4.355 12.034 ( -3.224 1.543 -4.302) 5.593 12.267 ( -1.047 4.276 -0.079) 4.403 12.415 ( -9.912 5.135 -3.333) 11.650 12.553 ( 8.881 -6.613 4.118) 11.814 12.889 ( -7.945 0.643 -3.871) 8.861 14.689 ( 3.758 -1.318 -4.663) 6.132 14.720 ( -0.864 1.542 3.782) 4.174 14.952 ( -5.616 -1.065 3.841) 6.887 14.987 ( -1.444 2.477 -3.865) 4.812 15.283 ( 4.065 0.590 -0.884) 4.201 15.329 ( 0.101 -5.207 4.046) 6.595 15.425 ( 0.577 2.101 -1.260) 2.517 15.463 ( -0.432 6.145 -4.711) 7.755 15.735 ( 6.172 2.433 2.315) 7.027 15.972 ( -7.122 1.520 2.290) 7.634 16.282 ( -1.087 -2.303 6.367) 6.857 16.409 ( 0.650 0.398 -7.450) 7.489 17.148 ( 12.461 6.445 0.029) 14.029 17.321 ( 3.116 1.084 1.997) 3.857 17.410 ( -3.129 11.233 1.359) 11.740 17.486 ( -6.086 0.913 2.140) 6.516 25.627 ( 1.807 -2.620 0.279) 3.195 25.648 ( 1.376 -3.089 1.800) 3.831 25.683 ( -1.039 0.060 -0.512) 1.160 25.735 ( -1.371 -0.177 -0.568) 1.494 25.808 ( 1.354 0.619 1.065) 1.830 25.990 ( -4.543 -1.308 -5.279) 7.087 26.402 ( -0.307 -0.350 -0.157) 0.491 26.516 ( -1.750 -0.939 -5.036) 5.413 26.825 ( 2.300 -0.593 9.559) 9.850 27.128 ( -6.133 -0.714 -11.574) 13.118 28.048 ( 7.396 -0.975 7.164) 10.343 28.224 ( -1.473 -3.030 -0.301) 3.382 28.348 ( 1.304 -6.374 5.466) 8.498 28.503 ( -4.266 -10.880 1.181) 11.746 29.388 ( 1.006 11.113 8.179) 13.835 29.524 ( 5.315 14.389 -11.847) 19.381 ======================= Grid point 273 (133/140) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 8.051 3.019 -1.047) 8.662 2.591 ( -5.617 -1.128 -6.197) 8.439 2.641 ( -3.087 -6.599 8.608) 11.277 2.736 ( -2.182 0.109 -7.878) 8.175 3.062 ( 7.977 -9.931 4.530) 13.520 3.242 ( -7.460 -4.765 -3.941) 9.690 3.395 ( 2.967 -0.759 7.127) 7.757 3.512 ( -2.793 -4.006 -1.220) 5.034 3.680 ( 1.888 -4.916 15.747) 16.604 3.844 ( 1.579 -6.758 -0.583) 6.964 3.874 ( -0.046 -6.122 -4.571) 7.640 3.913 ( -0.435 -7.063 -12.028) 13.955 4.067 ( 4.922 -0.694 3.789) 6.250 4.232 ( -10.221 -0.743 -4.936) 11.375 4.380 ( 10.334 0.795 2.130) 10.581 4.539 ( -7.786 -1.106 1.112) 7.942 4.872 ( -3.297 7.638 6.162) 10.352 4.951 ( -2.931 9.589 -10.514) 14.528 5.074 ( -3.809 -2.264 9.480) 10.465 5.134 ( 1.384 -0.333 -9.047) 9.158 5.483 ( 7.604 1.269 -2.372) 8.066 5.584 ( -1.511 -1.339 -2.727) 3.393 5.750 ( 7.189 1.410 -0.751) 7.364 5.864 ( -6.250 0.846 3.782) 7.354 6.123 ( 0.098 1.016 -2.864) 3.041 6.151 ( -4.838 2.030 1.993) 5.612 6.208 ( 15.543 -10.888 1.062) 19.007 6.428 ( 3.432 1.411 4.890) 6.138 6.444 ( -10.166 -3.373 1.136) 10.771 6.525 ( -1.417 -1.184 -5.780) 6.068 6.715 ( 8.468 -2.196 4.468) 9.822 6.911 ( -8.229 -4.028 -5.929) 10.913 7.038 ( 0.357 1.937 9.792) 9.988 7.117 ( -2.772 1.905 -4.248) 5.418 7.363 ( 7.651 6.075 5.592) 11.257 7.511 ( -0.779 1.756 -0.568) 2.003 7.708 ( 5.067 3.356 -4.789) 7.737 7.857 ( -12.078 8.786 -0.583) 14.947 8.011 ( 0.966 -4.254 1.217) 4.529 8.067 ( -3.112 -2.137 -4.301) 5.723 8.737 ( -4.122 -4.447 5.609) 8.260 8.751 ( 1.705 -5.238 -5.792) 7.993 9.269 ( 5.641 6.247 5.394) 9.997 9.322 ( 3.677 3.761 -2.250) 5.721 9.440 ( 4.964 -1.375 5.385) 7.452 9.589 ( -6.726 -0.322 -3.356) 7.524 9.795 ( 0.722 -2.459 8.217) 8.608 9.896 ( -2.572 -2.164 -7.459) 8.181 10.201 ( 15.178 -4.594 -3.199) 16.177 10.429 ( -16.124 -3.336 2.156) 16.606 10.785 ( 3.015 1.736 4.736) 5.877 10.884 ( -2.232 1.037 -6.052) 6.533 11.242 ( 10.287 4.934 2.892) 11.770 11.408 ( -4.137 -1.320 -3.438) 5.539 11.441 ( 3.583 5.081 -0.489) 6.236 11.489 ( -4.714 -0.745 3.736) 6.061 11.790 ( 0.109 -4.544 -7.230) 8.540 11.811 ( -5.597 -2.802 2.055) 6.588 11.881 ( 5.685 -0.748 3.053) 6.496 11.994 ( -2.468 -1.392 -1.447) 3.182 12.146 ( -2.562 6.966 2.137) 7.723 12.177 ( -1.928 12.132 -3.494) 12.771 12.825 ( 6.864 -13.936 2.825) 15.789 12.934 ( -4.707 -11.437 -1.297) 12.435 14.705 ( 1.058 0.166 1.884) 2.167 14.747 ( -0.601 -2.730 -2.300) 3.620 14.929 ( 1.315 0.242 -1.670) 2.139 14.960 ( -3.739 -2.006 1.383) 4.463 15.267 ( 1.597 5.166 1.690) 5.665 15.319 ( -1.569 7.548 -3.790) 8.591 15.416 ( 1.672 -1.651 -1.448) 2.760 15.424 ( -1.303 -3.699 1.818) 4.323 15.781 ( 6.904 -0.698 3.440) 7.745 15.910 ( -6.467 -0.833 -1.053) 6.605 16.344 ( -2.427 -1.965 7.473) 8.099 16.379 ( 3.040 0.490 -7.909) 8.487 17.085 ( 7.310 8.944 -0.075) 11.551 17.191 ( -6.050 9.614 -0.014) 11.359 17.360 ( 4.205 -0.108 2.156) 4.727 17.447 ( -4.503 0.166 -1.159) 4.652 25.656 ( 0.218 1.041 0.500) 1.175 25.660 ( 0.238 1.493 -0.353) 1.553 25.729 ( 1.084 -3.717 1.038) 4.009 25.742 ( -0.711 -1.968 0.719) 2.213 25.831 ( 2.955 -0.524 3.549) 4.648 25.950 ( -4.958 -1.921 -6.509) 8.405 26.415 ( 1.340 0.129 1.783) 2.234 26.480 ( -2.098 0.492 -4.919) 5.371 26.911 ( 2.593 -1.577 10.541) 10.969 27.059 ( -4.079 -1.979 -10.194) 11.156 28.151 ( 6.202 -0.909 5.464) 8.315 28.242 ( -1.604 -1.131 -2.342) 3.056 28.501 ( 6.231 -6.190 4.389) 9.819 28.635 ( -7.534 -9.935 0.121) 12.469 29.210 ( 2.846 13.686 1.425) 14.052 29.286 ( -2.438 11.145 -5.164) 12.522 ======================= Grid point 274 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 3.748 9.508 -10.842) 14.900 2.404 ( -3.748 9.508 10.842) 14.900 2.727 ( 6.104 0.525 -13.363) 14.700 2.727 ( -6.104 0.525 13.363) 14.700 3.196 ( -8.804 3.941 -1.132) 9.712 3.196 ( 8.804 3.941 1.132) 9.712 3.447 ( -0.826 0.298 -6.941) 6.996 3.447 ( 0.826 0.298 6.941) 6.996 3.869 ( -4.192 -2.382 -10.959) 11.973 3.869 ( 4.192 -2.382 10.959) 11.973 3.982 ( 0.127 -4.419 -7.221) 8.467 3.982 ( -0.127 -4.419 7.221) 8.467 4.206 ( 10.886 -6.332 -7.369) 14.591 4.206 ( -10.886 -6.332 7.369) 14.591 4.475 ( 8.603 0.364 -4.742) 9.830 4.475 ( -8.603 0.364 4.742) 9.830 4.722 ( 1.565 9.920 -8.639) 13.247 4.722 ( -1.565 9.920 8.639) 13.247 5.099 ( 1.385 1.241 -7.050) 7.291 5.099 ( -1.385 1.241 7.050) 7.291 5.558 ( -4.934 -1.369 -6.497) 8.273 5.558 ( 4.934 -1.369 6.497) 8.273 5.780 ( 1.379 1.522 -8.377) 8.625 5.780 ( -1.379 1.522 8.377) 8.625 6.104 ( -2.697 0.317 0.346) 2.738 6.104 ( 2.697 0.317 -0.346) 2.738 6.380 ( -6.885 2.442 -0.659) 7.335 6.380 ( 6.885 2.442 0.659) 7.335 6.506 ( -7.401 -2.974 -4.635) 9.225 6.506 ( 7.401 -2.974 4.635) 9.225 6.832 ( -5.958 1.573 -8.093) 10.172 6.832 ( 5.958 1.573 8.093) 10.172 7.050 ( 0.054 0.030 -6.328) 6.329 7.050 ( -0.054 0.030 6.328) 6.329 7.411 ( -15.271 3.329 -8.305) 17.699 7.411 ( 15.271 3.329 8.305) 17.699 7.643 ( -6.890 6.102 -2.595) 9.562 7.643 ( 6.890 6.102 2.595) 9.562 8.110 ( 1.551 -5.760 -2.604) 6.509 8.110 ( -1.551 -5.760 2.604) 6.509 8.854 ( 4.356 -7.198 -7.598) 11.337 8.854 ( -4.356 -7.198 7.598) 11.337 9.228 ( -2.716 4.759 -3.662) 6.591 9.228 ( 2.716 4.759 3.662) 6.591 9.504 ( -4.981 1.746 -4.455) 6.907 9.504 ( 4.981 1.746 4.455) 6.907 9.878 ( -0.164 -1.346 -7.857) 7.974 9.878 ( 0.164 -1.346 7.857) 7.974 10.363 ( -0.284 -2.352 -6.934) 7.327 10.363 ( 0.284 -2.352 6.934) 7.327 10.775 ( -1.858 5.079 -7.480) 9.231 10.775 ( 1.858 5.079 7.480) 9.231 11.280 ( -11.623 3.436 -1.885) 12.266 11.280 ( 11.623 3.436 1.885) 12.266 11.481 ( -2.064 -1.792 -1.628) 3.181 11.481 ( 2.064 -1.792 1.628) 3.181 11.790 ( 2.268 1.496 -1.609) 3.158 11.790 ( -2.268 1.496 1.609) 3.158 11.949 ( -5.429 3.063 -2.543) 6.733 11.949 ( 5.429 3.063 2.543) 6.733 12.114 ( -2.610 -6.960 -6.360) 9.783 12.114 ( 2.610 -6.960 6.360) 9.783 13.111 ( -0.410 -13.367 -2.714) 13.646 13.111 ( 0.410 -13.367 2.714) 13.646 14.734 ( -2.914 -0.178 -3.479) 4.541 14.734 ( 2.914 -0.178 3.479) 4.541 14.987 ( -2.662 -3.652 -0.888) 4.606 14.987 ( 2.662 -3.652 0.888) 4.606 15.170 ( 1.487 7.108 -3.869) 8.228 15.170 ( -1.487 7.108 3.869) 8.228 15.450 ( -2.133 -0.594 -0.187) 2.222 15.450 ( 2.133 -0.594 0.187) 2.222 15.896 ( -5.476 -4.217 -4.174) 8.074 15.896 ( 5.476 -4.217 4.174) 8.074 16.365 ( 4.724 0.265 -7.188) 8.606 16.365 ( -4.724 0.265 7.188) 8.606 17.011 ( 1.833 5.701 -7.442) 9.552 17.011 ( -1.833 5.701 7.442) 9.552 17.397 ( -1.416 0.855 -4.180) 4.496 17.397 ( 1.416 0.855 4.180) 4.496 25.625 ( 0.304 2.490 -0.956) 2.684 25.625 ( -0.304 2.490 0.956) 2.684 25.776 ( 0.043 -1.393 -1.401) 1.976 25.776 ( -0.043 -1.393 1.401) 1.976 25.919 ( -1.140 -2.950 -10.104) 10.587 25.919 ( 1.140 -2.950 10.104) 10.587 26.425 ( -1.574 1.687 -3.334) 4.055 26.425 ( 1.574 1.687 3.334) 4.055 27.024 ( -3.966 -3.204 -10.313) 11.504 27.024 ( 3.966 -3.204 10.313) 11.504 28.208 ( 3.295 1.180 -10.441) 11.012 28.208 ( -3.295 1.180 10.441) 11.012 28.708 ( -8.848 -7.920 -2.974) 12.242 28.708 ( 8.848 -7.920 2.974) 12.242 29.044 ( -4.743 11.072 -5.613) 13.289 29.044 ( 4.743 11.072 5.613) 13.289 ======================= Grid point 280 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 10.105 -0.000 -3.231) 10.609 1.546 ( 2.779 -0.000 -6.445) 7.019 1.625 ( 16.325 -0.000 -13.956) 21.478 2.454 ( -2.662 0.000 -2.579) 3.707 2.739 ( -3.135 0.000 -12.859) 13.236 2.803 ( 12.364 -0.000 3.923) 12.972 3.019 ( 15.233 -0.000 -2.430) 15.425 3.210 ( -14.800 0.000 -7.915) 16.784 3.305 ( -6.334 0.000 8.967) 10.979 3.621 ( 0.125 -0.000 -4.484) 4.486 3.732 ( 15.722 -0.000 -7.003) 17.211 3.894 ( -13.805 0.000 7.074) 15.512 4.249 ( 0.621 -0.000 2.283) 2.367 4.290 ( 8.977 -0.000 0.259) 8.981 4.374 ( -2.921 0.000 -10.546) 10.943 4.511 ( -19.217 0.000 6.576) 20.311 4.647 ( 7.519 -0.000 8.769) 11.551 4.833 ( -3.485 0.000 0.903) 3.600 5.180 ( 2.852 -0.000 1.169) 3.083 5.225 ( -0.238 0.000 3.581) 3.588 5.437 ( 11.326 -0.000 -2.020) 11.505 5.486 ( -3.528 0.000 -3.945) 5.292 5.601 ( -1.718 0.000 0.976) 1.976 5.909 ( -3.089 0.000 -6.831) 7.497 5.966 ( 0.808 -0.000 4.918) 4.984 6.169 ( -15.335 0.000 -5.245) 16.207 6.279 ( -5.413 0.000 -3.330) 6.356 6.403 ( 2.342 -0.000 0.264) 2.357 6.628 ( 7.070 -0.000 -3.569) 7.919 6.656 ( 3.839 -0.000 -3.414) 5.137 6.678 ( -2.393 0.000 7.631) 7.998 6.755 ( 3.247 -0.000 1.542) 3.594 7.129 ( -2.577 0.000 0.258) 2.590 7.211 ( -5.738 0.000 0.788) 5.792 7.591 ( 7.008 -0.000 15.933) 17.406 7.638 ( -7.212 0.000 -0.635) 7.240 7.639 ( -4.440 0.000 1.628) 4.729 7.697 ( 9.543 -0.000 -1.627) 9.681 8.088 ( -1.128 0.000 3.038) 3.240 8.384 ( 3.781 -0.000 4.916) 6.201 8.594 ( 0.613 -0.000 -0.529) 0.809 8.992 ( -1.569 0.000 2.751) 3.167 9.080 ( -9.467 0.000 6.685) 11.589 9.275 ( 0.496 -0.000 3.319) 3.356 9.382 ( 11.174 -0.000 -9.049) 14.378 9.519 ( 3.748 -0.000 -3.996) 5.479 9.639 ( -9.608 0.000 9.159) 13.274 9.864 ( -2.231 0.000 -9.975) 10.221 9.886 ( -4.634 0.000 -4.650) 6.565 10.084 ( -8.527 0.000 -6.832) 10.926 10.595 ( 8.429 -0.000 -2.591) 8.818 10.650 ( 1.340 -0.000 3.714) 3.948 11.307 ( 2.836 -0.000 -7.750) 8.252 11.315 ( 5.011 -0.000 9.156) 10.437 11.355 ( 10.072 -0.000 -3.682) 10.724 11.600 ( -0.629 0.000 -0.135) 0.643 11.677 ( -1.391 0.000 1.173) 1.819 11.824 ( -0.033 0.000 -5.347) 5.347 11.987 ( -1.879 0.000 8.603) 8.806 12.075 ( -5.418 0.000 -15.192) 16.129 12.106 ( -7.052 0.000 -5.919) 9.207 12.293 ( -9.029 0.000 -7.234) 11.569 12.821 ( -3.878 0.000 10.969) 11.635 13.275 ( -3.327 0.000 -7.374) 8.090 14.658 ( 2.752 -0.000 -1.651) 3.209 14.871 ( -0.137 0.000 3.809) 3.811 15.013 ( -11.401 0.000 9.136) 14.610 15.106 ( 1.710 -0.000 1.772) 2.463 15.111 ( 8.660 -0.000 -10.465) 13.584 15.358 ( -6.699 0.000 -7.161) 9.806 15.582 ( 6.450 -0.000 2.425) 6.891 15.586 ( 1.085 -0.000 7.669) 7.746 15.825 ( 2.281 -0.000 -0.344) 2.307 16.031 ( -2.491 0.000 1.368) 2.842 16.237 ( 2.664 -0.000 -0.437) 2.700 16.409 ( -5.670 0.000 0.835) 5.732 17.169 ( 2.427 -0.000 6.519) 6.956 17.327 ( 17.552 -0.000 -2.572) 17.740 17.474 ( 1.124 -0.000 -2.402) 2.652 17.924 ( -9.604 0.000 15.486) 18.222 25.515 ( 1.961 -0.000 -1.249) 2.325 25.516 ( 0.847 -0.000 0.698) 1.098 25.679 ( -1.845 0.000 -0.237) 1.860 25.724 ( -2.468 0.000 -0.443) 2.507 25.881 ( -2.669 0.000 1.155) 2.908 26.002 ( -0.827 0.000 -5.501) 5.563 26.425 ( -1.141 0.000 -0.627) 1.302 26.445 ( -0.137 0.000 -0.615) 0.630 26.852 ( -2.080 0.000 2.796) 3.485 27.139 ( -7.724 0.000 -21.847) 23.173 27.964 ( 8.662 -0.000 0.962) 8.715 28.081 ( -1.459 0.000 7.538) 7.678 28.113 ( -5.721 0.000 7.845) 9.709 28.154 ( -0.266 0.000 -0.267) 0.377 29.653 ( 4.183 -0.000 28.346) 28.653 30.028 ( 14.071 -0.000 -20.522) 24.883 ======================= Grid point 281 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 5.987 -24.448 1.710) 25.229 1.744 ( -0.300 -23.530 -11.091) 26.015 1.894 ( 25.553 -12.965 2.913) 28.801 2.556 ( -4.057 -15.468 1.952) 16.110 2.736 ( -3.471 -8.269 -15.780) 18.150 2.919 ( 10.341 -4.266 0.111) 11.187 3.046 ( -14.233 -2.287 -3.167) 14.759 3.078 ( 3.110 -0.308 -3.904) 5.001 3.429 ( 1.156 -6.184 10.339) 12.103 3.598 ( -0.387 -0.796 -4.373) 4.462 3.700 ( -3.284 4.691 4.285) 7.152 3.919 ( 2.677 1.188 -6.294) 6.942 4.145 ( -4.738 1.127 -1.122) 4.998 4.257 ( -5.398 1.169 -0.570) 5.552 4.455 ( -4.023 -9.366 -5.260) 11.471 4.496 ( 1.012 2.180 7.811) 8.172 4.754 ( 5.294 -6.606 0.068) 8.466 4.853 ( -2.470 -5.018 1.344) 5.752 5.187 ( 1.389 3.997 4.450) 6.141 5.228 ( 1.907 0.590 -3.423) 3.962 5.489 ( 9.457 0.767 -3.749) 10.202 5.512 ( 5.517 -1.724 5.213) 7.783 5.566 ( 1.832 2.750 6.068) 6.909 5.868 ( -3.592 -0.526 -6.979) 7.867 5.937 ( -9.298 2.037 -4.923) 10.716 6.047 ( -10.731 -2.505 -4.522) 11.911 6.245 ( -4.388 -1.539 -0.509) 4.678 6.357 ( -3.710 4.364 -0.513) 5.751 6.619 ( 6.902 3.429 2.499) 8.102 6.644 ( 5.972 4.282 -1.316) 7.465 6.682 ( 2.699 2.370 3.371) 4.926 6.828 ( 0.594 -2.574 0.300) 2.658 7.063 ( -0.485 4.212 2.984) 5.185 7.188 ( -5.551 -1.295 0.436) 5.717 7.546 ( -4.862 2.639 3.769) 6.694 7.601 ( -3.612 1.286 1.426) 4.091 7.724 ( 8.781 0.743 7.603) 11.639 7.805 ( 3.693 -4.770 -1.623) 6.246 8.088 ( -0.268 1.368 1.225) 1.856 8.341 ( -1.925 6.299 0.284) 6.593 8.641 ( 1.606 -2.131 1.760) 3.196 8.913 ( -10.362 1.883 -3.009) 10.953 9.134 ( 3.187 -3.667 7.915) 9.287 9.279 ( 0.388 -0.406 0.463) 0.727 9.402 ( 6.637 1.440 0.522) 6.812 9.575 ( -0.027 0.675 2.210) 2.311 9.650 ( -0.755 -8.684 -2.157) 8.980 9.805 ( -0.852 -0.318 -7.467) 7.522 9.861 ( 0.029 -1.780 -4.491) 4.831 10.126 ( -11.829 -13.221 -1.623) 17.815 10.644 ( 4.947 -1.080 1.714) 5.346 10.724 ( 2.190 -4.633 -0.646) 5.165 11.303 ( 2.794 -0.921 -5.431) 6.177 11.361 ( 1.377 -0.083 1.436) 1.992 11.437 ( 8.968 -0.413 -1.173) 9.054 11.601 ( 2.005 0.348 6.643) 6.947 11.681 ( 0.166 0.341 2.199) 2.232 11.782 ( -0.221 1.528 -6.918) 7.088 11.943 ( -3.891 1.675 -7.588) 8.690 12.034 ( -1.267 -2.156 5.998) 6.499 12.091 ( -9.791 -6.144 -6.055) 13.048 12.204 ( -8.005 -3.652 -7.125) 11.322 12.815 ( 3.416 7.124 9.742) 12.543 13.148 ( -5.072 7.081 -7.221) 11.314 14.684 ( 4.826 -0.383 -2.326) 5.371 14.858 ( -8.682 2.568 4.674) 10.189 14.934 ( 1.903 3.242 4.065) 5.537 15.092 ( 1.576 2.604 -3.383) 4.551 15.194 ( 1.014 -4.225 -0.234) 4.351 15.268 ( -3.163 0.276 -4.780) 5.739 15.559 ( 2.435 5.197 4.799) 7.481 15.636 ( 2.656 2.757 -0.540) 3.866 15.820 ( 3.965 2.211 0.815) 4.612 16.000 ( -4.744 0.353 0.789) 4.823 16.256 ( 1.532 0.062 2.392) 2.842 16.389 ( -4.000 -1.512 -2.497) 4.951 17.224 ( 6.843 0.182 4.251) 8.058 17.417 ( 6.557 0.479 0.311) 6.581 17.473 ( 6.836 2.119 -4.416) 8.410 17.823 ( -12.749 8.420 10.849) 18.739 25.540 ( 1.897 -1.781 -0.836) 2.733 25.545 ( 0.770 -2.198 0.930) 2.508 25.669 ( -1.555 -0.598 -0.122) 1.671 25.710 ( -2.557 -1.031 -1.033) 2.944 25.856 ( -0.436 1.748 1.759) 2.518 25.967 ( -1.973 -0.257 -5.874) 6.202 26.403 ( -0.714 0.562 -0.327) 0.966 26.459 ( -1.314 -1.969 -2.455) 3.411 26.835 ( 0.409 1.543 5.201) 5.441 27.057 ( -4.414 -3.934 -14.811) 15.947 28.024 ( 6.348 -0.027 1.961) 6.644 28.120 ( 0.143 -2.237 1.380) 2.633 28.149 ( -3.634 -3.976 8.064) 9.697 28.201 ( -1.194 -5.853 0.950) 6.049 29.730 ( -1.084 7.669 24.919) 26.094 29.954 ( 11.415 8.322 -20.930) 25.251 ======================= Grid point 282 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 3.676 -26.389 3.465) 26.868 2.076 ( -2.304 -23.340 -11.013) 25.911 2.386 ( 19.026 -18.524 10.216) 28.451 2.738 ( -0.536 -4.501 -13.795) 14.520 2.805 ( 0.587 -8.686 1.017) 8.765 2.974 ( -15.052 -1.755 4.086) 15.695 3.139 ( 6.106 -12.045 -4.792) 14.329 3.179 ( -0.623 -15.659 2.146) 15.818 3.536 ( 4.640 -0.283 0.909) 4.737 3.599 ( -8.174 -2.931 7.706) 11.610 3.687 ( -1.072 -3.997 -1.829) 4.524 3.772 ( -6.372 2.638 -8.666) 11.076 4.197 ( 4.621 1.436 2.712) 5.547 4.255 ( 0.811 -5.030 1.474) 5.303 4.413 ( -1.586 6.274 0.233) 6.476 4.498 ( -8.034 -2.869 -3.319) 9.154 4.947 ( -0.514 -6.905 7.976) 10.562 4.956 ( 5.592 -7.275 -3.814) 9.937 5.114 ( -0.496 6.340 6.039) 8.771 5.199 ( 0.132 2.467 -10.431) 10.719 5.554 ( 11.953 -0.963 -4.236) 12.718 5.581 ( 9.859 1.144 0.901) 9.966 5.667 ( -0.692 -3.711 2.338) 4.440 5.806 ( -11.248 0.119 -2.319) 11.486 5.821 ( 2.458 -4.037 6.021) 7.655 6.036 ( -6.374 -7.905 -8.748) 13.403 6.226 ( -3.891 -0.233 -0.624) 3.947 6.254 ( -5.975 3.478 1.611) 7.099 6.592 ( 0.021 5.584 7.046) 8.990 6.613 ( 5.147 4.052 -4.542) 7.971 6.703 ( 7.615 1.589 2.315) 8.116 6.827 ( -3.877 -0.004 -2.574) 4.653 7.058 ( 3.360 0.705 6.078) 6.980 7.157 ( -5.794 0.018 -0.004) 5.794 7.504 ( 0.802 2.419 2.413) 3.509 7.562 ( -3.535 0.447 -0.625) 3.617 7.795 ( 6.948 1.099 4.978) 8.618 7.877 ( 0.329 -3.252 -2.604) 4.179 8.052 ( 1.093 3.372 0.518) 3.583 8.175 ( -6.823 7.731 -3.470) 10.880 8.681 ( 1.363 0.419 4.136) 4.375 8.783 ( -6.276 3.252 -4.321) 8.285 9.266 ( 4.180 -4.746 2.396) 6.763 9.319 ( -1.437 -3.465 1.650) 4.098 9.454 ( 8.245 1.115 3.614) 9.071 9.561 ( -4.044 -0.045 2.398) 4.702 9.745 ( -5.702 -2.233 6.454) 8.897 9.786 ( 3.307 -3.083 -14.566) 15.252 9.981 ( 13.932 -8.278 -1.234) 16.252 10.224 ( -16.770 -10.858 0.423) 19.983 10.731 ( 2.753 -3.424 4.699) 6.433 10.798 ( -0.000 -4.485 -4.378) 6.268 11.319 ( 1.740 -1.014 -2.408) 3.139 11.352 ( -2.353 -0.846 -2.898) 3.827 11.514 ( 10.478 1.430 4.673) 11.562 11.657 ( 1.041 1.750 3.651) 4.180 11.689 ( 0.344 0.126 5.206) 5.219 11.703 ( -2.323 1.291 -6.949) 7.440 11.888 ( -0.257 -0.069 -2.602) 2.616 11.990 ( -7.204 0.486 -4.026) 8.266 12.197 ( -3.110 -9.910 3.969) 11.119 12.243 ( -2.128 -8.451 -6.287) 10.746 12.739 ( 6.722 10.662 7.041) 14.437 12.913 ( -7.281 10.359 -6.070) 14.042 14.709 ( 6.408 0.880 -4.185) 7.704 14.765 ( -5.515 3.287 4.901) 8.078 14.936 ( 0.138 0.834 2.704) 2.833 14.998 ( -3.244 3.653 -3.112) 5.792 15.268 ( 1.028 -3.779 0.346) 3.932 15.279 ( 0.861 -3.005 -0.975) 3.274 15.501 ( 1.002 5.626 3.423) 6.661 15.547 ( 0.317 6.371 -4.207) 7.641 15.835 ( 6.787 2.132 1.291) 7.230 15.949 ( -7.300 1.300 1.280) 7.525 16.287 ( 0.932 -0.720 5.214) 5.345 16.364 ( -1.819 -0.860 -5.926) 6.259 17.306 ( 9.663 -0.230 1.440) 9.773 17.425 ( -3.621 -0.422 0.833) 3.739 17.443 ( 9.489 7.478 -3.076) 12.467 17.592 ( -11.527 12.029 5.314) 17.487 25.592 ( 1.751 -3.066 -0.303) 3.544 25.602 ( 0.108 -3.446 0.928) 3.570 25.675 ( -0.199 -0.697 0.774) 1.060 25.705 ( -2.024 -1.071 -1.347) 2.656 25.845 ( 1.812 1.193 2.236) 3.116 25.922 ( -3.389 0.009 -4.999) 6.040 26.403 ( 0.879 -0.314 1.456) 1.729 26.457 ( -2.120 -1.338 -3.854) 4.598 26.876 ( 2.042 -0.717 8.857) 9.118 27.012 ( -3.602 -1.893 -11.306) 12.016 28.093 ( 4.323 -1.817 3.306) 5.738 28.156 ( -1.665 -2.900 -1.127) 3.529 28.266 ( 0.442 -7.131 5.674) 9.124 28.317 ( -1.875 -8.733 -0.708) 8.960 29.645 ( -2.923 12.482 18.089) 22.171 29.742 ( 7.251 13.735 -18.168) 23.902 ======================= Grid point 283 (138/140) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -1.115 -17.488 -7.523) 19.070 2.363 ( 1.115 -17.488 7.523) 19.070 2.701 ( -6.044 1.877 -3.470) 7.218 2.701 ( 6.044 1.877 3.470) 7.218 2.970 ( -15.700 -11.926 -1.739) 19.793 2.970 ( 15.700 -11.926 1.739) 19.793 3.398 ( 2.269 -8.661 -4.156) 9.871 3.398 ( -2.269 -8.661 4.156) 9.871 3.627 ( -0.068 -8.890 -12.143) 15.049 3.627 ( 0.068 -8.890 12.143) 15.049 3.758 ( -1.291 -4.763 -1.530) 5.166 3.758 ( 1.291 -4.763 1.530) 5.166 4.202 ( -5.670 4.950 -6.314) 9.824 4.202 ( 5.670 4.950 6.314) 9.824 4.448 ( -6.867 -1.976 -4.660) 8.531 4.448 ( 6.867 -1.976 4.660) 8.531 5.019 ( -0.426 4.908 -10.531) 11.627 5.019 ( 0.426 4.908 10.531) 11.627 5.073 ( 1.813 -0.718 -13.105) 13.249 5.073 ( -1.813 -0.718 13.105) 13.249 5.574 ( -0.825 3.112 -3.494) 4.751 5.574 ( 0.825 3.112 3.494) 4.751 5.775 ( -2.098 -5.078 -2.686) 6.116 5.775 ( 2.098 -5.078 2.686) 6.116 6.096 ( -3.708 -8.750 -8.779) 12.937 6.096 ( 3.708 -8.750 8.779) 12.937 6.201 ( -1.794 -2.414 -3.978) 4.986 6.201 ( 1.794 -2.414 3.978) 4.986 6.536 ( 1.011 4.408 -7.227) 8.526 6.536 ( -1.011 4.408 7.227) 8.526 6.769 ( -7.637 -1.213 -4.163) 8.782 6.769 ( 7.637 -1.213 4.163) 8.782 7.104 ( -0.370 0.823 -6.041) 6.108 7.104 ( 0.370 0.823 6.041) 6.108 7.503 ( -5.055 2.323 -2.973) 6.308 7.503 ( 5.055 2.323 2.973) 6.308 7.854 ( -8.366 2.525 -5.126) 10.131 7.854 ( 8.366 2.525 5.126) 10.131 8.016 ( -1.929 2.292 -3.966) 4.970 8.016 ( 1.929 2.292 3.966) 4.970 8.700 ( 1.812 0.096 -7.045) 7.275 8.700 ( -1.812 0.096 7.045) 7.275 9.352 ( 0.534 -0.923 -3.159) 3.334 9.352 ( -0.534 -0.923 3.159) 3.334 9.513 ( -6.316 0.545 -4.076) 7.537 9.513 ( 6.316 0.545 4.076) 7.537 9.794 ( 2.955 -2.854 -12.155) 12.830 9.794 ( -2.955 -2.854 12.155) 12.830 10.232 ( -2.418 -6.213 -8.511) 10.812 10.232 ( 2.418 -6.213 8.511) 10.812 10.826 ( 0.504 -2.399 -7.765) 8.143 10.826 ( -0.504 -2.399 7.765) 8.143 11.345 ( -1.395 -0.842 -3.128) 3.527 11.345 ( 1.395 -0.842 3.128) 3.527 11.538 ( -2.995 5.898 -4.412) 7.951 11.538 ( 2.995 5.898 4.412) 7.951 11.721 ( 6.257 -3.430 -5.076) 8.757 11.721 ( -6.257 -3.430 5.076) 8.757 11.923 ( -3.264 -0.609 -4.985) 5.990 11.923 ( 3.264 -0.609 4.985) 5.990 12.293 ( 1.947 2.710 -6.405) 7.222 12.293 ( -1.947 2.710 6.405) 7.222 12.728 ( -7.720 -2.502 -4.171) 9.125 12.728 ( 7.720 -2.502 4.171) 9.125 14.718 ( 4.436 0.360 -4.328) 6.208 14.718 ( -4.436 0.360 4.328) 6.208 14.935 ( 1.038 0.646 -3.940) 4.126 14.935 ( -1.038 0.646 3.940) 4.126 15.336 ( 2.938 -2.903 -2.156) 4.659 15.336 ( -2.938 -2.903 2.156) 4.659 15.425 ( -0.074 5.290 -1.761) 5.576 15.425 ( 0.074 5.290 1.761) 5.576 15.861 ( -6.310 1.883 -1.510) 6.756 15.861 ( 6.310 1.883 1.510) 6.756 16.342 ( 0.146 -1.401 -7.242) 7.378 16.342 ( -0.146 -1.401 7.242) 7.378 17.322 ( 1.103 11.511 -6.002) 13.029 17.322 ( -1.103 11.511 6.002) 13.029 17.399 ( -1.229 -0.390 -4.565) 4.744 17.399 ( 1.229 -0.390 4.565) 4.744 25.655 ( -1.356 -2.474 -0.169) 2.826 25.655 ( 1.356 -2.474 0.169) 2.826 25.699 ( -1.911 -1.079 -1.493) 2.654 25.699 ( 1.911 -1.079 1.493) 2.654 25.871 ( 0.564 -0.102 -7.982) 8.002 25.871 ( -0.564 -0.102 7.982) 8.002 26.438 ( -2.069 -0.688 -3.652) 4.253 26.438 ( 2.069 -0.688 3.652) 4.253 26.959 ( -2.595 -1.152 -10.459) 10.837 26.959 ( 2.595 -1.152 10.459) 10.837 28.176 ( 2.732 -2.593 -8.249) 9.068 28.176 ( -2.732 -2.593 8.249) 9.068 28.433 ( -2.498 -8.482 -3.676) 9.576 28.433 ( 2.498 -8.482 3.676) 9.576 29.469 ( 3.528 14.184 -12.221) 19.052 29.469 ( -3.528 14.184 12.221) 19.052 ======================= Grid point 291 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.923 -0.000 4.927) 10.193 1.467 ( -2.425 0.000 -5.539) 6.046 2.049 ( 30.294 -0.000 11.323) 32.341 2.378 ( -3.487 0.000 2.678) 4.397 2.519 ( -5.444 0.000 -12.126) 13.292 2.683 ( -24.031 0.000 -18.955) 30.607 3.082 ( 10.426 -0.000 3.233) 10.916 3.158 ( 2.775 -0.000 0.130) 2.778 3.441 ( 3.427 -0.000 12.566) 13.025 3.563 ( -1.163 0.000 -4.050) 4.214 3.800 ( -7.866 0.000 10.583) 13.186 3.872 ( 9.183 -0.000 -15.543) 18.053 4.101 ( -10.456 0.000 0.540) 10.470 4.188 ( -7.771 0.000 -7.618) 10.882 4.403 ( 12.189 -0.000 6.862) 13.988 4.609 ( 6.253 -0.000 9.494) 11.368 4.654 ( -8.428 0.000 -5.948) 10.316 4.753 ( -2.595 0.000 -6.155) 6.680 5.240 ( 2.696 -0.000 1.575) 3.122 5.267 ( 0.929 -0.000 0.215) 0.954 5.552 ( 4.851 -0.000 11.831) 12.787 5.579 ( 8.094 -0.000 1.632) 8.257 5.664 ( 4.624 -0.000 5.444) 7.143 5.774 ( -3.562 0.000 -10.089) 10.699 5.874 ( -13.234 0.000 -5.734) 14.423 5.883 ( -9.528 0.000 -4.640) 10.598 6.243 ( 3.243 -0.000 2.957) 4.389 6.357 ( -5.179 0.000 -3.640) 6.330 6.717 ( 9.146 -0.000 -4.488) 10.188 6.725 ( 7.230 -0.000 -4.609) 8.574 6.735 ( -3.150 0.000 9.644) 10.145 6.787 ( -3.044 0.000 2.392) 3.871 7.099 ( 0.452 -0.000 -0.947) 1.050 7.132 ( -4.506 0.000 0.513) 4.535 7.570 ( 0.368 -0.000 -1.585) 1.627 7.588 ( -5.311 0.000 5.771) 7.843 7.781 ( 4.320 -0.000 -2.585) 5.034 7.791 ( 0.146 -0.000 4.880) 4.882 8.169 ( 8.251 -0.000 6.310) 10.387 8.364 ( -6.521 0.000 -4.107) 7.707 8.661 ( 6.670 -0.000 2.296) 7.054 8.827 ( -10.982 0.000 -2.753) 11.322 9.168 ( 4.055 -0.000 5.524) 6.852 9.257 ( -4.085 0.000 0.113) 4.086 9.487 ( 5.189 -0.000 5.314) 7.427 9.547 ( 7.794 -0.000 -9.967) 12.652 9.591 ( -6.663 0.000 7.585) 10.096 9.675 ( -6.507 0.000 -9.844) 11.800 9.859 ( 4.415 -0.000 -1.219) 4.580 9.954 ( -6.018 0.000 -1.560) 6.217 10.678 ( 4.987 -0.000 -2.658) 5.651 10.692 ( -0.781 0.000 3.288) 3.380 11.295 ( 3.343 -0.000 -3.454) 4.807 11.347 ( -4.073 0.000 -0.651) 4.125 11.535 ( 14.405 -0.000 1.368) 14.469 11.653 ( 1.085 -0.000 9.062) 9.127 11.687 ( 1.468 -0.000 -0.422) 1.527 11.752 ( -4.280 0.000 -5.817) 7.221 11.888 ( -4.758 0.000 -7.333) 8.742 11.930 ( -8.065 0.000 -3.133) 8.652 12.046 ( -1.901 0.000 7.050) 7.302 12.098 ( -2.567 0.000 -6.203) 6.714 12.962 ( 5.865 -0.000 9.043) 10.779 13.134 ( -5.435 0.000 -7.810) 9.516 14.716 ( 6.590 -0.000 -1.560) 6.773 14.821 ( -9.125 0.000 2.874) 9.567 15.020 ( 1.099 -0.000 8.117) 8.191 15.116 ( -0.619 0.000 -4.143) 4.189 15.158 ( 7.367 -0.000 -7.309) 10.378 15.209 ( -6.756 0.000 0.756) 6.799 15.668 ( 0.579 -0.000 4.711) 4.747 15.670 ( 3.011 -0.000 0.272) 3.023 15.869 ( 4.499 -0.000 -0.541) 4.532 15.958 ( -5.904 0.000 -1.021) 5.992 16.282 ( 2.608 -0.000 1.001) 2.793 16.338 ( -3.756 0.000 -0.580) 3.801 17.289 ( 5.600 -0.000 4.100) 6.940 17.397 ( -4.077 0.000 -1.670) 4.406 17.605 ( 19.067 -0.000 -5.741) 19.912 17.823 ( -17.622 0.000 9.394) 19.969 25.533 ( 1.413 -0.000 -0.740) 1.595 25.535 ( 0.369 -0.000 0.746) 0.833 25.655 ( -0.715 0.000 0.430) 0.834 25.676 ( -2.021 0.000 -1.373) 2.444 25.878 ( -1.683 0.000 5.111) 5.381 25.926 ( 0.252 -0.000 -7.690) 7.694 26.407 ( -0.433 0.000 0.661) 0.790 26.423 ( -0.550 0.000 -1.872) 1.951 26.872 ( -1.577 0.000 6.863) 7.042 26.941 ( 0.647 -0.000 -11.941) 11.959 28.068 ( 6.925 -0.000 -4.942) 8.507 28.095 ( -3.529 0.000 4.651) 5.838 28.134 ( -2.746 0.000 7.429) 7.920 28.148 ( 0.324 -0.000 -0.948) 1.002 29.897 ( -6.354 0.000 26.662) 27.408 30.004 ( 10.863 -0.000 -23.701) 26.071 ======================= Grid point 292 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.804 -20.893 -10.421) 23.656 1.604 ( 3.804 -20.893 10.421) 23.656 2.386 ( -21.180 -8.464 -13.697) 26.605 2.386 ( 21.180 -8.464 13.697) 26.605 2.650 ( -7.425 -18.321 -9.319) 21.855 2.650 ( 7.425 -18.321 9.319) 21.855 3.112 ( -2.454 3.173 -1.838) 4.412 3.112 ( 2.454 3.173 1.838) 4.412 3.552 ( -0.171 -2.925 -8.541) 9.029 3.552 ( 0.171 -2.925 8.541) 9.029 3.749 ( -1.876 6.507 -13.355) 14.974 3.749 ( 1.876 6.507 13.355) 14.974 4.166 ( -6.233 -5.893 -1.902) 8.786 4.166 ( 6.233 -5.893 1.902) 8.786 4.488 ( -3.906 4.192 -4.561) 7.324 4.488 ( 3.906 4.192 4.561) 7.324 4.804 ( 5.326 -10.469 -9.144) 14.885 4.804 ( -5.326 -10.469 9.144) 14.885 5.229 ( 1.514 3.685 -3.307) 5.178 5.229 ( -1.514 3.685 3.307) 5.178 5.626 ( 0.829 0.548 -9.329) 9.382 5.626 ( -0.829 0.548 9.329) 9.382 5.702 ( -5.385 0.969 -6.987) 8.875 5.702 ( 5.385 0.969 6.987) 8.875 5.826 ( -5.977 -3.047 -5.895) 8.931 5.826 ( 5.977 -3.047 5.895) 8.931 6.269 ( -2.913 2.650 -2.994) 4.947 6.269 ( 2.913 2.650 2.994) 4.947 6.695 ( 4.566 4.268 -7.216) 9.546 6.695 ( -4.566 4.268 7.216) 9.546 6.781 ( 0.082 -0.481 -5.456) 5.478 6.781 ( -0.082 -0.481 5.456) 5.478 7.108 ( 0.286 -0.126 -4.987) 4.997 7.108 ( -0.286 -0.126 4.987) 4.997 7.555 ( 0.265 1.794 -2.430) 3.032 7.555 ( -0.265 1.794 2.430) 3.032 7.817 ( 0.077 -2.143 -2.304) 3.147 7.817 ( -0.077 -2.143 2.304) 3.147 8.214 ( -8.744 6.255 -5.959) 12.292 8.214 ( 8.744 6.255 5.959) 12.292 8.740 ( -6.657 0.064 -3.822) 7.676 8.740 ( 6.657 0.064 3.822) 7.676 9.241 ( -3.096 -2.714 -2.198) 4.667 9.241 ( 3.096 -2.714 2.198) 4.667 9.530 ( -1.540 0.502 -4.077) 4.387 9.530 ( 1.540 0.502 4.077) 4.387 9.678 ( 2.914 -6.205 -8.787) 11.145 9.678 ( -2.914 -6.205 8.787) 11.145 9.947 ( -3.909 -6.342 -4.589) 8.749 9.947 ( 3.909 -6.342 4.589) 8.749 10.716 ( 1.155 -2.516 -4.953) 5.675 10.716 ( -1.155 -2.516 4.953) 5.675 11.316 ( -0.309 -0.340 -1.277) 1.357 11.316 ( 0.309 -0.340 1.277) 1.357 11.636 ( -5.228 1.005 -8.510) 10.038 11.636 ( 5.228 1.005 8.510) 10.038 11.705 ( 0.655 0.063 -3.751) 3.809 11.705 ( -0.655 0.063 3.751) 3.809 11.891 ( -6.698 -2.279 -0.692) 7.108 11.891 ( 6.698 -2.279 0.692) 7.108 12.093 ( 0.510 -3.901 -7.043) 8.068 12.093 ( -0.510 -3.901 7.043) 8.068 12.986 ( -6.290 7.476 -7.893) 12.560 12.986 ( 6.290 7.476 7.893) 12.560 14.760 ( 3.882 0.620 -1.503) 4.209 14.760 ( -3.882 0.620 1.503) 4.209 15.024 ( -2.735 4.443 -5.471) 7.559 15.024 ( 2.735 4.443 5.471) 7.559 15.216 ( 4.012 -3.473 -6.293) 8.232 15.216 ( -4.012 -3.473 6.293) 8.232 15.629 ( -0.324 5.580 -4.173) 6.975 15.629 ( 0.324 5.580 4.173) 6.975 15.910 ( -3.231 0.174 -2.798) 4.277 15.910 ( 3.231 0.174 2.798) 4.277 16.312 ( -2.039 -0.463 -3.215) 3.835 16.312 ( 2.039 -0.463 3.215) 3.835 17.357 ( -5.315 -0.958 -2.752) 6.062 17.357 ( 5.315 -0.958 2.752) 6.062 17.666 ( 3.573 6.444 -3.444) 8.133 17.666 ( -3.573 6.444 3.444) 8.133 25.555 ( 0.737 -2.070 -0.632) 2.286 25.555 ( -0.737 -2.070 0.632) 2.286 25.667 ( -0.890 -0.959 -1.275) 1.827 25.667 ( 0.890 -0.959 1.275) 1.827 25.890 ( 1.266 0.727 -6.885) 7.038 25.890 ( -1.266 0.727 6.885) 7.038 26.415 ( -0.872 -0.368 -2.134) 2.334 26.415 ( 0.872 -0.368 2.134) 2.334 26.913 ( -0.089 -1.478 -9.642) 9.755 26.913 ( 0.089 -1.478 9.642) 9.755 28.099 ( 3.234 -1.406 -5.735) 6.733 28.099 ( -3.234 -1.406 5.735) 6.733 28.186 ( 0.701 -4.853 -3.693) 6.139 28.186 ( -0.701 -4.853 3.693) 6.139 29.889 ( 7.910 8.476 -23.369) 26.087 29.889 ( -7.910 8.476 23.369) 26.087 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/46656 10.0 2978.342 1658.459 2588.008 -0.000 -267.063 -0.000 3/46656 20.0 342.457 281.263 311.105 -0.000 -8.080 0.000 3/46656 30.0 114.777 110.125 104.855 -0.000 0.647 0.000 3/46656 40.0 57.798 59.575 53.467 -0.000 1.103 0.000 3/46656 50.0 35.601 38.054 33.385 -0.000 0.989 0.000 3/46656 60.0 24.725 26.933 23.458 -0.000 0.854 0.000 3/46656 70.0 18.565 20.418 17.776 -0.000 0.740 0.000 3/46656 80.0 14.709 16.249 14.181 -0.000 0.649 0.000 3/46656 90.0 12.114 13.402 11.739 -0.000 0.574 0.000 3/46656 100.0 10.269 11.360 9.989 -0.000 0.513 0.000 3/46656 110.0 8.900 9.836 8.682 -0.000 0.461 0.000 3/46656 120.0 7.851 8.663 7.674 -0.000 0.418 0.000 3/46656 130.0 7.024 7.736 6.875 -0.000 0.381 0.000 3/46656 140.0 6.357 6.987 6.228 -0.000 0.350 0.000 3/46656 150.0 5.809 6.371 5.694 -0.000 0.323 0.000 3/46656 160.0 5.351 5.856 5.247 -0.000 0.300 0.000 3/46656 170.0 4.964 5.420 4.867 -0.000 0.279 0.000 3/46656 180.0 4.631 5.046 4.541 -0.000 0.261 0.000 3/46656 190.0 4.343 4.722 4.258 -0.000 0.246 0.000 3/46656 200.0 4.092 4.438 4.010 -0.000 0.232 0.000 3/46656 210.0 3.870 4.188 3.790 -0.000 0.219 0.000 3/46656 220.0 3.673 3.966 3.595 -0.000 0.208 0.000 3/46656 230.0 3.496 3.768 3.421 -0.000 0.198 0.000 3/46656 240.0 3.338 3.590 3.264 -0.000 0.189 0.000 3/46656 250.0 3.194 3.428 3.122 -0.000 0.181 0.000 3/46656 260.0 3.064 3.282 2.992 -0.000 0.174 0.000 3/46656 270.0 2.945 3.148 2.874 -0.000 0.167 0.000 3/46656 280.0 2.835 3.025 2.765 -0.000 0.161 0.000 3/46656 290.0 2.735 2.912 2.665 -0.000 0.156 0.000 3/46656 300.0 2.642 2.808 2.573 -0.000 0.151 0.000 3/46656 310.0 2.556 2.712 2.487 -0.000 0.146 0.000 3/46656 320.0 2.475 2.622 2.408 -0.000 0.141 0.000 3/46656 330.0 2.401 2.538 2.333 -0.000 0.137 0.000 3/46656 340.0 2.330 2.460 2.264 -0.000 0.133 0.000 3/46656 350.0 2.265 2.387 2.198 -0.000 0.130 0.000 3/46656 360.0 2.203 2.318 2.137 -0.000 0.127 0.000 3/46656 370.0 2.145 2.254 2.079 -0.000 0.123 0.000 3/46656 380.0 2.090 2.193 2.025 -0.000 0.120 0.000 3/46656 390.0 2.038 2.135 1.973 -0.000 0.118 0.000 3/46656 400.0 1.989 2.081 1.924 -0.000 0.115 0.000 3/46656 410.0 1.942 2.029 1.878 -0.000 0.112 0.000 3/46656 420.0 1.897 1.980 1.834 -0.000 0.110 0.000 3/46656 430.0 1.855 1.934 1.792 -0.000 0.108 0.000 3/46656 440.0 1.814 1.890 1.752 -0.000 0.106 0.000 3/46656 450.0 1.776 1.847 1.714 -0.000 0.104 0.000 3/46656 460.0 1.739 1.807 1.677 -0.000 0.102 0.000 3/46656 470.0 1.704 1.768 1.643 -0.000 0.100 0.000 3/46656 480.0 1.670 1.732 1.609 -0.000 0.098 0.000 3/46656 490.0 1.637 1.696 1.577 -0.000 0.096 0.000 3/46656 500.0 1.606 1.662 1.546 -0.000 0.094 0.000 3/46656 510.0 1.576 1.630 1.517 -0.000 0.093 0.000 3/46656 520.0 1.547 1.599 1.488 -0.000 0.091 0.000 3/46656 530.0 1.519 1.569 1.461 -0.000 0.090 0.000 3/46656 540.0 1.492 1.540 1.435 -0.000 0.088 0.000 3/46656 550.0 1.467 1.512 1.410 -0.000 0.087 0.000 3/46656 560.0 1.442 1.485 1.385 -0.000 0.085 0.000 3/46656 570.0 1.418 1.459 1.361 -0.000 0.084 0.000 3/46656 580.0 1.394 1.434 1.339 -0.000 0.083 0.000 3/46656 590.0 1.372 1.410 1.317 -0.000 0.082 0.000 3/46656 600.0 1.350 1.387 1.295 -0.000 0.080 0.000 3/46656 610.0 1.329 1.364 1.275 -0.000 0.079 0.000 3/46656 620.0 1.308 1.343 1.255 -0.000 0.078 0.000 3/46656 630.0 1.289 1.322 1.235 -0.000 0.077 0.000 3/46656 640.0 1.269 1.301 1.217 -0.000 0.076 0.000 3/46656 650.0 1.251 1.281 1.199 -0.000 0.075 0.000 3/46656 660.0 1.233 1.262 1.181 -0.000 0.074 0.000 3/46656 670.0 1.215 1.244 1.164 -0.000 0.073 0.000 3/46656 680.0 1.198 1.226 1.147 -0.000 0.072 0.000 3/46656 690.0 1.181 1.208 1.131 -0.000 0.071 0.000 3/46656 700.0 1.165 1.191 1.115 -0.000 0.070 0.000 3/46656 710.0 1.150 1.174 1.100 -0.000 0.069 0.000 3/46656 720.0 1.134 1.158 1.085 -0.000 0.068 0.000 3/46656 730.0 1.119 1.143 1.071 -0.000 0.067 0.000 3/46656 740.0 1.105 1.127 1.057 -0.000 0.067 0.000 3/46656 750.0 1.091 1.112 1.043 -0.000 0.066 0.000 3/46656 760.0 1.077 1.098 1.029 -0.000 0.065 0.000 3/46656 770.0 1.063 1.084 1.016 -0.000 0.064 0.000 3/46656 780.0 1.050 1.070 1.004 -0.000 0.064 0.000 3/46656 790.0 1.038 1.057 0.991 -0.000 0.063 0.000 3/46656 800.0 1.025 1.044 0.979 -0.000 0.062 0.000 3/46656 810.0 1.013 1.031 0.968 -0.000 0.061 0.000 3/46656 820.0 1.001 1.019 0.956 -0.000 0.061 0.000 3/46656 830.0 0.989 1.006 0.945 -0.000 0.060 0.000 3/46656 840.0 0.978 0.995 0.934 -0.000 0.059 0.000 3/46656 850.0 0.967 0.983 0.923 -0.000 0.059 0.000 3/46656 860.0 0.956 0.972 0.913 -0.000 0.058 0.000 3/46656 870.0 0.945 0.961 0.902 -0.000 0.058 0.000 3/46656 880.0 0.935 0.950 0.892 -0.000 0.057 0.000 3/46656 890.0 0.925 0.939 0.882 -0.000 0.056 0.000 3/46656 900.0 0.915 0.929 0.873 -0.000 0.056 0.000 3/46656 910.0 0.905 0.919 0.864 -0.000 0.055 0.000 3/46656 920.0 0.896 0.909 0.854 -0.000 0.055 0.000 3/46656 930.0 0.886 0.899 0.845 -0.000 0.054 0.000 3/46656 940.0 0.877 0.890 0.837 -0.000 0.054 0.000 3/46656 950.0 0.868 0.881 0.828 -0.000 0.053 0.000 3/46656 960.0 0.859 0.872 0.819 -0.000 0.053 0.000 3/46656 970.0 0.851 0.863 0.811 -0.000 0.052 0.000 3/46656 980.0 0.842 0.854 0.803 -0.000 0.052 0.000 3/46656 990.0 0.834 0.846 0.795 -0.000 0.051 0.000 3/46656 1000.0 0.826 0.837 0.787 -0.000 0.051 0.000 3/46656 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:51:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|